REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 -4.230 1.516 -20.977 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 -5.091 3.355 9.193 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 5.696 7.897 1.330 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 -0.443 4.818 11.834 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 6.128 19.059 -1.606 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -8.856 -5.504 -2.740 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 -5.496 -15.396 -12.077 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 -10.344 -2.679 -3.223 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 3.248 4.565 3.289 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 -2.543 3.885 -4.820 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 0.977 -0.726 4.021 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 6.003 -4.219 2.728 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 7.958 36.964 -5.989 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 -2.104 0.990 2.082 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 -12.795 -10.771 -14.544 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 11.918 -8.031 -3.899 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 -5.249 6.954 -2.423 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 -7.237 -4.722 -21.544 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 -6.487 0.460 -7.395 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 3.101 -0.776 -0.046 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 -0.767 3.074 -3.394 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 10.069 2.809 -7.772 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 5.208 -1.772 -2.160 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 13.984 8.187 5.637 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 -0.723 2.209 0.763 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 -14.847 0.766 17.329 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 -7.691 -1.248 6.147 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 -12.266 -3.066 12.186 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 -4.879 0.237 3.572 1.00 0.00 SBOX O ATOM 30 P ADE A 9 -3.242 -0.711 -4.542 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 6.655 2.358 5.775 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 -5.030 -2.500 2.775 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 -0.604 2.293 -0.444 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 -1.470 2.147 -2.041 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 -12.117 1.709 -5.694 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 10.199 -24.124 1.133 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 1.809 -5.789 -5.980 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 -12.153 -0.421 -15.479 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 -2.947 -0.559 4.422 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 5.121 -2.897 -4.249 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 0.781 4.809 1.384 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 4.953 6.961 2.737 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 -2.383 5.560 4.354 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 -27.902 13.006 -3.276 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 -4.099 -0.134 -2.283 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 -5.501 -0.616 8.054 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 6.846 0.340 3.252 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 3.663 1.169 -0.673 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 15.217 8.806 -23.980 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 7.862 -15.084 6.358 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 5.314 -7.145 -7.779 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 -3.887 -5.122 6.509 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 0.971 10.573 -4.261 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 -6.521 6.279 1.962 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 4.669 3.705 -3.130 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 3.807 4.874 2.435 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 12.935 2.594 -9.385 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 6.985 -2.072 -3.330 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 1.353 31.543 4.448 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -0.161 6.763 -1.193 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 5.301 2.686 -3.747 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 5.493 6.139 -3.619 1.00 0.00 SBOX O ATOM 63 P ADE A 10 1.124 0.934 2.605 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 -3.236 2.051 -0.655 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 7.745 2.058 3.062 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 4.296 -1.236 -4.940 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 -0.285 9.472 5.311 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 8.463 7.548 3.729 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 -10.344 -3.120 2.331 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 -1.256 4.134 -0.082 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 -0.119 -8.815 10.508 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 5.546 0.195 1.203 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 4.131 -4.275 4.913 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 23.821 16.602 17.847 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 -1.328 -4.070 -0.771 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 -6.434 9.865 -4.149 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 -23.163 14.991 -15.852 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 -2.277 2.675 9.308 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -0.457 -4.389 0.718 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 1.022 6.576 2.706 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 -1.407 4.205 0.424 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 13.150 0.778 2.652 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 1.473 3.617 16.359 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 11.163 0.180 -2.050 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 -2.244 -2.654 -7.167 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 12.196 5.116 5.641 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 6.306 -1.353 -3.683 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 -5.091 1.431 1.347 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 -0.864 3.385 1.008 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 -1.467 5.014 4.108 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 0.797 -0.719 -4.803 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 3.178 -2.852 0.034 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 -4.361 0.708 -0.605 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 -1.544 17.336 7.025 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 0.158 -4.397 5.339 1.00 0.00 SBOX O ATOM 96 P GUA A 11 -2.660 -2.545 -2.972 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 0.550 -4.110 1.117 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 -5.374 2.061 0.869 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 0.819 3.264 -0.476 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 -3.890 0.698 2.974 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 -7.051 7.650 6.838 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 -25.546 -47.923 -4.452 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 1.207 -1.787 5.560 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 5.166 -2.390 26.270 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 4.420 -5.399 0.945 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 9.023 -3.664 5.868 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 -18.473 7.054 4.747 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 1.328 -1.724 6.328 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 3.989 8.279 -2.231 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 16.771 -0.797 -13.670 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 7.200 -0.631 -2.862 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 4.083 1.545 -3.634 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 -2.075 -0.161 2.146 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 5.787 -2.229 8.949 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 -6.404 3.441 -2.749 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 -3.210 22.855 -4.464 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 1.959 3.287 -3.940 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 1.263 -4.871 0.294 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 5.384 17.151 -6.037 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 -14.101 -11.931 4.731 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 2.583 -0.424 -1.814 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 -3.201 -0.206 -2.539 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 -8.536 -3.158 3.138 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 -4.215 12.309 -16.253 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 2.750 -2.592 -1.784 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 3.154 -11.089 -1.128 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 -4.117 3.197 3.435 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 -19.224 8.678 14.724 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 5.533 -5.916 4.933 1.00 0.00 SBOX O ATOM 130 P ADE A 12 1.562 -3.747 3.030 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 -1.519 4.251 -1.042 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 2.306 -0.416 -1.397 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 2.061 -5.666 -7.407 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 7.101 -1.502 -6.874 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 -13.546 9.189 -21.027 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 -15.919 -16.805 4.046 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 0.254 -0.564 7.297 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 13.912 2.374 19.206 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 -3.390 4.323 -1.057 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 -5.305 -1.551 2.908 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 15.247 -7.168 -10.890 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 7.506 5.035 0.980 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 8.524 -4.027 4.496 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 -15.277 4.941 25.986 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 -0.657 -1.587 -1.759 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 -4.356 1.819 3.857 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 -1.288 2.973 -4.918 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 7.546 1.589 -0.812 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 -17.174 -12.882 14.498 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 28.687 -5.588 -4.100 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 1.171 -0.716 0.883 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 7.675 8.405 -9.695 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 -2.039 -5.783 3.460 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 -6.712 -5.522 -2.735 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 -3.849 3.978 0.370 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 -6.909 4.251 0.968 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 19.740 -15.722 32.155 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 -0.262 -2.893 -0.568 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 0.903 8.719 -8.932 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 -3.599 -1.517 2.962 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 7.103 1.555 -21.918 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 -2.173 -1.875 4.732 1.00 0.00 SBOX O ATOM 163 P GUA A 13 -0.600 3.281 -1.613 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 -3.798 0.257 0.345 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 3.190 2.301 2.263 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 0.284 0.325 4.319 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 8.931 -0.424 1.052 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 33.739 -24.282 11.132 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 -4.010 -10.482 12.540 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 0.055 4.170 3.657 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 -26.151 -19.032 21.401 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 9.116 8.144 -4.069 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 7.920 5.422 -1.984 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 -13.447 -1.421 3.192 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 -3.909 3.297 -0.066 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 -4.275 -4.594 -0.426 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 -6.244 -11.318 17.407 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 6.108 -2.085 -7.861 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 1.927 -7.679 -0.709 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 0.402 -3.502 -3.004 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 -2.154 -1.161 2.425 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 -4.777 1.197 -2.276 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 4.378 -7.261 -12.838 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 6.757 -5.113 1.595 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 10.040 -3.867 -10.213 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 19.643 -30.759 12.491 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 9.622 -3.418 -8.456 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 -2.637 0.900 -1.543 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 6.688 -3.259 -8.822 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 1.794 -3.024 -6.712 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 -7.712 -9.096 -0.979 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 1.540 6.535 -0.752 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 -0.669 -10.148 -5.243 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 -8.489 -2.281 -2.993 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 -23.221 18.302 -3.262 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 -5.502 -7.481 -2.441 1.00 0.00 SBOX O ATOM 197 P ADE A 14 0.840 3.050 1.686 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 -5.047 -2.517 1.742 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 -1.278 7.691 -1.757 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 2.850 8.590 6.803 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 3.731 4.398 -1.784 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 0.788 -5.461 13.919 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 14.163 -19.937 -2.048 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 0.428 -0.097 2.756 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 -0.460 4.197 28.028 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 0.113 1.744 2.348 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 -15.255 1.447 2.680 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 -1.126 -2.498 -1.648 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 -0.075 0.224 -0.499 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 3.740 9.070 -3.336 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 2.033 -17.290 -6.632 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 -3.093 3.117 0.228 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 3.276 2.024 -0.877 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 3.414 -3.170 -0.088 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 -5.326 1.950 -6.061 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 -5.043 -15.214 -6.078 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 -13.866 -4.754 -7.939 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 5.137 -2.699 4.537 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 -1.467 5.190 9.837 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 27.638 15.862 2.244 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 -3.386 2.163 -2.699 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 -2.336 4.564 2.974 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 3.370 -5.462 1.135 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 8.071 7.935 5.952 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 -3.145 -10.334 -7.460 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 22.282 -27.930 3.852 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 5.485 4.574 4.111 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 2.215 8.379 -1.085 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 -4.001 5.507 6.806 1.00 0.00 SBOX O ATOM 230 P GUA A 15 -3.155 0.454 0.111 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 4.119 2.236 0.564 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 1.941 3.432 1.590 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 0.184 -1.376 -3.780 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 0.938 0.551 -2.120 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 2.726 -13.177 -4.523 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 -20.545 -31.207 -10.154 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 -8.898 -4.993 3.952 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 11.115 11.079 9.429 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 -0.947 1.620 2.412 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 -4.813 -3.077 6.277 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 -1.114 -9.821 14.038 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 10.692 8.203 4.577 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 -3.991 4.506 -3.362 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 -18.331 35.220 -6.123 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 -2.227 0.280 0.255 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 -8.232 1.367 -0.206 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 -5.267 5.179 -4.440 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 -3.823 2.745 -7.146 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 4.623 -1.113 0.140 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 -3.101 1.225 6.985 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 -7.625 -3.425 10.154 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 -3.346 1.276 -1.119 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 -2.769 -28.736 -20.627 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 -13.924 1.088 7.352 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 -6.113 3.496 -1.112 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 -1.796 -5.543 4.506 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 5.172 -6.833 -4.266 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 -5.854 -16.908 -24.395 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 -9.622 6.334 -6.853 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 -12.799 -15.846 -11.904 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 4.024 1.530 0.172 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 -2.497 -16.993 5.655 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 3.609 -3.977 -2.838 1.00 0.00 SBOX O ATOM 264 P GUA A 16 -5.839 4.728 -1.550 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 10.098 0.273 -7.159 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 4.821 -0.931 4.237 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 -4.243 -1.321 -4.692 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 -0.386 0.887 8.099 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 -9.956 -2.344 3.394 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 8.528 0.583 -11.180 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 11.272 -2.403 -2.343 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 -6.768 1.210 15.467 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 -1.521 3.220 0.867 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 -0.753 1.430 3.859 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 29.657 31.202 -5.311 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 -0.391 6.219 -9.107 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 -4.525 6.069 0.202 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 8.463 -18.736 -26.778 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 -0.971 3.952 4.542 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 -1.633 -3.541 1.555 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 0.480 -2.205 -4.132 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 -2.428 1.131 -5.932 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 -5.913 -1.443 -1.634 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 -24.632 -6.160 8.858 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 -0.727 -1.725 -1.799 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 1.620 -0.828 3.636 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 -2.501 -2.647 5.984 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 -14.579 5.880 -32.363 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 2.158 -1.191 4.363 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 6.519 -6.044 0.250 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 -0.287 -3.805 -4.363 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 1.749 -5.024 1.426 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 -1.610 2.433 -3.435 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 -13.526 -5.894 15.427 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 -1.325 5.056 -0.996 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 12.280 23.447 -0.486 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 -0.020 -0.903 3.328 1.00 0.00 SBOX O ATOM 298 P URA A 17 0.348 2.462 2.120 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 1.535 2.028 3.798 1.00 0.00 SBOX ATOM 300 O2P URA A 17 -0.234 -1.256 1.607 1.00 0.00 SBOX ATOM 301 O5' URA A 17 9.186 -4.235 -4.721 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 4.915 -1.051 6.051 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 23.946 14.592 3.943 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 5.406 -10.131 1.013 1.00 0.00 SBOX ATOM 305 C4' URA A 17 -8.168 3.379 2.654 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 7.520 -21.117 21.948 1.00 0.00 SBOX ATOM 307 O4' URA A 17 3.228 1.840 0.746 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 -0.416 -0.859 -2.107 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 -7.174 -5.516 -1.203 1.00 0.00 SBOX ATOM 310 N1 URA A 17 1.035 -5.806 4.411 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 12.374 0.264 -8.557 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 -20.550 -0.649 12.094 1.00 0.00 SBOX ATOM 313 C5 URA A 17 -5.542 -4.147 -2.342 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 3.482 9.829 -20.050 1.00 0.00 SBOX ATOM 315 C4 URA A 17 1.620 5.807 -5.688 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 8.629 1.506 4.758 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 -2.286 5.387 4.474 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 -17.115 3.505 8.963 1.00 0.00 SBOX ATOM 319 C2 URA A 17 0.539 0.945 1.126 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 1.673 0.115 1.624 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 1.922 0.003 1.424 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 -4.659 -9.439 12.089 1.00 0.00 SBOX ATOM 323 C2' URA A 17 3.460 -4.010 0.985 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 -4.338 1.901 -14.395 1.00 0.00 SBOX ATOM 325 O2' URA A 17 3.362 5.236 5.349 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 27.036 4.369 -4.945 1.00 0.00 SBOX ATOM 327 O3' URA A 17 1.454 -4.292 -2.275 1.00 0.00 SBOX O ATOM 328 P GUA A 18 -3.103 0.849 0.398 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 0.462 -0.347 -5.736 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 1.432 4.606 -5.145 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 3.572 -4.786 2.964 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 0.552 0.648 4.045 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 -14.745 8.566 -2.781 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 1.507 2.650 7.851 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -7.099 -3.413 3.100 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 -1.655 -3.268 -0.844 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 1.837 -7.315 -5.716 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 2.773 0.015 -6.605 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 18.514 -7.594 -9.131 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 0.723 5.803 -3.262 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 -2.380 -1.224 1.781 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 11.218 -11.751 -1.407 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 0.371 -2.876 0.987 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 -7.909 0.887 1.045 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 -0.271 10.313 1.851 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 -3.401 0.117 -3.006 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 2.706 2.362 -5.229 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 0.444 -0.871 15.312 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 6.819 10.694 -3.976 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 -5.181 6.437 1.926 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 8.251 -18.040 4.675 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 6.148 34.265 10.751 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 -1.909 -1.473 -0.341 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 5.156 0.329 -9.735 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 -3.855 -5.202 -5.032 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 -16.334 10.706 11.314 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 -0.461 -0.872 -0.520 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 11.929 2.819 -7.345 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 -3.469 -2.574 -0.816 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 -11.429 -9.299 -4.522 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 10.749 2.370 0.697 1.00 0.00 SBOX O ATOM 362 P GUA A 19 0.523 -1.321 0.875 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 -1.390 1.324 -2.453 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 -0.008 3.243 -3.120 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 -6.980 -9.900 -2.506 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 -2.663 2.255 -5.533 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 -4.051 -5.608 -0.443 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 -10.234 13.120 6.604 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 1.680 -0.167 3.285 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 6.651 -31.986 -22.206 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 -2.368 -8.734 -0.945 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 -9.050 -8.222 2.050 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 -6.225 6.795 10.692 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 -2.307 1.192 2.710 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 -10.268 -5.960 2.052 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 -0.351 -27.522 1.628 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 -1.215 -1.719 -0.558 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 3.253 0.546 -0.027 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 -5.243 -3.579 -1.855 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 -6.979 0.559 2.555 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 -6.131 -1.557 0.114 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 -10.653 1.690 14.557 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 -2.779 -4.274 0.199 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 0.151 3.377 0.333 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 -0.223 -18.810 -27.173 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 1.081 5.368 5.208 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 3.583 3.503 1.200 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 7.118 1.002 -4.016 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 -0.169 -0.195 4.200 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 7.169 9.218 6.863 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 -1.407 7.653 -1.080 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 5.181 20.032 -13.016 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 3.986 -2.291 -2.911 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 1.691 -5.189 -3.277 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 -9.058 3.684 8.483 1.00 0.00 SBOX O ATOM 396 P ADE A 20 1.301 -7.441 2.348 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 0.291 2.252 -3.379 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 -1.584 3.401 -2.219 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 -2.439 -4.065 -3.619 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 6.141 8.632 -5.225 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 12.200 26.469 -17.445 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 -5.312 -16.558 -36.858 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 -6.820 6.072 -1.564 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 -28.568 -19.373 -1.515 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 -4.705 -7.131 -5.601 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 2.438 -7.778 5.702 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 -16.644 -3.931 -0.113 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 -0.231 -0.143 3.731 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 5.219 -0.811 -3.879 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 16.555 -16.972 3.260 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 11.465 2.183 -3.994 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 -3.355 0.863 -0.168 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 -1.715 13.820 -5.687 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 7.881 1.631 0.209 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 14.210 -8.015 14.583 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 -0.837 6.896 9.740 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 -4.927 3.710 9.902 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 7.958 -3.452 2.923 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 -9.782 5.581 10.665 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -4.318 1.142 2.266 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 -3.562 -6.475 3.103 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 0.558 0.927 7.586 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -36.954 -16.296 -19.868 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 0.382 -0.668 -6.362 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -14.573 1.063 -1.813 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 0.495 2.430 -2.588 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 -10.258 -17.392 -8.794 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 3.293 2.210 2.945 1.00 0.00 SBOX O ATOM 429 P GUA A 21 -0.025 4.112 1.681 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 5.154 2.926 -2.362 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 3.787 0.608 -1.178 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 0.702 2.306 -0.487 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 1.665 -1.571 -1.536 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 -10.576 28.753 0.671 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 -22.330 -7.370 14.807 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 -2.225 -2.184 -5.522 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 -30.508 -22.297 27.939 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 -2.010 0.073 -5.840 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 -4.054 4.429 1.843 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 -3.130 8.272 15.342 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 -4.416 -0.924 -2.381 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 1.246 -8.874 -2.702 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 2.751 -14.574 -3.178 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 -0.524 6.127 1.424 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 6.518 -2.300 -4.438 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 1.528 -5.600 3.233 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 -4.045 -1.841 4.763 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 2.408 6.571 -1.689 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 3.253 3.301 2.003 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 -3.435 -5.194 3.150 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 0.253 -1.693 0.635 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 3.390 2.331 -17.899 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 -53.967 5.788 -4.801 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 -5.992 -4.274 1.994 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 1.063 5.123 -1.518 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 -2.654 5.575 1.494 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 -4.898 13.477 -14.483 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 -1.783 6.010 3.347 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 11.760 -9.387 -16.307 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 3.983 -3.580 -2.672 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 -1.840 5.593 11.797 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 0.254 5.017 0.095 1.00 0.00 SBOX O ATOM 463 P GUA A 22 -1.961 0.513 -2.674 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 -0.843 -1.183 -5.088 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 0.853 3.497 -3.674 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 -8.220 -4.226 -4.528 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 -11.078 2.283 1.251 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 16.395 -6.538 -10.140 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 -24.687 -5.295 3.435 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 -3.410 -0.556 1.946 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 0.942 1.186 3.550 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 -4.727 -4.435 -4.180 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 -2.344 4.216 3.360 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 6.158 -1.545 -22.704 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 2.812 -3.026 -5.701 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 1.687 -2.034 2.645 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 -28.026 45.979 -4.332 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 -4.060 6.741 3.870 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 -6.180 -4.833 -4.686 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 -1.669 4.947 -1.716 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 -0.778 -3.866 1.748 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 -5.757 2.450 -5.279 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 -3.472 -9.673 12.023 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 -1.055 7.021 3.528 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 -1.015 2.629 -0.618 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 6.720 7.787 -20.801 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 -45.997 -23.253 -3.475 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 -1.048 4.295 -7.121 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 8.572 1.912 -1.357 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 4.077 1.854 -1.125 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 -9.831 -15.940 7.221 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 -5.317 -3.929 11.352 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 -40.199 7.281 -14.753 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 -0.406 4.105 0.644 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 2.113 2.242 -8.657 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 1.463 3.264 4.989 1.00 0.00 SBOX O ATOM 497 P GUA A 23 -1.856 4.705 -0.280 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 1.606 1.237 0.714 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 3.159 -8.882 0.722 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 -2.449 3.179 -0.848 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 -3.166 -8.388 -3.347 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 11.375 0.595 16.836 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 9.118 7.367 -5.762 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 6.770 1.059 -6.419 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 4.448 19.963 -23.035 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 2.202 6.299 2.847 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 -0.693 -6.116 7.648 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 -3.216 -16.703 8.062 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 -3.406 -5.345 -1.525 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 -5.241 3.605 -1.074 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 7.697 -8.084 -0.736 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 0.864 1.181 -1.981 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 -4.028 0.283 -4.159 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 -3.195 2.518 -5.534 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 -1.809 7.662 8.455 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 -0.708 -3.044 1.482 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 -10.164 -3.148 4.377 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 -7.828 0.207 4.390 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 -2.668 -2.907 2.808 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 -17.641 -0.798 -2.374 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 -6.464 33.036 -9.544 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 5.632 -6.830 1.726 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 0.227 0.816 -7.410 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 1.483 8.099 -2.925 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 6.191 7.094 9.460 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 3.895 3.346 6.570 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 25.166 7.319 -6.222 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 -1.848 -7.320 2.137 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 9.696 4.383 7.127 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 -0.520 -0.931 0.551 1.00 0.00 SBOX O ATOM 531 P ADE A 24 -2.794 0.665 -1.184 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 8.345 4.799 -3.933 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 5.625 -1.932 1.482 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 -4.765 -2.060 -4.858 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 -9.313 -7.631 -11.936 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 5.459 -17.440 13.920 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 0.093 3.391 5.428 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 8.874 4.087 5.332 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 9.156 4.280 9.276 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 -0.378 -4.092 7.129 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 -0.095 -2.154 0.390 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 -3.488 -13.473 2.620 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 5.188 0.676 -2.066 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 1.200 1.965 -2.229 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 -8.241 -6.890 -6.355 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 -1.434 1.392 1.241 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 0.186 -1.880 3.210 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 6.155 4.952 1.819 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 3.613 2.868 3.841 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 -12.670 -2.775 2.228 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 10.230 -3.696 -17.543 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 -7.094 6.429 -7.987 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 -5.295 -6.693 -5.853 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 -9.828 -6.173 2.225 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 -4.279 1.500 5.971 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 -4.791 1.042 5.189 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 4.125 -1.108 1.982 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 -7.854 16.425 -14.273 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 4.877 4.984 3.740 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 2.199 3.604 11.279 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 -2.252 -7.947 -0.912 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 -0.630 8.042 10.827 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 -0.934 3.819 -9.911 1.00 0.00 SBOX O ATOM 564 P CYT A 25 0.204 0.482 1.642 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 4.616 -8.777 -2.670 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 -1.330 -4.559 -1.310 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 2.540 1.887 -5.089 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 -4.336 -5.040 0.799 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 -13.728 8.573 -9.524 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 17.928 -34.571 14.111 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 3.962 -1.184 -0.509 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 8.306 17.074 -7.108 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 -1.980 3.276 -1.964 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 -4.199 6.818 6.255 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 20.956 22.457 10.309 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 -5.686 1.688 -8.508 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 -2.845 5.144 10.443 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 -3.172 -12.236 -7.442 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 -1.978 -0.636 1.820 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 8.977 9.738 1.669 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 -2.171 -0.650 -4.617 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 -3.070 9.259 4.196 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 -8.399 -0.715 -13.964 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 -1.683 -25.830 -15.884 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 -8.151 0.604 -4.631 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 2.895 1.279 4.204 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 0.002 -0.943 5.112 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 -1.871 -3.083 -1.939 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 15.655 -1.186 -16.138 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 7.804 -12.335 -2.780 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 -10.287 -4.894 13.237 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 -8.013 0.942 4.699 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 -12.520 -5.993 12.520 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 6.450 5.591 -1.584 1.00 0.00 SBOX O ATOM 595 P URA A 26 -4.454 -0.781 0.304 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 3.090 -3.050 1.228 1.00 0.00 SBOX ATOM 597 O2P URA A 26 7.860 3.512 -1.498 1.00 0.00 SBOX ATOM 598 O5' URA A 26 2.827 -0.320 -3.207 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 6.673 -7.218 -2.786 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 -1.881 -11.867 0.610 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 14.563 7.796 8.031 1.00 0.00 SBOX ATOM 602 C4' URA A 26 3.608 4.681 -7.208 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 29.618 25.480 16.005 1.00 0.00 SBOX ATOM 604 O4' URA A 26 -2.037 -4.822 -0.256 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 7.377 -3.233 -2.153 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 -7.667 -12.669 -23.997 1.00 0.00 SBOX ATOM 607 N1 URA A 26 3.410 -5.335 3.801 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 -6.147 -1.132 -6.397 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 3.602 -9.760 12.824 1.00 0.00 SBOX ATOM 610 C5 URA A 26 4.236 1.884 -0.657 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 -15.731 2.461 2.457 1.00 0.00 SBOX ATOM 612 C4 URA A 26 5.717 6.963 5.926 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 2.893 -0.330 0.032 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 2.789 6.101 -4.534 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 23.920 -30.778 -41.504 1.00 0.00 SBOX ATOM 616 C2 URA A 26 2.123 -8.221 3.302 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 6.056 -0.177 2.781 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 -3.988 2.554 2.556 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 -19.867 -7.373 -8.668 1.00 0.00 SBOX ATOM 620 C2' URA A 26 1.736 -4.538 2.893 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 -3.584 -3.800 8.958 1.00 0.00 SBOX ATOM 622 O2' URA A 26 -3.123 0.418 -1.793 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 -8.491 6.428 -11.649 1.00 0.00 SBOX ATOM 624 O3' URA A 26 -3.424 1.954 -0.941 1.00 0.00 SBOX O ATOM 625 P GUA A 27 1.085 -0.170 -3.456 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 -0.245 0.997 -3.547 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 -7.647 2.489 -3.021 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 -1.621 -1.008 -0.618 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 -1.971 -8.188 10.829 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 -47.069 -28.085 18.883 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 -3.925 16.848 -5.008 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 -4.219 -1.398 4.004 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 -5.134 -1.142 5.265 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 -1.763 -4.156 5.193 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -0.285 -9.737 1.544 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 1.314 -6.648 5.737 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 -7.159 -8.010 -3.504 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 2.949 4.130 -1.116 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 1.155 -3.653 -2.950 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 5.466 1.473 2.918 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 10.574 -1.711 9.058 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 5.605 -0.891 -3.077 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 -3.687 2.234 1.048 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 5.647 4.028 2.506 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 -2.497 -13.601 7.550 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -6.956 1.725 -0.839 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 -1.227 -0.350 -2.184 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 -0.560 0.542 -3.821 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 -3.802 -0.852 2.724 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 -10.778 2.874 -8.040 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 -0.635 4.814 2.308 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 1.440 5.230 -4.631 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 -17.690 6.740 -17.729 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 0.919 7.356 5.228 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 24.737 24.146 -9.087 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 5.874 -6.519 -2.137 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 4.642 3.142 -3.647 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 0.420 -4.851 1.612 1.00 0.00 SBOX O ATOM 659 P GUA A 28 -2.833 2.274 4.576 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 -10.799 3.502 -4.662 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 -6.782 2.499 1.658 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 -0.734 -1.251 3.149 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 1.712 -2.733 3.874 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 -23.862 20.420 -7.053 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 -0.565 3.486 29.500 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 1.223 -0.269 9.245 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 -16.538 3.201 -25.328 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -3.483 -2.730 0.072 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 4.410 -2.241 -1.366 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 10.710 -20.405 -7.171 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 2.157 -1.229 1.644 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 6.299 -0.707 -1.041 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 10.517 6.758 0.215 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 -9.615 4.261 -3.283 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 5.606 -4.053 5.732 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 -6.237 5.659 2.055 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 -1.635 1.217 12.878 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 -4.324 -5.695 -6.374 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 12.638 -1.861 6.298 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 -2.663 1.271 10.570 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 0.307 0.384 -3.225 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 10.127 -7.842 16.504 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 9.430 -13.387 2.685 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 1.856 6.495 3.916 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 -1.296 -5.624 2.804 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 -3.011 -0.454 -2.858 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 11.420 -4.565 4.950 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 8.462 -8.452 -4.387 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 18.885 -0.244 8.730 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 0.923 6.034 -3.934 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 8.694 5.204 3.887 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 -1.535 -2.054 5.660 1.00 0.00 SBOX O ATOM 693 P CYT A 29 1.312 0.952 3.321 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 5.591 2.187 -0.438 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 0.771 -3.046 -0.864 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 3.843 7.409 -6.398 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 0.426 2.003 3.930 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 -1.070 17.804 22.510 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 33.831 -31.611 -2.050 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 1.831 -1.759 -6.552 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 -0.791 10.502 -0.346 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 5.022 -3.877 0.662 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 -0.492 -4.988 2.032 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 -14.699 -24.745 -3.639 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 9.442 -4.671 2.181 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 2.998 1.505 -3.877 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 -2.573 -4.059 5.149 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 -0.136 -1.310 -3.010 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 -4.776 -5.381 -7.904 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 -2.040 2.059 1.186 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 -4.053 9.838 -4.505 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 4.218 -5.504 17.787 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -19.592 -23.141 12.094 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 -4.400 -3.219 -7.650 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 -3.692 -1.535 5.344 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 -3.461 5.605 -3.200 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 6.385 2.328 -4.843 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 2.225 21.160 -9.803 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 -6.104 2.949 -1.998 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 -11.486 4.471 -3.846 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 -7.957 -1.327 2.344 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 -3.565 1.347 1.257 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 2.448 4.472 4.792 1.00 0.00 SBOX O ATOM 724 P CYT A 30 3.877 6.539 -2.716 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 0.304 -3.418 3.397 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 5.405 3.437 4.405 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 -5.345 -2.103 0.297 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 1.924 -1.961 -0.490 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 11.455 11.004 3.922 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 1.070 13.748 0.035 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 -0.548 -1.162 0.600 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 -3.547 5.757 -11.163 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 2.732 -0.903 4.817 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 -4.759 6.383 2.275 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 3.059 8.931 4.108 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 -8.026 2.458 0.409 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 -3.486 1.098 0.053 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 0.556 6.596 -13.060 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 2.029 -5.524 8.536 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 -5.459 -5.890 1.305 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 -2.715 -0.412 1.606 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 5.963 -5.944 3.978 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 -1.557 -4.163 8.057 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 28.438 6.221 11.777 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 1.855 1.406 -4.101 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 4.284 -6.695 -3.522 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 -1.689 2.488 1.237 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 -3.906 -2.675 4.208 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 -10.369 11.720 -6.247 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 -2.154 7.156 -5.201 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 4.362 4.724 -12.018 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 -1.845 -3.157 -4.354 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 3.227 4.765 -15.739 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 4.769 7.207 -0.433 1.00 0.00 SBOX O ATOM 755 P CYT A 31 -0.921 2.816 0.080 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 6.348 -0.494 -2.269 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 -0.822 2.418 3.712 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 7.595 -3.131 -1.143 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 4.969 5.977 1.778 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 -6.005 2.970 -9.516 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 -2.051 -6.161 3.396 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 -2.355 -12.071 1.096 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 1.003 -2.783 -2.852 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 7.889 5.302 2.947 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 6.156 -2.850 4.786 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 -6.798 -2.240 4.322 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 -3.001 0.175 -6.462 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 9.652 -3.077 -2.509 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 -0.717 14.106 -2.036 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 -4.598 0.850 -2.707 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 -17.001 9.986 -20.026 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 -5.477 -2.686 -3.420 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 2.308 1.147 2.809 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 3.105 -10.353 7.282 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 -13.696 -9.051 28.252 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 0.657 0.206 8.309 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 -9.534 1.815 0.323 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 7.795 -4.877 -1.507 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 7.299 -1.886 -4.113 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 -7.360 -4.567 -17.896 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 -5.811 -3.348 7.281 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 -5.204 -2.950 11.863 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 0.804 -0.624 -2.880 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 7.885 -26.007 -0.007 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 4.707 -0.508 -1.645 1.00 0.00 SBOX O ATOM 786 P GUA A 32 -0.581 2.202 -4.477 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 1.782 -3.719 -9.240 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 2.880 1.434 0.469 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 1.204 0.612 3.059 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 3.012 -8.266 -0.547 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 -14.599 -10.859 -6.238 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 -0.564 -13.164 -1.786 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 7.946 0.552 5.891 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 25.119 10.274 -12.058 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 2.078 -7.500 8.399 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 0.575 1.093 2.441 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 -8.797 2.931 10.110 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 12.461 -1.046 -4.037 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 6.958 0.516 -4.568 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 8.789 -1.988 -22.489 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 -4.310 -4.638 -2.806 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 -0.697 2.419 -1.936 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 8.255 1.365 2.907 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 -0.521 4.414 2.375 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 -2.585 -3.744 -1.071 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 -0.488 18.493 -9.992 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 2.057 4.452 2.552 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 0.699 2.236 2.819 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -8.001 -15.680 -4.486 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 -27.039 -6.250 7.916 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 3.964 2.469 -0.074 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 3.779 -2.003 -0.407 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 -5.356 0.449 2.633 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 -8.763 -0.826 5.117 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 -6.395 2.141 9.817 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 -2.103 -9.533 19.768 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 0.581 -6.522 -7.997 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 4.251 3.078 -18.458 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 -2.023 -2.557 4.577 1.00 0.00 SBOX O ATOM 820 P ADE A 33 -1.594 -2.477 1.523 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 -0.532 -3.118 -3.047 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 -1.169 0.700 -0.679 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 -2.478 -4.225 0.394 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 -3.773 3.235 -7.050 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 -2.195 9.485 10.422 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 8.965 3.591 -2.097 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 -3.567 -5.087 3.557 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 -20.243 -23.808 -7.483 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 0.680 -7.260 -5.044 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 4.077 6.453 -7.719 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 -13.296 6.113 -2.121 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 -1.725 2.972 1.389 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 0.396 1.673 5.522 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 -13.339 1.975 7.971 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 -5.664 -4.525 1.665 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 -1.103 6.860 -2.433 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 -1.262 -2.541 -0.106 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 -1.350 4.896 -3.591 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 -4.494 -6.683 -22.590 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 3.088 -0.452 -0.243 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 3.260 -0.471 -3.960 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 6.195 -7.119 0.369 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 11.960 -7.702 12.415 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 1.413 13.765 7.750 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 4.272 7.238 3.718 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 2.782 -2.220 8.418 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 -15.987 -2.917 -8.651 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 0.505 5.897 -0.847 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 4.969 6.076 -15.509 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 -0.705 -2.370 -4.755 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 -12.973 -19.982 -0.294 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 -4.604 6.148 0.136 1.00 0.00 SBOX O ATOM 853 P URA A 34 -2.098 0.001 -1.646 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 6.405 -2.175 6.815 1.00 0.00 SBOX ATOM 855 O2P URA A 34 3.358 2.868 -3.556 1.00 0.00 SBOX ATOM 856 O5' URA A 34 0.617 -4.410 -9.845 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 -5.133 8.166 3.501 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 0.356 12.741 3.398 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 10.385 0.963 25.086 1.00 0.00 SBOX ATOM 860 C4' URA A 34 -5.468 4.758 1.157 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 0.784 2.041 20.882 1.00 0.00 SBOX ATOM 862 O4' URA A 34 4.106 4.490 -2.232 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 -2.843 0.615 -2.986 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 -6.162 11.251 5.324 1.00 0.00 SBOX ATOM 865 N1 URA A 34 5.775 9.545 -4.628 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 3.446 1.371 4.323 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 4.965 0.015 0.979 1.00 0.00 SBOX ATOM 868 C5 URA A 34 4.434 1.212 2.603 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 -11.635 -14.656 -24.036 1.00 0.00 SBOX ATOM 870 C4 URA A 34 2.729 9.999 -1.862 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 -1.083 0.025 -3.628 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 5.983 1.336 -0.787 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 19.528 -10.487 -16.644 1.00 0.00 SBOX ATOM 874 C2 URA A 34 3.508 -2.070 -1.658 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 -3.560 -2.971 -4.325 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 0.639 -1.126 0.764 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 1.164 0.458 21.890 1.00 0.00 SBOX ATOM 878 C2' URA A 34 -1.803 -3.290 -4.393 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 16.861 -27.828 3.370 1.00 0.00 SBOX ATOM 880 O2' URA A 34 1.353 0.717 1.650 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 5.125 -19.738 11.068 1.00 0.00 SBOX ATOM 882 O3' URA A 34 -0.244 0.543 0.470 1.00 0.00 SBOX O ATOM 883 P GUA A 35 -0.614 -0.649 3.594 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 0.580 -7.244 8.599 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 -2.917 -1.724 -1.860 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 -4.977 -3.229 -4.644 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 -4.218 8.841 -1.155 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 5.458 -4.747 5.932 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 11.953 1.229 5.269 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 0.355 0.873 -6.965 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 13.422 -1.587 4.184 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 -3.331 1.868 6.589 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 1.205 -6.449 -2.682 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 -16.178 -29.722 12.275 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 -6.223 -4.209 -2.199 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 4.799 -8.288 -0.525 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 0.749 -10.942 19.852 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 7.095 -4.960 -1.591 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 -1.250 -5.693 4.877 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 -2.241 3.630 1.803 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 2.118 -6.092 2.479 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 -2.152 2.173 1.126 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 9.023 -21.149 -1.766 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 0.241 1.929 3.973 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 4.032 -1.109 1.243 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 -12.962 1.961 -38.453 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 -5.595 -3.804 -0.612 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 2.913 0.479 -2.262 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 -9.488 3.837 -2.897 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 1.523 0.265 -7.337 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 1.608 -0.780 -6.545 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 -3.943 1.717 -1.853 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 9.083 -13.680 -3.834 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 -0.493 -3.400 3.208 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 -7.801 2.025 -2.089 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 -4.792 2.576 0.342 1.00 0.00 SBOX O ATOM 917 P ADE A 36 -0.199 -1.045 0.726 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 -3.484 -1.667 0.389 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 -1.302 2.331 -0.241 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 -3.250 -1.246 -2.515 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 1.013 -7.362 -0.985 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 3.007 5.666 -5.454 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 -4.360 16.017 -8.519 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 1.729 2.996 -0.636 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 33.541 -21.206 19.262 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 2.903 -0.104 0.764 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 4.503 0.326 -1.952 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 0.472 -3.570 1.236 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 -0.467 4.994 -7.115 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 -0.254 6.505 -5.219 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 4.934 -5.628 -19.180 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 1.326 -0.603 6.168 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 3.868 1.390 2.082 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 8.289 3.189 -9.571 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 0.692 -3.851 3.581 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 0.152 -0.907 -9.981 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 -17.798 -8.581 21.783 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 2.380 1.664 -3.972 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 -1.561 1.136 4.122 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 2.963 -3.568 -10.095 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 -1.587 1.157 2.819 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 0.504 -0.048 0.323 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 -2.946 1.504 -3.165 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 -14.614 -0.662 11.222 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 -3.511 2.115 -2.805 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 -15.949 7.773 7.459 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 -1.931 0.705 0.567 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 -5.285 -36.340 -22.394 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 -4.963 -2.034 -3.221 1.00 0.00 SBOX O ATOM 950 P ADE A 37 -1.882 -0.559 -1.636 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 -7.433 -4.050 -5.014 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 -1.152 2.744 0.392 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 2.197 -2.974 1.366 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 -3.073 3.424 -1.579 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 -13.138 -16.488 26.231 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 2.903 -21.138 -5.791 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 -7.505 5.107 1.490 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 10.023 16.805 1.680 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 0.829 3.922 2.606 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 -5.413 -2.520 4.761 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 -0.482 22.588 0.973 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 -0.639 0.590 -3.054 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 -8.275 3.590 -2.648 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 1.695 -13.569 -9.558 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 -2.014 -7.279 -0.988 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 -2.048 1.797 3.705 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 -4.117 2.220 4.772 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 -2.745 1.371 -6.877 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 14.273 -10.623 17.289 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 -8.148 13.694 8.521 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 4.064 -1.307 -0.391 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 2.833 -4.862 -1.429 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 5.151 6.772 -8.385 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 -3.012 7.100 -6.573 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 -3.388 -4.031 5.767 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 -6.579 -2.786 -4.808 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 5.250 9.488 -13.970 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 -1.550 0.754 0.397 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 10.517 -3.143 13.616 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 -2.913 -0.732 2.729 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 -16.627 -12.424 -17.676 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 1.486 -1.107 3.391 1.00 0.00 SBOX O ATOM 983 P ADE A 38 1.721 6.816 -1.875 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 -4.052 -6.967 2.666 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 -0.193 1.934 3.027 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 -2.239 -2.514 -1.530 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 -2.393 -0.479 1.794 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 9.554 6.996 7.583 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -34.249 -15.268 -0.156 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 5.985 -6.344 1.716 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 1.425 7.110 8.696 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 2.695 -4.620 4.310 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 0.683 1.932 7.872 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 8.851 -25.457 -20.873 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 3.422 -2.616 1.574 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 0.699 -0.538 -7.145 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 8.892 2.721 0.942 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 -8.454 -9.862 -3.626 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 4.161 4.681 0.158 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 -0.773 -9.397 -4.695 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 -1.438 0.058 1.100 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 -0.238 -6.619 -9.185 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 8.706 -6.094 -3.121 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 0.651 1.326 0.497 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 0.917 -3.250 4.178 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 5.759 -2.483 31.860 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 0.756 0.837 1.178 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 -6.390 3.843 -0.764 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 -0.045 -1.487 -0.948 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 1.637 -16.460 -1.312 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 2.620 -5.722 -8.648 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 17.113 8.568 8.304 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 5.095 -3.459 0.816 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 2.901 -10.432 -0.656 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 0.006 -2.128 0.210 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 -1.763 -3.215 -3.531 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 -8.718 4.307 -2.898 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 -2.066 2.182 0.686 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 -1.891 1.925 5.135 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 -4.368 -4.809 -0.993 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 -5.047 19.655 -34.007 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 4.771 -16.067 0.052 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 -0.234 11.271 -0.905 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 1.368 11.582 -11.556 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 2.102 0.087 2.884 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 -3.942 -2.211 -0.739 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 -20.012 14.083 4.580 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 -3.667 -4.722 -2.943 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 4.412 -9.205 -0.576 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 17.625 18.914 16.232 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 -1.400 9.892 -6.986 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 18.704 1.557 -33.143 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 0.472 2.400 7.063 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 3.056 3.259 2.255 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 -2.121 3.644 5.446 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 6.824 2.021 6.410 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 15.477 -4.276 -11.460 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 -3.681 1.670 -6.566 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 -2.639 -7.465 1.293 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 -1.578 -7.979 -4.378 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 -19.595 6.830 -2.870 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 2.737 3.032 -3.681 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 -1.052 2.427 18.952 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 5.843 -12.526 -0.493 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 -10.069 -24.911 -0.094 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 6.046 -0.120 -1.659 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 2.037 -0.979 -0.582 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 -3.414 -1.590 1.183 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 5.183 -4.005 -6.794 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 -0.059 2.088 -2.680 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 2.332 5.033 4.415 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 -1.173 12.907 -6.509 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 -30.290 -13.330 14.555 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 -1.880 4.414 -3.325 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 12.813 -2.650 1.277 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 4.904 2.451 -1.978 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 2.757 -4.126 0.633 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 -0.972 5.737 6.140 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 6.461 -1.539 -1.545 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 4.520 -2.837 8.293 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 10.339 -20.831 1.736 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 2.207 -1.804 -3.777 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 4.670 -3.062 -13.793 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 -0.390 6.414 3.992 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 -1.290 6.670 0.230 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 -8.483 15.212 7.569 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 14.042 -2.271 -37.912 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 -2.913 -1.802 0.376 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 6.708 -3.065 -3.424 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 -5.148 -1.957 -1.198 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 7.512 1.326 4.444 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 -4.418 3.311 -8.295 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 1.377 3.920 5.296 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 2.083 0.261 -8.027 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 6.717 0.016 1.468 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 3.772 -12.843 15.343 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 0.012 9.776 -4.716 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 2.046 1.799 1.148 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 4.714 0.174 1.493 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 -1.037 -2.477 0.539 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 1.102 1.930 4.867 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 1.609 -6.245 -2.405 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 16.985 -23.911 -11.835 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 -5.332 25.382 -19.131 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 -5.559 -4.627 -4.011 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 -1.179 -3.590 -5.810 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 0.481 -1.768 -0.120 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 -7.880 -0.824 2.243 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 4.377 17.455 7.940 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 -11.067 -1.090 5.039 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 -1.412 -3.188 5.795 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 2.551 -1.101 1.607 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 -3.090 4.611 -5.564 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 -26.573 -16.351 -1.665 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 0.433 -0.215 -3.143 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 5.266 0.574 1.051 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 -9.397 23.118 1.129 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 -32.503 -9.582 17.640 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 -0.012 -3.059 3.293 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 0.060 -1.191 5.773 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 0.372 3.136 1.554 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 6.373 -0.551 -3.987 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 6.169 2.363 -0.026 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 1.894 -0.974 -0.220 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 12.904 -7.487 15.703 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 -4.100 -3.652 1.597 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 -0.562 -7.568 -0.768 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 0.889 0.033 4.697 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 -3.952 2.666 1.431 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 7.872 1.387 -0.015 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 3.431 1.283 -0.715 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 -2.889 -8.641 -3.054 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 -8.734 -1.937 8.025 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 8.963 -12.879 9.144 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 -1.375 13.124 4.740 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 0.847 1.634 6.141 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 12.125 -4.252 -5.797 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 -2.550 -3.773 -3.360 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 -0.559 0.639 1.612 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 29.606 -38.252 16.887 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 0.717 3.889 1.598 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 -6.467 6.950 1.952 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 -11.709 8.294 -2.627 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 -2.232 -3.408 1.520 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 -4.584 -0.597 4.032 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 -3.214 0.044 0.538 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 -1.479 1.897 3.020 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 7.388 -8.317 -3.009 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 2.743 -15.212 -21.509 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 3.221 6.119 -10.584 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 3.913 3.281 -6.952 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 -9.964 4.003 9.746 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 19.521 18.734 -16.435 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 0.912 0.557 0.066 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 -4.802 7.928 1.833 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 2.944 1.481 -2.420 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 22.165 5.763 -19.612 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 -8.218 2.422 0.381 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 -2.092 23.310 35.930 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 -2.645 4.631 -0.127 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 14.867 -2.168 19.521 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 1.131 3.059 -0.512 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 1.206 0.088 0.787 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 -1.801 -0.129 -0.343 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 -6.709 2.867 3.907 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 -1.891 7.779 1.458 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 -3.504 0.947 3.912 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 -6.259 -7.391 -1.547 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 4.428 31.142 30.953 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 0.708 2.502 3.076 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 9.269 -29.200 7.605 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 -8.648 2.488 -1.663 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 -7.210 -3.329 -7.776 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 1.844 -13.823 9.215 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 1.595 -4.911 -3.715 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 -2.291 -4.250 -2.425 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 -19.838 -7.620 11.476 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 -9.449 -5.363 1.613 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 -4.475 3.970 1.946 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 2.412 5.731 -2.320 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 0.681 0.820 -1.037 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 -4.055 -2.826 0.517 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 3.581 4.929 -0.714 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 -2.242 6.157 -0.871 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 1.556 7.824 -0.200 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 4.264 2.707 -6.639 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 -5.182 -8.790 10.681 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 -1.521 2.871 -5.434 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 6.893 -8.733 7.130 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 10.246 0.202 10.969 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 15.132 -1.450 9.967 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 -0.082 2.896 8.744 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 11.450 6.800 8.926 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 -7.468 4.326 -2.326 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 0.881 14.721 16.974 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 4.166 3.569 -0.420 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 -1.488 -4.299 -1.573 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 -3.193 0.176 0.771 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 -4.646 2.426 -3.785 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 4.011 0.037 0.525 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 3.298 0.168 -3.824 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 8.056 1.030 -3.147 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 -4.150 7.978 -29.160 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 -2.589 4.594 7.647 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 15.621 -8.488 17.513 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 1.374 0.974 1.564 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 -0.738 1.194 -4.885 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 3.243 -0.527 2.071 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 -1.776 -3.960 5.824 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 1.238 3.870 -5.107 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 -0.802 24.083 16.448 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 -0.715 -2.969 1.961 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 4.397 -2.922 3.075 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 -1.159 0.813 8.287 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 0.238 3.714 -2.100 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 7.218 13.587 -5.617 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 -4.424 3.401 3.290 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 4.253 0.765 4.194 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 -8.765 -4.835 -0.697 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 -8.995 -0.755 -1.437 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 1.246 7.830 1.819 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 6.499 1.497 10.496 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 -0.790 -5.326 -1.224 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 -26.625 -28.585 -1.529 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 -1.969 -6.098 -7.974 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 2.035 2.791 1.342 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 -4.655 3.333 4.286 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 -0.201 -1.152 2.305 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 -0.267 4.203 0.791 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 -1.576 4.352 0.687 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 5.385 -3.156 -1.539 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 1.354 0.567 2.772 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 -18.681 9.602 -4.830 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 -21.365 23.401 -9.412 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 4.485 -1.677 4.130 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 13.597 3.358 -11.093 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 5.630 -3.379 2.248 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 -1.991 -2.251 8.190 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 -1.264 2.443 3.675 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 5.050 0.484 -3.608 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 4.912 1.680 4.085 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 7.927 -16.167 8.688 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 1.578 1.695 2.847 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 5.174 1.380 -0.436 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 0.727 -0.536 -2.021 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 -5.175 0.714 1.321 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 13.092 -16.336 -8.523 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -4.765 0.163 -4.475 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 -2.155 8.601 2.836 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 -3.866 0.718 -3.992 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 -4.311 -13.255 -8.404 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 -6.353 -8.506 6.337 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 -7.138 4.648 3.912 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 5.231 6.896 3.106 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 -0.634 -1.826 12.670 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 2.956 -1.700 -1.579 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 2.717 -2.981 -0.954 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 3.750 2.735 0.054 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 -8.782 15.450 14.142 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 0.812 7.564 -2.080 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 0.539 -1.946 -3.491 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 0.297 -4.015 -4.301 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 5.241 3.418 3.647 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 5.348 -2.371 2.143 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 9.449 -0.992 -3.939 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 -11.893 -8.017 -15.150 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 -12.216 12.478 8.875 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 0.219 -5.151 3.249 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 10.481 11.354 -12.873 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 2.226 -4.840 -2.486 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 3.741 -0.202 -0.287 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 0.400 4.598 2.451 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 -5.200 6.130 1.400 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 -6.033 6.325 -0.134 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 13.624 -10.593 13.486 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 -5.447 0.065 0.827 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 3.828 -2.159 5.128 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 5.205 -0.938 -2.395 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 8.574 -4.367 2.573 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 -18.421 13.375 9.985 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 6.764 6.050 1.152 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -5.122 2.332 2.790 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 -4.278 -7.225 4.546 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 -7.931 0.676 23.094 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 6.237 -7.687 -3.032 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 11.179 -3.938 0.583 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 5.816 7.189 -1.346 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 2.829 11.755 -16.091 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 5.074 -5.171 -0.754 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 0.834 5.220 29.238 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 6.358 3.340 -0.821 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 -7.742 5.094 16.020 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 3.581 -6.759 -1.539 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 3.134 -0.805 -5.837 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 -3.980 -12.407 5.859 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 -2.299 4.868 2.115 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 4.451 1.354 -3.566 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 14.290 0.055 -1.210 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 -13.727 -2.056 -0.959 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 3.026 7.357 -1.858 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 -2.487 1.696 -3.650 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 13.592 18.440 15.280 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 0.568 2.243 5.524 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 -1.969 -2.580 3.481 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 -2.015 3.635 -6.281 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 1.389 -3.970 -0.560 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -1.257 -3.900 -4.701 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 3.253 -11.089 12.054 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 -2.885 -2.787 0.041 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 -7.921 -4.994 8.088 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 1.280 7.880 7.177 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 4.245 -8.206 5.882 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 5.678 -9.968 25.398 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 11.947 2.370 -9.931 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 5.060 -8.228 7.469 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 -3.987 2.069 2.182 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 -1.238 3.603 9.708 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 0.087 1.933 0.850 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 -12.838 0.518 27.999 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 -0.863 7.748 -4.717 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 19.245 0.544 3.012 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 -1.794 -1.479 -1.248 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 -0.911 -0.496 -23.787 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 1.694 -1.358 -0.956 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 0.395 1.499 2.220 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 0.224 -8.438 1.083 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 1.166 -4.021 6.723 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 -1.999 0.927 2.053 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 -3.314 -2.438 -1.208 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 2.597 -8.149 13.146 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 -14.112 0.246 -3.490 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 1.305 -1.836 -3.580 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 7.194 15.669 -1.528 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 0.837 -2.047 1.348 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 -5.263 -4.278 1.797 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 0.434 -15.318 12.480 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 -2.354 0.264 -0.456 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 3.562 2.568 2.210 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 -23.153 15.455 15.205 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 4.548 -1.621 5.678 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 -2.593 4.452 14.343 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 -2.554 -6.720 2.791 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 2.609 0.772 5.900 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 15.801 -2.444 6.707 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 -2.664 0.731 24.262 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 1.491 3.699 -2.652 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 -3.872 -3.749 4.161 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 -5.245 -4.260 -3.641 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 -2.863 -3.229 1.597 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 4.794 6.959 -7.401 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 1.038 -5.746 -2.955 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 -13.436 -8.835 -14.545 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 0.336 -6.258 2.050 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 -10.234 -7.945 5.590 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 -3.417 -0.675 -2.992 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 -4.724 3.137 1.644 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 5.086 6.826 -1.982 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 4.758 -3.879 3.260 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 -3.982 1.748 2.667 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 -3.864 -3.367 3.237 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 -30.834 -20.423 -16.015 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 -10.295 -8.451 2.404 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 -8.662 1.242 10.148 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 -0.935 11.071 -10.803 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 7.781 1.016 6.097 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 4.039 -3.770 0.052 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 -15.482 10.007 -12.109 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 -4.985 1.997 2.221 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 2.484 0.877 0.514 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 -33.152 -10.189 -10.798 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 4.373 1.262 -1.844 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 -1.109 3.163 -1.295 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 1.747 8.305 3.191 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 -1.392 1.523 4.060 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 2.941 2.823 2.828 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 3.935 -5.376 18.167 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 -4.235 2.238 -1.579 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 6.092 1.054 0.637 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 9.668 1.442 -9.678 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 -6.940 -1.831 -0.158 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 2.562 5.719 -2.741 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 0.802 2.749 -3.632 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 8.325 -25.596 14.690 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 -6.966 0.413 -5.466 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 -7.001 2.132 2.663 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 -5.263 0.819 3.346 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 5.331 -2.645 4.008 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 4.723 3.783 -1.147 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 -3.279 -1.807 5.407 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 -2.630 3.093 -0.322 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 4.851 0.510 1.512 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 -0.886 -1.823 -0.504 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 -3.086 5.163 4.227 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 -12.796 -13.847 -8.535 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 -4.645 -0.656 10.975 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 2.013 7.738 2.031 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 9.020 8.180 -6.606 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 -6.423 -2.751 -5.081 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 3.504 -0.446 -0.071 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 23.182 3.575 8.279 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 -3.274 0.456 0.359 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 3.176 -4.008 -10.915 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 10.246 19.437 -1.010 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 0.272 -3.765 3.838 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 6.813 -1.107 11.124 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 0.380 -5.436 -4.474 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 2.092 -0.456 -0.073 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 2.468 -7.250 -1.466 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 0.935 6.746 -1.804 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 1.959 -3.133 5.702 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 4.427 0.088 3.969 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 8.881 15.947 -0.794 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 -1.364 2.358 1.900 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 3.438 3.627 -3.211 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 -6.812 -6.944 6.069 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 -5.911 2.012 -2.012 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 -10.557 3.097 5.282 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 0.698 6.646 3.094 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 2.309 -6.584 3.132 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 0.870 -2.602 -2.714 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 16.176 31.022 5.589 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 -2.191 2.785 3.940 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 3.264 -1.448 2.603 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 -1.389 -2.092 -3.095 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 8.532 -1.317 -6.747 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 3.062 -4.958 -2.877 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 1.741 3.249 -3.337 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 14.712 -7.859 -12.213 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 -10.593 28.425 -22.621 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 -5.697 0.040 -5.631 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 22.168 -18.376 5.951 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 -1.063 5.987 7.950 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 0.148 1.409 11.322 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 -15.914 3.669 -33.111 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 -6.255 1.881 -5.674 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 -3.575 1.112 0.679 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 12.422 4.290 -3.664 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 2.869 4.120 -5.780 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 5.894 -0.718 -0.001 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 -0.416 2.703 -4.338 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 -5.141 -7.161 3.448 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 8.731 -3.015 8.882 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 -13.886 13.275 32.993 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 8.832 1.643 -3.186 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 -4.886 -4.630 -1.145 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 11.276 18.936 -4.143 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 0.230 -6.993 1.129 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 -1.403 -5.403 -4.697 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 3.620 0.493 -3.625 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 -8.656 13.328 -23.982 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 2.995 -0.352 7.082 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 -26.752 13.230 15.071 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 -0.780 -2.543 0.204 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 -6.511 -0.799 -8.852 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 -1.225 2.032 1.796 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 2.635 -7.533 4.770 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 0.854 -2.568 -0.026 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 3.069 -5.551 -0.702 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 1.677 1.735 1.033 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 -4.594 -1.479 2.748 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 11.507 -3.299 2.101 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 -5.399 -0.585 5.873 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 2.542 4.091 -0.676 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 3.002 14.191 -8.762 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 -0.943 4.444 -5.237 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 1.760 1.084 -0.149 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 0.778 -9.767 12.754 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 5.457 -0.021 -0.666 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 -8.720 -2.311 -6.338 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 15.563 -1.278 -2.145 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 -0.787 6.353 3.450 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 6.300 3.696 -3.809 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 4.874 -4.878 3.893 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 6.495 -4.365 -1.038 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 25.510 -8.280 -10.095 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 6.347 -1.185 6.200 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 7.194 -3.076 6.192 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 -0.184 -5.583 2.227 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 -0.901 -2.795 11.550 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 1.152 1.315 -0.075 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 5.719 -4.430 -3.637 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 3.507 -0.314 5.223 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 3.964 22.079 7.023 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 2.280 0.766 0.357 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 1.879 -2.946 -7.033 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 -3.187 0.403 0.677 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 -26.207 28.020 -3.825 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 -4.297 7.190 -1.975 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 4.520 4.814 -5.355 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 -1.890 4.954 -2.228 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 -0.406 3.801 -3.021 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 -3.848 0.041 -1.824 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 -3.202 7.922 -0.184 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 -7.586 -15.297 -10.886 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 -1.624 -4.335 -3.195 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 0.852 -0.634 3.297 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 -17.388 -6.603 19.299 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 -0.346 3.455 3.961 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 0.785 -4.740 -3.451 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 16.291 -6.359 -0.131 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 -5.215 5.425 4.271 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 0.168 3.026 -10.541 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 -12.037 7.005 1.279 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 -2.118 -3.429 -1.456 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 3.840 -3.629 6.342 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 -5.352 -3.906 -3.322 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -0.522 2.488 4.761 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 0.293 -2.936 6.876 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 -8.127 4.868 -2.335 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 8.724 0.337 1.958 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 -1.235 -5.322 1.849 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 9.131 -9.615 16.395 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 9.108 -4.722 4.864 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 -5.560 -3.803 -1.779 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 0.286 1.010 1.816 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 -3.223 -1.447 -28.485 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 2.877 5.705 -0.518 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 -0.437 -32.985 -8.835 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 1.979 -1.684 2.411 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 -13.363 5.909 7.748 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 -6.892 10.657 -2.465 1.00 0.00 SBOX O ATOM 1502 P URA A 54 2.075 1.095 -0.645 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 -3.056 -0.113 5.555 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 -2.753 2.366 0.672 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 6.431 -3.111 -0.284 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 -4.779 -3.296 -4.754 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 -16.600 -11.492 -3.991 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -11.082 -7.767 -9.974 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 -8.524 -4.407 9.435 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 -3.711 -6.397 9.506 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 2.679 -2.569 10.081 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 -3.541 5.371 0.877 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 -13.304 -4.923 4.007 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 1.029 -2.583 -4.158 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 -3.689 0.461 5.698 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 -27.783 -11.272 11.721 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 3.055 -0.668 9.440 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 5.147 22.929 -0.400 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 -3.367 0.223 5.722 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 -1.345 -1.843 -4.430 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 -3.389 8.060 1.478 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 1.431 3.898 -9.016 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 0.090 4.198 8.901 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 -6.910 1.306 1.003 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 3.581 -2.051 5.852 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -12.429 32.754 -30.103 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 -4.947 -5.446 -1.291 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 4.091 -2.589 15.787 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 6.201 -0.414 -0.848 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -3.655 -7.671 2.193 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 6.973 -3.857 -0.071 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 5.423 -0.669 -0.098 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 -6.850 10.689 -4.215 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 3.297 2.306 4.077 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 -4.327 -6.137 -2.941 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -5.343 -1.722 -1.403 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 -5.899 -12.527 10.144 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 1.623 -18.569 -4.483 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 0.970 -0.149 -0.871 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 2.726 22.401 -21.675 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 -6.840 1.470 4.378 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 -3.057 3.189 -6.937 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 -3.948 7.709 -5.245 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 0.146 0.462 -9.681 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 -1.833 -0.925 -2.593 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 -31.288 -2.516 3.702 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 -6.488 -4.501 -0.059 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 -0.748 -4.167 -9.594 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 11.208 4.383 1.049 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 -0.552 0.148 1.114 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 -0.377 -1.946 -6.999 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 -31.798 3.787 31.443 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 3.179 2.806 -2.426 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 2.707 3.725 4.958 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 14.701 -0.245 5.608 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 11.825 -20.394 2.835 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 -3.747 -1.346 -2.746 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 -2.282 -2.272 -0.081 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 9.243 -4.454 -5.110 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 20.299 -24.802 -2.734 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 3.128 -5.653 -0.270 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 -6.745 -11.547 8.704 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 -0.491 -5.389 2.556 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 -15.522 -22.861 -14.063 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 8.706 0.770 -4.963 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 1.691 0.594 3.528 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 -1.730 7.909 -2.388 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 3.509 0.342 0.380 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 -0.783 2.107 -1.175 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 6.553 -0.760 8.987 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 4.276 -0.782 8.192 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 2.489 -17.948 -14.367 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 6.625 -0.090 -0.980 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 7.272 -5.863 -0.885 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 1.725 1.913 4.444 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 -1.670 -3.646 -3.049 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 -15.449 -4.083 -3.812 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 -0.107 2.631 -5.878 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 -0.216 0.664 -5.790 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 -3.424 2.824 4.690 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 -0.197 -10.852 4.047 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 2.372 -5.198 -3.251 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 5.575 -3.210 0.162 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 0.140 -1.027 2.102 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 -2.506 -6.446 9.453 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 6.516 -10.939 5.904 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 -1.111 2.256 0.869 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 0.275 -6.353 7.052 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 7.132 -12.971 12.609 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 10.704 3.239 -3.751 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 -3.464 6.850 -4.383 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 -7.463 4.496 1.598 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 -7.733 0.599 4.016 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 0.308 -9.542 -4.173 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 1.571 1.116 2.947 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 48.942 -12.734 16.174 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 -2.515 -0.043 5.492 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 -14.948 2.942 -25.250 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 -1.316 5.522 -5.265 1.00 0.00 SBOX O ATOM 1600 P URA A 57 1.755 4.713 -1.612 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 -6.934 1.749 -6.782 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 0.876 2.718 6.534 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 -0.159 2.758 -2.463 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 -9.145 1.502 5.959 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 -9.270 -11.960 2.566 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 17.482 27.033 -0.493 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 -4.181 -4.445 -6.089 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 -0.483 0.956 -9.400 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 -0.254 0.139 2.999 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 -5.931 -7.804 -8.251 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 7.173 -19.070 -11.124 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 -3.422 7.736 -1.637 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 -3.346 0.303 -8.547 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 10.533 -8.871 -16.742 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 1.044 -0.213 -10.079 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 -0.580 2.910 -2.264 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 -6.018 4.863 0.164 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 -7.395 4.572 3.010 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 5.217 -0.368 4.514 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 -9.922 16.232 18.236 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 -1.466 -4.906 6.836 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 -3.637 -2.153 0.258 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 3.377 3.947 2.124 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 6.297 10.411 0.968 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 -6.465 4.974 -0.500 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 15.254 -17.749 15.360 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 1.160 -3.664 3.398 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 -17.832 -2.057 -14.128 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 1.333 7.081 1.514 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 0.640 1.187 2.815 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 -1.607 -6.918 -1.336 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 1.192 1.717 -2.238 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 -3.981 -4.476 3.546 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 -2.851 5.288 2.772 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 -4.485 -9.552 3.381 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 -14.282 -20.416 8.304 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 4.955 2.195 -0.482 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 13.848 3.059 -1.516 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 4.573 -2.556 -1.671 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 -3.215 -3.649 -0.241 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 2.441 12.348 16.178 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 0.037 1.684 1.032 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 -6.047 -4.274 -1.803 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 -4.117 0.494 -8.830 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 2.938 8.342 2.219 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 5.127 6.505 -8.221 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 0.185 -3.348 2.157 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 4.435 0.791 -1.891 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 -2.853 -1.531 0.636 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 1.861 9.132 2.171 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 1.223 0.255 11.467 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 0.595 0.945 0.058 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 -17.268 11.537 27.005 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 5.712 1.851 13.772 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 0.419 -2.650 -6.576 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 0.368 -6.436 -7.006 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 2.068 -1.061 2.939 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 -12.112 -2.213 -3.272 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 4.274 -0.241 0.131 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 2.558 4.500 2.370 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 6.636 -1.946 -1.940 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 12.475 8.192 -6.248 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 2.275 1.419 -4.035 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 -5.595 -1.912 2.987 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 2.411 3.225 -0.823 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 -1.646 7.722 5.484 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 5.247 -6.736 1.601 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 5.354 -0.126 6.989 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 -3.348 -4.881 4.344 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 -28.316 -6.464 -7.753 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 5.468 0.573 2.187 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 -7.550 7.252 13.450 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 -3.960 0.241 0.887 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 -6.877 -1.815 -6.155 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 -11.458 26.478 -10.924 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 -7.593 -8.373 -5.415 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 6.009 -8.207 -3.770 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 5.206 -8.715 -8.867 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 -1.433 5.138 -7.897 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 -3.180 19.173 -18.277 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 -1.687 -7.480 4.040 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 4.003 -1.786 -3.615 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 7.030 1.023 -10.723 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 9.550 -10.264 -6.955 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 0.401 -1.543 2.005 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 -3.825 0.041 -2.102 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 0.195 2.120 0.909 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 1.748 -0.163 -4.528 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 18.609 -13.148 -25.205 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 3.756 0.795 3.450 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 -10.423 -15.747 -16.497 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 -2.127 -5.709 -1.884 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 10.018 -17.586 -29.231 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 -1.794 7.198 2.127 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 1.240 -2.201 2.996 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 -1.993 0.711 6.838 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 4.270 -2.942 3.836 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 -3.477 -1.566 -9.797 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 10.049 -3.697 0.541 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 18.712 -9.256 0.284 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 8.490 35.796 -24.752 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 0.955 -2.294 -1.879 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 -5.670 -1.647 32.289 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -5.122 -2.365 -1.405 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 7.108 3.783 7.148 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 -8.102 -25.919 -20.608 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 12.993 11.566 -4.511 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 4.955 4.100 1.971 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 -12.786 -1.744 -21.488 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 5.100 -1.572 -3.958 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 7.094 26.464 6.952 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 2.642 9.298 -2.706 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 -0.838 -0.467 -2.736 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 0.816 -0.915 7.522 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 -5.126 -15.084 1.135 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 -5.066 -0.643 2.157 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 1.801 0.788 7.545 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 2.030 5.945 -4.240 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 0.512 2.124 0.927 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 10.892 -29.066 4.367 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 -0.246 -7.153 -4.442 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 -36.309 22.016 23.246 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 -2.213 4.893 1.447 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 0.611 6.967 1.154 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 -5.490 1.594 0.495 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 -0.890 7.279 -2.836 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 -0.936 -8.690 -1.981 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 1.562 -0.324 1.050 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 -2.920 -0.446 -1.072 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 2.580 -1.739 13.240 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 -21.509 -0.261 6.199 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 1.653 11.073 -13.920 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 -9.619 3.062 -0.325 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 -8.426 5.668 17.543 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 3.796 0.899 2.130 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 5.708 2.598 1.606 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 -11.685 27.641 15.952 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 -7.120 3.788 1.719 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 -6.777 3.796 0.124 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 -27.528 15.685 -14.851 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 4.480 -1.623 2.599 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 9.282 -2.556 1.939 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 9.210 5.828 1.099 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 -1.098 -2.980 6.466 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 8.085 -2.822 8.359 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 -16.309 23.188 8.993 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 7.462 4.826 -3.876 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 -3.721 2.123 -5.379 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 -12.533 -20.983 16.115 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 -4.732 -1.372 0.739 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 0.150 -0.820 0.482 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 0.361 -0.196 2.426 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 0.762 -18.288 -13.424 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 8.827 5.049 -4.442 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 -17.395 -5.289 13.523 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 -5.334 -2.334 0.540 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 -13.329 -23.254 -11.374 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 0.851 -0.056 -1.401 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 -0.604 0.871 0.405 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 2.985 -2.052 4.933 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 -2.653 -2.672 -2.982 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 -1.431 -0.090 2.396 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 -0.699 2.447 -3.030 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 -18.237 -6.891 0.632 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 5.278 4.927 3.189 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 0.203 2.785 6.701 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 5.710 2.833 -2.095 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 -2.978 4.740 -5.293 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 0.635 1.725 -5.475 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 -3.326 -2.376 -4.634 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 4.527 6.032 -0.508 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 1.777 4.050 3.024 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 11.871 9.889 6.573 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 -1.700 3.171 5.011 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 11.028 -4.507 -2.358 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 -2.134 -3.258 -3.109 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 0.978 -1.135 -2.088 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 15.864 41.961 -22.749 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 -28.452 3.791 -5.912 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 -12.878 -7.059 6.225 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 -0.380 2.656 -3.971 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 4.999 8.826 -9.705 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 5.362 4.708 1.223 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 2.505 0.454 0.787 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 -7.659 -5.063 3.822 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 -28.032 19.955 11.943 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 4.021 -1.194 -1.851 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 -0.448 -2.251 7.345 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 -5.426 3.567 -7.387 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 -6.202 7.620 18.627 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 -0.526 5.036 4.859 1.00 0.00 SBOX O ATOM 1792 P URA A 63 -5.710 1.937 -0.018 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 8.239 -1.881 -6.698 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 5.260 0.926 1.650 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 -1.035 0.828 -5.082 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 1.005 8.389 -8.436 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 -12.311 -5.200 12.224 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 -7.831 11.029 -9.917 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 7.961 7.331 -3.193 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 -0.901 -12.585 7.326 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 -2.360 -4.448 -2.214 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 4.053 0.329 -0.827 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 -7.106 -26.638 -8.370 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 1.060 -0.161 4.525 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 2.316 -1.102 -8.061 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 3.175 1.951 0.463 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 9.525 -2.203 3.891 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 -12.155 -3.901 -7.741 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 3.614 2.230 -8.478 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 0.838 5.265 1.743 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 2.473 1.894 -1.009 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 -24.036 24.361 3.879 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 5.770 -0.024 1.465 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 -6.082 -6.514 6.787 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 2.778 1.100 2.695 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 7.830 -9.139 -8.189 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 0.681 -1.812 1.063 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 -1.457 -0.101 0.261 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 -1.579 -2.949 6.459 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 0.638 -7.701 14.007 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 -7.858 -2.110 4.543 1.00 0.00 SBOX O ATOM 1822 P URA A 64 -2.620 0.385 0.908 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 -1.095 2.254 -4.162 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 -3.207 -2.902 -3.814 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 1.924 -1.053 4.580 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 -0.509 1.281 -1.291 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 27.514 -6.172 12.018 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 15.958 -3.904 -6.737 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 3.289 3.864 -0.440 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 -1.287 12.282 9.087 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -3.822 5.558 5.858 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 -7.070 -1.280 -2.273 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 -4.313 -9.460 4.043 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 -3.375 -0.130 -8.440 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 1.640 -3.178 -1.321 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 9.444 -9.318 -25.044 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 -1.545 -1.853 4.823 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 -2.115 -15.386 -3.283 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 6.905 2.706 -4.033 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 -1.435 -4.631 -11.289 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 5.372 -9.980 6.657 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 -19.154 -33.244 29.069 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 8.465 1.366 -5.158 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 -1.989 -5.346 -1.359 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 -5.198 -1.835 -1.218 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 6.889 -11.964 -3.810 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 6.262 -2.871 -3.256 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 16.208 -0.855 -36.525 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 3.888 1.552 0.167 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 -15.076 -0.280 3.430 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 -2.965 0.310 -1.379 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 5.655 -3.069 -1.576 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 -0.360 -0.708 2.475 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 2.550 -2.081 2.190 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 -2.968 -4.045 -1.772 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 6.803 5.299 -5.457 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 -2.421 -4.855 -15.017 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 2.185 24.716 2.755 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 0.314 2.636 -1.721 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 -6.916 32.935 -3.681 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 4.894 2.118 4.405 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 4.793 -0.535 -6.098 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 -1.120 -7.387 -3.175 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 -9.115 -6.634 -1.235 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 -1.150 -2.532 -2.999 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 9.101 -8.768 7.773 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 -0.622 0.766 2.568 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 -12.436 -28.000 29.104 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 -5.339 3.746 4.082 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 2.582 8.585 -0.840 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 18.103 8.812 6.828 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 -1.620 -7.071 11.978 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 4.321 -1.246 -5.535 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 1.171 5.292 5.383 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 -4.991 -7.187 -2.037 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 10.320 0.603 -0.654 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 14.570 -5.459 -6.101 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 6.735 2.801 -1.732 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 14.974 5.407 -30.769 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 5.682 0.928 1.476 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 -8.815 -6.226 -24.871 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 3.544 2.513 1.146 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 0.259 -2.628 -1.340 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 -3.778 4.396 -7.211 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 2.976 -4.383 -3.661 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 2.101 -11.406 -1.496 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 -4.489 0.164 1.373 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 1.038 13.533 12.032 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 0.782 -11.726 -1.660 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 2.946 -1.727 3.564 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 0.795 -13.309 19.043 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 2.093 -8.422 4.949 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 2.334 3.084 -2.292 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 -2.994 -0.326 -2.012 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 9.741 -3.305 -0.454 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 -2.424 -4.124 6.536 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 -6.517 -10.180 0.970 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 0.152 6.656 1.457 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 16.296 21.898 -15.947 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 -2.028 7.983 -5.700 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 5.017 -7.698 -1.965 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 -3.415 -9.199 -18.786 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 5.916 2.114 -10.472 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 6.622 7.301 -0.632 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 -10.274 4.644 -2.547 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 0.254 0.427 -3.977 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 -1.662 -13.557 -2.402 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 19.003 -0.536 -16.553 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 2.920 6.924 4.971 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 -0.544 34.759 15.364 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 -0.325 4.987 3.505 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 -11.517 22.546 -2.546 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 -1.252 -1.452 11.745 1.00 0.00 SBOX O ATOM 1914 P URA A 67 -1.290 -0.652 5.644 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 -3.464 -1.736 4.704 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 5.733 0.787 -1.394 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 -1.319 1.032 -2.165 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 8.131 -2.150 2.593 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 4.782 1.901 4.462 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 -2.203 -2.408 -4.693 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 -1.784 1.424 6.652 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 -12.113 -5.888 12.337 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 -7.207 -4.317 -0.195 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 3.209 3.643 2.480 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 14.209 6.727 13.979 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 -2.041 1.840 1.510 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 1.794 0.420 -3.198 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 -4.591 5.637 -11.492 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 -1.759 5.675 3.241 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 5.733 -31.638 30.560 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 2.329 2.319 -1.239 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 -3.184 -6.931 -7.090 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 7.801 5.034 -4.028 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 3.234 14.205 -1.541 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 2.930 0.273 -6.965 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 3.165 -1.425 3.948 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 3.273 -2.331 -0.333 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 5.423 -4.580 1.985 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 -2.076 0.098 -1.419 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 -24.088 4.653 3.167 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 -1.446 2.800 -3.520 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 -5.012 -8.912 -12.717 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 3.448 -4.785 -6.024 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 0.368 -1.820 0.866 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 4.902 6.292 -2.121 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 -6.250 0.299 1.404 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 2.598 -4.791 3.737 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 5.551 1.661 3.444 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 -20.307 -6.230 9.142 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 -0.981 -13.941 -28.102 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -4.527 8.269 0.839 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 -23.551 1.291 -10.936 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 -0.766 2.010 -1.189 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 -4.298 -1.169 -1.379 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 9.441 -18.551 11.874 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 -0.796 3.776 0.063 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 -0.422 3.779 2.198 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 -15.781 14.943 5.530 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 -1.361 -5.354 4.882 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 10.177 2.298 0.281 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 -0.655 3.859 -2.547 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 -0.013 -0.491 6.959 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 -1.364 3.683 -1.239 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 -0.774 0.108 17.226 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 2.510 7.192 5.003 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 -3.690 0.117 4.245 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 -2.512 6.357 -10.970 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 6.810 5.785 24.094 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 -3.485 -2.610 8.867 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 0.389 2.549 -0.339 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 -3.263 8.619 3.211 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 5.630 15.503 9.455 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 1.125 9.705 -1.279 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 10.938 14.472 -6.216 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 -5.899 1.388 0.795 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 16.598 2.282 6.476 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 0.821 -1.852 -0.453 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 1.461 -4.908 -1.244 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 0.947 -2.166 -1.607 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 -1.313 -1.331 -5.368 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 -5.299 3.815 -5.870 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 1.574 4.871 2.735 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 -23.812 14.826 20.760 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 4.045 10.982 -5.172 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 1.071 5.289 1.195 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 5.589 -8.847 -9.578 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 -1.895 -0.130 -2.932 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 -2.827 2.967 4.713 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 23.901 -7.968 13.221 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 -0.157 3.256 0.154 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 2.862 -1.684 1.600 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 -5.425 -30.384 -22.741 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 2.002 -1.086 1.841 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 6.090 -13.711 -3.909 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 -1.750 -1.132 -10.676 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 -1.403 -0.334 1.360 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 -14.156 -4.449 -20.102 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 16.569 -8.644 -0.506 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 3.195 1.957 -2.935 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 0.904 1.815 -1.874 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 -7.996 1.725 1.686 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 -0.942 4.082 -9.262 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 15.973 -0.155 -17.945 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 -3.463 -3.805 4.951 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 -9.474 7.367 4.869 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 2.838 1.261 1.046 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 8.742 3.405 5.978 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 0.140 -3.393 -3.680 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 8.528 -0.905 -1.604 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 3.748 -0.247 -4.329 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 -2.772 1.029 7.956 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 0.264 -10.033 -4.762 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 2.046 -1.184 2.904 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 13.462 -10.541 -3.865 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 12.467 -0.294 -4.602 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 0.565 -1.017 2.964 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 -13.863 14.495 6.390 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 0.056 -0.262 -3.820 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 0.941 -2.774 4.497 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 7.497 -15.207 16.886 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 -1.729 2.739 -7.655 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 -4.286 -0.971 -0.244 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 -9.999 -7.414 -21.729 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 1.524 -1.427 -5.056 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -4.340 -2.228 4.826 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 -4.731 6.659 8.164 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 -1.895 0.542 3.046 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 -17.928 -28.966 -30.331 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 -5.842 -12.488 -3.855 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 -7.247 -1.806 2.543 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 -3.529 -2.312 -0.278 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 -4.957 22.906 3.156 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 -1.598 1.427 -2.057 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 0.053 1.494 -2.965 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 4.323 2.932 5.739 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 9.041 0.439 6.375 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 3.593 6.150 -2.852 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 -8.551 -11.434 14.388 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 3.464 3.043 6.339 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 -0.491 5.207 -24.406 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 -4.249 4.571 0.066 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 4.041 -4.939 -1.375 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 4.752 0.488 3.416 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 -1.506 1.781 4.837 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 8.522 -3.903 -3.005 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 5.733 -3.569 4.752 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 14.396 -16.558 12.036 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 15.504 -4.776 -1.227 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 -0.862 5.319 -6.038 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 0.870 -3.728 -7.410 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 -7.050 1.295 2.914 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 2.606 1.150 3.384 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 -9.635 5.787 -13.282 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 6.422 3.574 1.433 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 -1.111 3.160 0.548 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 -8.123 0.471 10.282 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 3.482 1.931 -0.062 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 -0.672 10.596 8.892 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 7.303 -6.259 -1.143 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 -3.859 9.148 -0.318 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 -5.005 -3.290 -4.315 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 -5.997 -19.338 -18.948 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 -1.858 -5.630 -9.022 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 6.474 1.025 6.384 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 4.597 -18.027 -7.998 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 9.189 -1.790 5.222 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 -2.021 -2.152 -1.557 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 1.425 7.937 3.797 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 -2.288 -4.641 0.604 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 -27.823 22.833 -10.002 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 4.704 0.755 -5.272 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 21.852 4.244 -15.098 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 -2.195 3.037 -2.571 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 -3.492 2.138 -2.128 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 2.495 -1.983 -1.769 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 -0.591 -1.464 -6.752 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 -4.025 -6.027 1.911 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 -2.704 -0.057 0.212 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 0.908 -0.647 -4.247 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 -6.683 -0.513 5.460 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 -12.405 1.555 5.323 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 -4.840 -1.165 14.538 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 -8.717 -4.502 4.884 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 -15.295 -9.554 -7.011 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 -1.252 4.195 3.115 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 2.539 -2.747 4.862 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 6.624 0.730 5.762 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 1.425 0.603 2.855 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 4.359 -2.958 1.101 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 9.439 21.328 22.882 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 -1.448 1.049 2.314 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 -2.232 2.211 -0.516 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 1.827 -4.629 7.816 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 4.645 -10.031 -1.250 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 14.931 6.254 7.859 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 2.751 -9.581 -12.658 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 1.518 -6.246 -5.173 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 3.644 -0.118 -5.587 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 0.188 -0.318 -2.979 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 -4.842 -1.351 4.051 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 -6.496 11.555 -0.478 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 4.633 -7.447 4.633 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 17.877 16.923 6.155 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 0.651 -5.914 -7.190 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 -14.642 -20.548 -8.003 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 4.021 5.221 -1.073 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 0.358 -1.191 0.453 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 -1.322 4.097 1.996 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 0.764 -3.798 -3.036 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 1.100 -5.016 4.057 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 -7.255 -1.558 1.734 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 -7.377 15.102 -5.327 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 -4.283 -12.899 31.580 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 6.063 2.084 3.642 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 8.912 9.230 16.113 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 -0.243 1.542 -2.911 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 7.462 -3.664 0.894 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 27.637 7.657 26.275 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 -2.009 -0.059 3.110 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 -6.816 -2.182 -5.655 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 6.356 3.210 2.776 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 -3.388 -6.132 4.209 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 1.002 2.762 -2.341 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 5.193 0.346 5.744 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 3.683 -5.000 0.949 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 -2.175 -0.372 4.728 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 -8.198 -40.336 -7.725 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 3.910 1.927 1.962 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 1.840 0.624 2.071 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 -12.837 14.925 -4.658 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 5.764 12.806 9.428 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 2.430 -4.639 -4.123 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 -3.697 0.025 5.223 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 0.012 6.181 -5.957 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 -1.362 -0.460 20.171 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 -3.412 -1.134 3.747 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 -6.475 37.575 -1.356 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 -10.718 0.021 -1.898 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 4.656 -4.624 -5.049 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 -0.354 1.134 -2.678 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 1.455 -0.857 1.209 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 6.725 -0.719 0.193 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -3.212 3.302 3.798 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 4.232 6.702 -2.025 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 6.388 -1.289 3.762 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 6.151 18.541 -4.662 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 -22.126 -32.848 30.590 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 4.715 1.080 -7.623 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 7.292 -12.571 -6.873 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 -5.019 0.074 2.574 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 -0.612 0.346 3.327 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 -20.167 -7.755 -3.638 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 0.121 2.414 2.380 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 -1.601 -4.203 -7.779 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 4.026 -17.268 -18.510 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 -1.331 -0.320 -12.269 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 2.609 1.667 4.599 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 -7.334 8.823 -4.088 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 -3.404 6.539 0.426 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 1.883 0.243 1.499 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -19.344 5.123 -45.501 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 -2.566 -1.420 1.997 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 1.389 -6.454 1.457 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 -19.970 18.139 -12.746 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 9.434 -11.514 -17.896 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 -4.449 -5.526 -0.805 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 1.295 6.636 4.676 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 -0.585 1.511 5.087 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 1.586 -5.395 1.847 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 -3.205 -7.692 -2.352 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 -5.241 -12.989 0.806 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 -0.237 2.223 -3.738 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 -10.665 15.144 0.103 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 -1.266 1.864 -0.683 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 -1.349 0.905 -2.593 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 -5.677 -1.541 0.987 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 2.157 7.511 3.281 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 -0.275 2.232 3.590 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 -1.977 -8.685 -2.380 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 9.615 -9.638 8.866 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 13.476 -19.475 -9.344 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 -0.495 -2.965 0.095 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 -5.946 -10.301 24.981 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 -5.665 6.651 -3.572 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 1.772 3.924 -2.134 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 -5.995 -4.197 -2.093 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 -2.055 -1.639 7.540 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 -0.828 4.018 -1.185 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 20.949 -9.703 -9.515 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 2.793 5.569 1.853 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 -5.340 7.637 -5.902 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 -3.285 -3.254 3.043 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 1.952 -4.104 -0.302 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 -31.201 -20.553 1.894 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 -16.524 -9.824 -15.395 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 0.050 -3.476 -2.248 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 4.828 7.657 2.521 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 -23.046 3.216 -14.294 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 -4.513 -0.353 -3.289 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 -8.353 4.084 -6.723 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 4.839 -5.204 1.266 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 -8.395 -6.647 -14.970 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 -0.724 8.390 2.736 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 -8.446 3.636 -5.656 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 -3.279 6.273 -1.185 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 4.983 1.261 -9.262 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 2.881 -0.496 2.205 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 -0.252 -0.000 -0.173 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 2.946 2.404 3.841 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 -1.640 -2.978 -5.133 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 3.239 0.107 0.842 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 2.369 3.146 -0.087 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 -12.885 0.674 -6.693 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 -6.231 -4.182 17.198 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 -2.661 -2.601 -6.091 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 -7.019 -7.637 -15.050 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 -2.683 0.817 0.062 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 -4.073 -3.800 3.765 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 35.682 21.593 -2.135 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 0.740 1.529 3.496 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 -1.789 6.724 0.031 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 -37.728 -14.019 19.659 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 0.437 3.265 -5.601 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 -1.170 2.961 4.051 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 -5.962 4.920 7.981 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 -2.790 0.820 -1.609 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 -8.534 13.411 17.471 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 21.016 10.461 3.947 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 0.204 -0.351 -3.331 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 1.140 0.109 -1.401 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 5.934 -0.226 -2.930 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 -1.587 5.107 5.886 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 -3.438 -6.196 -3.373 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 8.134 0.783 5.110 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 8.707 -4.347 4.031 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 -1.864 1.315 -5.015 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 -3.452 -11.759 19.921 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 0.100 2.063 -3.241 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 -13.639 20.151 -14.353 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 0.552 -5.371 6.613 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 2.196 -4.491 0.681 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 -0.001 1.411 5.230 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 6.604 -4.160 -1.925 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 -2.742 -0.333 -2.145 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 -1.687 -7.761 1.873 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 -11.558 4.192 -20.528 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 -6.990 -5.740 4.364 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 -3.003 -0.094 -1.983 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 -19.838 17.659 -6.851 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 3.861 -0.773 -2.441 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 5.395 5.938 2.701 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 -16.840 -14.792 18.102 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 -7.316 -3.001 -10.326 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 -3.972 -0.043 -5.782 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 -7.998 3.215 4.159 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 1.679 -3.841 -3.511 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 1.542 3.837 -20.274 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 -1.533 0.480 8.200 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 -5.319 5.969 -1.267 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 7.129 -19.920 -11.760 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 5.879 0.651 -10.072 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 2.744 9.827 -5.455 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 -2.709 0.031 -4.687 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 -13.662 10.115 9.383 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 7.692 1.118 0.432 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 -1.734 -2.380 5.356 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 4.496 -3.442 0.965 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 -10.519 33.831 1.557 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 -1.603 -0.136 -8.021 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 6.345 -17.711 20.786 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 3.637 1.952 -2.818 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 5.217 -0.886 24.113 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 -9.928 2.226 -6.620 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 -1.006 -2.246 -1.810 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 2.679 -5.042 -3.436 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 -1.332 1.990 -0.533 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 -1.295 -6.012 1.014 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 5.876 -5.561 -6.641 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 17.697 19.820 -11.484 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 -7.389 -6.627 11.169 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 6.796 0.113 -2.455 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 -8.184 -7.985 19.487 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 -7.560 -5.055 -5.358 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 0.672 -0.093 -3.578 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 -2.941 7.740 -19.264 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 4.348 -3.261 -1.772 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 -3.664 -2.986 -0.380 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 12.694 -15.732 -5.552 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 2.390 -2.405 1.392 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 4.570 -14.292 16.052 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 -3.740 2.715 1.090 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 6.154 -4.515 -2.353 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 26.156 -4.742 11.412 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 5.420 -5.841 4.312 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 10.195 -0.803 4.705 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 -9.371 -1.522 1.685 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 1.412 2.339 -3.120 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 -1.603 -15.971 -4.594 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 -4.814 -11.047 -0.531 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 5.038 1.836 -2.323 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 -4.616 8.378 3.011 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 11.241 -5.907 -1.935 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 17.421 -4.837 0.898 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 2.207 0.059 1.086 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 0.695 1.167 -0.306 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 -1.460 0.381 5.433 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 4.562 5.449 -4.720 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 2.124 -1.658 0.672 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 2.358 -1.397 2.778 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 -8.910 -6.406 7.652 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 4.018 -5.365 -21.519 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 -1.925 -3.630 4.041 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 3.735 4.216 -15.300 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 0.413 3.412 -2.164 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 -3.020 -2.025 -3.493 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 2.304 -3.481 13.807 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 4.261 -3.469 -1.033 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 -1.288 1.440 -7.501 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 -3.741 10.788 -1.066 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 -1.065 -4.982 -4.848 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 -6.137 -5.917 3.266 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 -10.777 -5.699 -1.850 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 1.271 3.042 -6.816 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 6.321 1.879 0.605 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 5.859 -19.119 -14.788 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 7.966 -3.567 -4.982 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 -2.933 -2.171 -6.908 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 13.712 -9.484 -28.433 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 -10.319 -35.304 4.320 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 -2.192 1.384 -0.669 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 -2.460 -2.158 0.966 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 -1.376 -5.103 3.240 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 1.952 -27.547 11.087 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 -4.055 -4.895 3.792 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 -23.525 21.895 6.831 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 4.219 -2.172 2.624 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 0.828 6.341 11.801 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 6.312 -1.217 1.753 1.00 0.00 SBOX O ATOM 2339 P URA A 80 1.770 -3.366 2.412 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 0.801 1.584 1.169 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 5.511 -0.052 0.952 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 4.549 0.049 4.857 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 -8.456 -2.050 -0.821 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 1.350 3.072 -15.252 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 -21.034 2.391 -24.887 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 -2.144 -2.680 -2.179 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 0.079 4.896 12.223 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 0.498 0.309 -0.891 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 -4.340 0.340 2.654 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 -1.742 -0.176 2.347 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 6.637 -4.877 4.530 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 -2.340 6.411 -8.818 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 -6.303 -6.448 -31.983 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 1.670 5.370 -6.425 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 -9.960 12.034 -0.923 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 -0.999 -5.699 -2.331 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 -6.163 -4.525 2.436 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 4.913 -5.181 3.140 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 3.218 7.632 18.739 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 4.861 -0.769 -3.147 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 2.876 -7.682 5.433 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 -15.122 -5.678 -7.387 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 -37.523 10.085 -17.388 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 -5.499 2.728 -0.010 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 -11.458 10.078 8.245 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 -4.039 -0.630 7.590 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 14.252 19.485 -7.034 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 -2.769 -2.987 -5.165 1.00 0.00 SBOX O ATOM 2369 P URA A 81 2.535 2.551 2.308 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 0.364 -2.342 0.448 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 6.366 -2.368 -4.086 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 -5.326 -5.314 -3.989 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 1.442 3.769 3.795 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 -3.216 4.194 10.123 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 6.643 9.606 2.541 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 -6.770 0.071 2.695 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 -22.282 5.609 -6.773 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 0.568 -1.108 -4.849 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 -5.213 -1.182 0.602 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 -10.856 2.661 14.461 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 -1.744 3.781 -7.859 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 -4.011 1.662 -2.648 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 5.235 13.559 17.575 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 -7.021 2.843 2.176 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 4.196 15.041 14.634 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -2.663 -4.731 0.167 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 -1.075 -1.581 -5.093 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 3.039 0.403 -7.544 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 2.074 -3.273 -14.303 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 2.181 -6.718 -3.062 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 -0.711 0.118 7.917 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 12.073 -1.423 -3.197 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 -9.277 30.415 16.570 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 2.944 -5.861 7.363 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 -19.286 30.548 24.879 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 -2.654 -5.795 0.080 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 2.647 -30.441 -39.050 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 -7.419 -1.273 -8.589 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 3.645 -2.477 3.271 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 -4.274 -3.722 0.962 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 -4.098 -4.927 5.198 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 -6.215 2.858 -6.911 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 2.915 1.607 5.051 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 -10.038 15.928 -13.619 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 9.171 -17.999 14.416 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 5.003 -8.130 -4.395 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 -23.978 -11.894 -5.029 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 -8.005 -0.638 0.382 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 -5.399 -2.215 -6.811 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 -17.386 -1.187 31.951 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 3.078 -1.934 -0.052 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 -5.146 -3.639 2.208 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 8.046 36.333 4.658 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 -5.652 7.497 2.381 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 8.229 -2.993 -0.447 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 5.664 4.015 0.364 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 -4.271 -3.335 8.261 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 6.463 -0.722 6.417 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 14.064 23.309 19.303 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 2.431 1.674 2.558 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 -5.137 2.287 0.804 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 -23.072 -20.978 -10.460 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 8.676 -10.042 -7.773 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 2.427 -1.693 -3.597 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 1.851 -3.224 -0.896 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 -4.890 7.070 -8.759 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 4.500 -6.881 -31.379 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 -3.691 -5.565 2.233 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 -12.324 1.832 -2.396 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 6.131 1.485 -0.887 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 19.345 0.008 -6.301 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 -0.098 -0.821 1.928 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 0.241 -2.026 -1.691 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 2.736 -2.495 5.934 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 -0.265 5.338 2.757 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 -4.093 -1.681 -2.578 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 2.587 1.041 -2.850 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 19.153 22.835 -22.827 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 4.070 19.535 13.409 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 -6.366 8.280 -0.318 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 10.100 12.139 0.198 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 0.412 -1.583 -2.048 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 6.096 -0.691 5.450 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 -43.214 -19.774 21.724 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 0.391 7.517 1.010 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 -1.407 -0.788 -1.783 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 -12.705 -2.152 -16.318 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 4.988 -5.774 -3.176 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 2.604 5.502 15.193 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 9.759 -5.907 5.833 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 1.448 2.279 10.333 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 18.769 -18.670 27.971 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 8.334 12.798 -2.424 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 -1.037 -0.708 0.061 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 -8.174 2.673 -6.654 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 -17.691 -21.020 1.548 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 1.643 -1.873 -5.052 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 2.746 5.269 -6.754 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 -1.667 -6.683 -4.794 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 -16.999 -12.266 -11.694 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 -6.060 -4.261 -6.792 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 15.314 -20.045 6.217 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 -1.084 -6.766 8.412 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 -3.398 6.119 -4.033 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 -1.284 -6.253 4.066 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 -2.988 2.027 2.401 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 -0.267 -5.340 1.559 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 -3.466 1.863 2.461 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 3.649 4.094 -3.094 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 3.900 -0.958 -4.185 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 1.150 1.675 3.036 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 17.745 -6.964 -10.804 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 0.821 -12.648 -3.226 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 8.278 1.176 16.266 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 -3.835 -2.942 -4.381 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 -6.043 3.288 0.906 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 4.442 -5.148 12.453 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 -8.092 -5.554 -5.570 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 1.660 3.684 -4.429 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 -24.243 -12.218 -17.624 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 1.574 -6.503 3.994 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 -4.408 5.804 -3.854 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 4.225 4.975 6.340 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 -3.822 -0.151 -5.642 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 5.163 2.113 -5.541 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 12.678 -1.021 10.117 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 1.171 -2.426 8.018 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 -4.689 -3.456 -0.866 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 -16.280 33.282 -15.012 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 0.476 0.496 5.618 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 -0.686 -1.386 1.901 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 3.315 -1.322 6.793 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 3.634 -1.170 1.599 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 1.432 0.573 1.095 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 30.497 -8.244 -4.471 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 2.456 5.706 0.645 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 -0.487 -24.579 -3.226 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 1.857 -0.710 1.611 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 1.359 -0.053 3.886 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 -4.537 6.215 1.676 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 -1.450 -2.663 -0.248 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 2.887 -8.363 3.031 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 0.285 0.269 2.906 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 -5.244 0.128 -0.376 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 3.977 -15.104 10.460 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 0.916 7.284 -4.996 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 -4.212 -15.294 -9.690 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 2.489 -3.061 4.477 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 6.728 5.528 -5.854 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 -13.887 1.777 -2.199 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 3.054 -0.485 2.205 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 -2.516 1.937 -4.367 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 -12.162 5.303 8.729 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 -9.506 -3.499 1.961 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 -12.717 5.146 -0.602 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 -1.392 6.516 2.881 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 -11.791 4.077 0.388 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 -12.424 -13.091 -5.326 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 14.081 21.581 6.024 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 2.438 0.886 -0.370 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 -8.608 -0.417 -1.270 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 -5.892 4.926 1.608 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 -7.562 -2.236 -0.662 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 3.836 0.140 6.070 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 3.449 -2.706 7.563 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 -0.660 -16.004 6.218 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 2.514 5.411 4.592 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 0.535 1.660 -30.274 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 -0.973 -1.001 -2.001 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 5.302 -20.337 -23.855 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 -3.608 2.246 -0.880 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 0.762 -0.827 -0.703 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 2.519 3.238 -1.911 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 2.829 0.543 3.917 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 -0.031 -0.857 -1.474 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 -5.818 3.275 4.969 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 -2.642 -12.716 19.135 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 19.264 -9.840 -13.791 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 0.322 -2.407 -11.490 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 -13.408 5.542 -13.034 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 10.354 0.602 3.243 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 3.057 4.811 0.262 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 16.166 8.388 -8.503 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 -0.911 5.169 -2.233 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 5.418 6.227 6.365 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 7.198 15.962 16.263 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 3.282 3.020 0.171 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 3.510 -5.129 -2.727 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 -3.257 4.309 5.488 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 -4.640 0.274 -8.564 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 -1.780 3.761 3.385 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 -8.190 -23.836 12.727 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 5.999 3.693 -1.124 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 -5.039 -1.298 -0.064 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 -10.538 -7.573 -19.423 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 12.108 -14.219 2.671 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 4.382 -5.116 -1.347 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 4.347 -7.402 8.488 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 -2.194 -2.330 3.662 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 -1.221 -20.404 -1.635 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 2.644 11.460 -0.076 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 -8.740 -0.033 -3.586 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 2.692 -0.126 11.636 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 5.162 12.593 9.433 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 -0.847 3.598 3.733 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 3.115 -1.853 0.675 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 -4.695 -1.933 -3.802 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 -2.607 3.952 0.041 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -0.769 -4.236 2.766 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 2.349 -2.068 4.606 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -10.487 -13.105 8.747 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 0.521 5.904 -24.548 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 -6.059 1.858 -7.766 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 -3.471 -3.113 -11.355 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 1.167 -2.528 -1.736 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 1.425 4.645 1.074 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 12.923 18.205 -11.578 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 0.273 2.603 0.328 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 1.142 -5.200 -1.465 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 -0.911 2.190 -11.190 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 -1.360 -7.786 4.331 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 8.265 0.805 -1.143 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 0.487 0.384 -0.011 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 0.922 -1.411 -2.096 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 3.946 -8.992 9.780 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 3.744 -6.389 -15.991 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 -0.215 -1.281 -2.440 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 -2.051 -8.519 -5.249 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 0.720 8.511 14.475 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 -0.720 -0.181 0.444 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 -7.496 -1.187 10.196 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 -3.948 -5.000 -2.166 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 -8.111 6.077 6.117 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 -0.441 6.363 5.092 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 -3.082 4.964 4.357 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 1.737 1.827 2.160 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 1.499 14.816 -9.472 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 6.373 -2.032 -1.871 1.00 0.00 SBOX O ATOM 2599 P URA A 88 -2.776 -1.951 6.229 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 -2.671 1.701 2.310 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 -2.646 -2.451 -0.009 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 0.943 -1.422 -0.803 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 11.904 6.189 -2.331 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 -16.118 9.111 4.822 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 10.952 8.822 14.072 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 -8.836 -0.146 0.639 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 -25.491 -10.017 9.812 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 -1.255 1.268 6.472 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 -2.111 3.211 -0.204 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 -4.669 10.103 18.196 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 -1.750 6.742 4.279 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 0.369 2.011 -1.552 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 5.961 -0.236 2.998 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 -3.295 -6.676 6.906 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 -15.084 -19.549 -3.285 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 -1.864 5.682 6.549 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 -4.009 -5.767 -4.537 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 -1.170 3.444 -0.864 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 10.470 -18.355 -2.137 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 2.542 3.996 12.598 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 -5.716 -5.607 -2.056 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 -3.056 -2.178 -4.221 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 -34.079 -16.036 32.733 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 0.034 -4.066 5.944 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 -10.609 -20.773 4.572 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 0.117 2.795 -0.685 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 3.422 2.943 -1.121 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 4.717 0.448 -3.680 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 -3.396 -0.502 -3.458 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 5.091 6.539 3.528 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 2.483 -5.146 4.445 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 8.315 -4.009 -2.486 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 1.295 -8.494 -0.197 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 8.697 17.818 -0.518 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 14.277 -8.032 -12.202 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 1.971 -2.321 4.019 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 10.838 10.946 -7.938 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 -2.127 -1.216 -6.603 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 -2.858 3.885 3.249 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 -5.754 11.312 8.576 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 5.162 1.844 3.289 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 -3.313 7.407 -5.156 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 -12.873 16.658 -2.809 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 0.784 3.312 1.055 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 -2.182 4.723 -8.543 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 -1.875 -0.201 5.518 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 3.466 -0.749 2.857 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 2.832 -6.376 -2.831 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 11.098 -7.246 -4.974 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 -0.384 8.919 2.481 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 4.410 -1.093 -1.792 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 1.597 -6.785 -17.137 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 -4.897 -6.221 -30.111 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 -1.392 6.811 1.011 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 4.536 5.792 -0.531 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 4.328 0.778 -0.744 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 2.130 -5.485 -5.431 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 -7.916 -3.320 -2.704 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 -17.063 4.386 8.440 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 -1.163 3.608 -1.354 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 -17.417 -0.757 -24.614 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 -6.724 0.429 -4.865 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 -0.393 -2.777 4.943 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 -0.314 4.862 3.133 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 -0.124 -1.054 -2.451 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 1.320 4.200 -4.996 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 -6.130 -6.105 -4.001 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 -17.551 1.140 19.277 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 -29.222 -6.424 -6.494 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 10.440 -0.294 2.402 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 14.090 10.867 5.776 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 -1.694 3.879 2.968 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 4.274 6.893 -2.776 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 1.561 0.671 -24.964 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 5.033 2.014 2.036 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 -2.826 -0.465 0.841 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 27.595 10.359 19.353 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 1.565 -1.008 0.043 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 3.301 -5.667 2.697 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -0.019 2.291 3.093 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 0.137 -7.061 -3.701 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 18.457 3.628 23.838 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 -0.661 11.916 7.853 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 -0.359 -1.583 1.065 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 3.877 -1.568 1.006 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 14.345 -10.805 -8.979 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 0.827 7.920 6.478 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 3.552 2.997 5.390 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 0.993 -4.557 2.524 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 -13.786 7.056 -18.480 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 -1.249 4.011 9.173 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 4.002 1.464 -12.042 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 0.667 1.111 2.540 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 -15.006 10.315 1.798 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 3.333 -3.543 1.234 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 3.039 -0.910 -0.345 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 3.348 -1.715 1.473 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 -2.026 4.822 -8.021 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 2.109 -2.081 3.818 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 7.594 11.519 1.472 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 0.029 -21.724 20.771 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 -5.813 2.721 15.846 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 -2.950 1.217 -5.769 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 7.472 -30.698 -7.865 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 5.436 9.941 -1.350 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 1.278 -2.396 8.200 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 5.099 -4.022 19.727 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 1.809 -0.536 2.682 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 -5.641 0.522 2.832 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 -16.835 -5.336 9.075 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 8.131 -5.592 -13.118 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 -3.602 1.349 -8.805 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 11.910 -5.086 4.377 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 -1.459 -1.274 7.133 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 3.612 0.231 -3.313 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 6.703 -11.971 12.655 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 5.220 -4.350 0.579 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 2.511 -1.609 6.160 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 10.803 2.509 10.259 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 -0.560 -11.015 0.070 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 -0.055 2.796 3.083 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 2.922 7.495 1.470 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 5.133 -10.818 -5.339 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 -4.575 -1.603 -10.189 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 0.870 2.124 -0.438 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 -4.019 -10.871 0.471 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 -0.970 -4.041 0.959 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 -10.769 -6.568 -2.085 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 -2.800 -3.381 -3.336 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 0.955 0.466 2.740 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 -1.636 -1.430 -4.270 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 5.197 5.233 -6.139 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 -7.219 0.155 -9.288 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 2.963 2.166 -2.733 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 13.796 -20.093 2.035 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 -4.014 9.177 -1.037 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 -3.372 3.710 1.637 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 -1.838 -35.562 -18.189 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 -1.081 7.593 -0.353 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 -5.499 -2.193 1.123 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 -0.027 -9.021 11.600 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 1.438 -0.401 0.076 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 -3.458 -0.901 1.672 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 24.732 23.594 9.536 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 3.325 -3.201 6.777 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 9.621 -3.746 3.319 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 1.572 3.096 1.461 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 -2.545 1.907 0.397 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 15.058 -15.501 34.419 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 -14.352 -1.590 3.631 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 0.088 -0.963 12.719 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 9.023 -2.704 3.461 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 4.578 3.266 3.960 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 -0.825 2.959 3.208 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 4.541 -0.610 1.764 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 -0.438 5.335 -3.715 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 -1.757 -1.346 -5.275 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 1.092 -0.695 -4.575 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 -1.674 -1.136 -3.598 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 0.570 -4.971 3.168 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 -2.346 -2.283 1.893 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 7.673 -0.349 -2.306 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 -0.875 -2.332 -2.744 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 -0.814 -6.098 -8.575 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 -3.537 -6.828 -0.085 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -12.785 17.582 8.643 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 2.262 2.850 -7.719 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 -0.687 -2.871 7.682 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 9.901 -5.094 3.898 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 1.238 -9.855 6.000 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 -1.840 -2.413 3.973 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 6.621 -9.929 9.486 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 2.550 2.289 -1.916 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 2.845 -1.474 5.450 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 -12.267 21.373 -1.582 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 -2.017 -8.958 3.523 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 6.488 -2.064 -15.116 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 -3.697 2.330 -1.387 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 1.534 3.303 4.625 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 2.495 0.681 4.835 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 8.403 7.602 -9.450 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 3.064 -2.164 0.550 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 0.604 -1.762 -2.684 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 -1.442 -2.162 -8.492 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 4.595 6.485 2.886 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 -6.494 4.859 -0.857 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 -6.391 10.705 3.494 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 -0.950 -16.836 -6.724 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 2.793 1.600 -4.016 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 -11.713 4.427 -10.939 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 -3.454 4.269 3.077 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 -0.155 -0.578 1.308 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 -22.998 4.581 -15.744 1.00 0.00 SBOX ATOM 2794 P ADE A 94 -1.337 -3.959 0.416 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 -6.612 7.033 4.551 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 -1.611 4.386 -0.990 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 2.858 4.046 3.616 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 3.835 1.233 -1.895 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 10.158 -5.088 19.683 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 -0.835 0.252 3.871 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 0.549 6.458 4.747 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 -5.149 3.640 -6.465 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 -4.832 -3.389 1.603 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 -1.429 5.228 2.173 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 -27.316 -15.331 13.289 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 -2.772 2.703 -2.065 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 1.281 -3.318 1.584 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 -10.901 7.733 7.782 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 -7.404 1.792 0.339 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 -5.452 2.182 0.251 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 -7.520 0.686 4.728 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 1.895 -5.489 -0.595 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 16.525 -7.074 -3.812 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 3.975 10.864 -0.368 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 -4.618 3.340 2.299 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 -1.943 -2.388 0.896 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 11.718 10.365 4.081 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 -4.952 1.702 -7.061 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 -1.289 7.307 -2.115 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 0.450 5.783 -3.840 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 -26.951 3.106 -25.455 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 -2.833 -11.420 1.077 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 -9.214 -4.792 10.984 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 0.925 0.111 -3.813 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 8.798 -1.917 -3.904 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 -0.645 3.751 6.924 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 17.715 6.960 20.448 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 -5.884 0.714 14.391 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 -5.945 -3.474 1.962 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 -14.168 8.333 -6.919 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 1.555 7.200 13.999 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 -3.685 -4.673 -0.192 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 5.026 -3.980 -5.880 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 -7.538 -6.238 19.633 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 -3.325 5.388 2.907 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 -15.416 -3.010 15.327 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 -0.251 2.564 -25.446 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 -4.500 1.560 -5.771 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 -2.470 -6.229 8.148 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 -0.925 0.202 -0.670 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 7.989 -0.113 -7.756 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 8.689 -4.181 -2.698 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 -2.243 6.541 -21.389 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 1.598 11.201 -3.714 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 6.117 9.303 6.036 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 -1.936 13.456 -6.807 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 3.342 -0.338 4.175 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 2.447 0.127 5.100 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 11.776 -20.592 -2.329 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 5.269 -1.285 0.638 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 0.661 2.506 -1.430 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 6.860 -1.946 0.841 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 1.634 6.359 8.271 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 6.091 6.231 10.896 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 1.139 2.829 9.434 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 -0.966 0.795 2.069 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 -0.211 11.058 -4.537 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 -18.415 -8.397 5.249 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 -4.438 -4.981 2.814 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 0.821 -7.966 11.391 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 -0.942 -10.931 3.661 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 -7.407 4.386 -1.859 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 3.240 -13.608 -19.619 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 -14.286 8.710 13.051 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 -3.789 -5.852 3.841 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 7.340 -10.299 -6.333 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 -3.342 8.133 2.064 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 2.869 -1.782 -4.791 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 -2.273 -7.119 -14.216 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 5.243 4.141 -13.597 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 3.420 1.840 -5.332 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 4.746 4.304 -9.062 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 3.612 0.171 -0.042 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 -3.879 -3.084 -4.160 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 -3.689 -8.590 -8.110 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 -14.478 -11.715 -1.335 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 0.801 -3.579 1.068 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 -14.744 2.929 -9.472 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 4.057 -8.437 4.608 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 -7.111 2.566 1.975 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 -8.787 -2.699 19.419 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 13.503 -1.066 -0.369 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 -5.810 -0.902 -0.091 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 -0.313 -3.290 -8.202 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 -4.914 -8.084 -1.199 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 -5.364 -4.609 -2.947 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 12.399 -16.899 -6.959 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 12.510 8.311 12.415 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 -5.183 -3.889 1.465 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 -5.558 0.840 -1.631 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 -1.288 -5.547 1.659 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 -2.693 0.611 1.373 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 6.234 6.161 18.000 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 -21.474 -2.289 -3.912 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 -3.556 2.889 -0.869 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 10.021 -0.194 3.570 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 14.180 -3.141 12.178 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 -1.079 -5.124 -1.296 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 0.921 5.764 17.757 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 0.171 -13.677 3.967 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 5.043 -3.008 0.281 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 3.274 -1.916 -4.074 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 7.343 0.097 -7.026 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 9.633 0.909 -1.181 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 20.215 11.365 21.957 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 2.704 -4.776 -12.150 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 -1.767 12.602 -7.420 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -29.567 9.701 -7.349 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 12.384 -1.635 7.420 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 -4.626 -3.470 2.038 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 -11.562 -0.298 1.022 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 -8.746 0.889 4.521 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 0.716 0.690 0.397 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 -1.837 12.810 -9.391 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 -2.102 15.886 -10.395 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 6.132 -3.804 1.769 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 0.508 -19.024 15.349 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 3.025 -5.212 -8.743 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 -0.954 -2.988 2.735 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 4.244 3.434 0.839 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 -11.695 7.836 -5.353 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 1.193 3.532 0.263 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 -13.472 -0.789 -0.036 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 8.631 -3.719 4.877 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 3.188 -5.606 2.552 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 23.284 -10.242 -2.511 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 -3.846 7.249 5.785 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 1.592 -1.951 -0.465 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 -11.495 -2.248 13.007 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 2.579 -2.428 -3.186 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 -5.681 -6.595 3.379 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 -3.979 -17.244 -30.075 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 2.498 -7.300 -11.657 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 3.741 -1.181 -0.148 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 -40.464 8.520 1.233 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 8.941 -17.678 13.627 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 -6.479 1.286 -0.181 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 -20.711 6.082 9.839 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 -7.713 -10.493 2.137 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 -0.068 1.834 2.922 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 -3.805 -1.990 -22.478 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 -0.524 -1.955 -6.807 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 0.536 0.697 1.209 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 6.199 21.524 -1.233 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 -15.442 8.904 12.235 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 1.930 1.644 3.232 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 12.446 -26.403 7.877 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 -4.851 8.146 2.093 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 2.542 3.320 0.223 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 3.079 2.458 -0.814 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 -6.686 7.943 -6.553 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 2.320 8.306 -2.852 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 2.794 7.106 -0.525 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 2.966 4.025 -5.862 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 -4.556 4.742 -5.358 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 1.533 -6.750 4.093 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 -7.438 20.485 -3.012 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 3.807 9.867 -0.254 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 13.953 17.176 1.813 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 23.275 24.053 5.455 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 5.778 -3.715 -1.822 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 -9.081 7.475 14.174 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 0.232 -21.086 7.759 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 -3.152 -5.657 6.578 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 0.937 -11.889 -3.620 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 3.948 -17.353 -12.003 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 3.021 1.753 -9.485 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 -9.389 2.387 -18.158 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 -2.799 -0.497 -11.533 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 -4.437 0.648 2.957 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 5.090 20.373 7.546 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 -24.700 5.713 -6.012 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 0.116 -1.125 1.142 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 -4.723 7.403 -5.873 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 13.602 -0.109 0.125 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 -8.452 2.656 0.860 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 -7.912 6.573 -0.851 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 -8.719 7.942 13.549 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 1.382 -7.991 0.096 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 -39.701 4.547 0.063 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 -4.648 1.029 4.367 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 2.418 -4.489 1.494 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 6.485 0.473 -9.974 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 5.395 -2.198 7.223 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 0.881 -1.359 -3.606 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 10.186 -33.137 2.288 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 7.702 -1.368 -2.155 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 -0.622 -3.302 3.325 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 -17.357 -35.893 -12.596 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 -6.783 28.630 -27.070 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 -3.892 -2.382 3.988 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 -16.818 -4.220 5.242 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 -4.643 -14.498 0.924 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 -2.247 -0.873 -6.614 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 -14.149 0.387 30.256 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 -1.208 1.260 -3.602 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 0.123 1.652 1.172 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 18.326 3.884 7.862 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 -0.872 -8.420 12.252 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 0.182 -5.199 0.987 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 -1.284 -2.348 0.146 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 6.421 17.864 -2.835 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 0.275 -3.348 4.383 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 3.609 6.456 4.891 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 -8.070 -10.949 -15.287 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 -0.751 2.679 4.607 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 5.877 13.783 1.223 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 1.788 -1.683 -4.622 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 1.112 -6.338 2.886 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 10.947 -11.798 5.907 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 0.412 -3.563 8.220 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 -1.782 -1.009 -3.292 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 1.824 -3.952 5.151 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 -3.126 0.431 -5.588 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 -0.476 0.915 4.735 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 16.834 -11.137 8.500 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 -1.448 1.583 4.481 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 -3.131 -0.948 -2.579 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 8.296 -10.230 -1.353 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -13.522 2.308 -2.681 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 -3.249 6.829 -0.235 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 2.147 -1.960 -9.844 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 -9.575 21.149 10.226 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 -0.363 -2.780 -0.520 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 -13.792 -7.564 8.247 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 5.478 2.813 -13.237 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 1.405 2.997 3.737 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 -0.909 18.558 -12.790 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 14.747 5.402 5.543 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 2.269 1.358 -3.870 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 5.348 8.594 -3.322 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 -2.050 -0.302 -5.920 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 -3.925 -1.122 1.103 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 42.575 -15.218 -0.034 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 -14.465 -19.986 10.185 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 2.902 -6.174 1.963 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 9.943 -11.242 -6.577 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 -2.995 -24.630 2.325 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 6.097 3.021 6.331 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 -2.296 -5.542 16.550 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 10.098 -7.745 -6.378 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 -2.704 1.377 -0.476 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 15.571 -3.636 25.780 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 -1.075 29.795 -3.871 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 1.619 -4.268 1.688 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 2.171 -6.661 2.125 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 -1.063 -3.633 2.513 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 -1.918 -2.725 -9.944 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 -13.886 5.671 4.380 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 21.624 -21.526 -3.617 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 -5.494 3.727 -1.479 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 5.341 -26.938 -0.260 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 -4.461 18.940 -5.333 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 3.929 -0.476 3.909 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 6.187 -0.149 -0.471 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 29.247 1.448 -8.226 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 -0.703 3.679 4.821 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 2.619 -0.094 -9.768 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 12.772 1.163 5.808 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 1.295 4.238 -1.876 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 7.835 2.909 6.951 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 5.851 -1.975 4.289 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 -0.017 -2.680 -7.656 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 17.117 6.119 -24.533 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 -8.140 11.849 13.865 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 2.843 -0.561 -1.277 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 -6.418 14.169 16.117 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 -5.090 9.981 7.392 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 -0.742 0.009 -3.259 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 1.908 11.915 -9.552 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 -5.845 -0.071 -4.323 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 6.638 1.519 -1.707 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 -2.591 0.087 1.960 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 5.521 -11.097 17.113 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 -1.782 3.217 0.202 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 3.845 3.500 -5.325 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 -3.061 -1.588 0.803 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 3.573 -2.489 -9.275 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 5.748 -4.554 -21.391 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 2.497 2.166 -22.795 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 -2.001 -0.856 -0.617 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 5.381 8.626 -32.910 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 -11.319 -22.033 -11.772 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 -9.184 -3.756 -6.043 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 31.554 2.513 -12.289 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 -15.615 10.465 31.342 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 1.817 0.588 8.769 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 0.257 2.464 11.901 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 0.564 7.231 -3.011 1.00 0.00 SOLV ATOM 3090 MG MG X 205 0.279 1.286 1.118 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 6.462 -3.065 6.428 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 3.477 -2.258 3.313 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 2.194 -2.698 4.180 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 1.379 4.957 -3.036 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 -2.111 -2.917 -0.019 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 5.000 -20.719 -18.755 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 1.029 -0.666 -0.013 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 2.126 -1.132 2.291 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 1.667 -7.896 -11.602 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 6.471 12.070 -1.411 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 6.267 28.578 -0.409 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 1.011 1.172 1.699 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 -6.464 -1.541 2.159 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 -9.114 13.785 -38.050 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 0.285 -2.674 3.148 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 -1.121 -3.899 5.800 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 9.598 -1.578 7.432 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 -0.007 1.831 1.784 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 -15.294 24.237 -0.882 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 3.032 10.903 11.959 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 -0.532 -3.196 -2.155 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 -16.943 -34.179 20.188 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 -3.458 -2.636 -1.389 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 12.814 -5.574 10.022 1.00 0.00 SAM ATOM 3115 N SAM X 301 2.978 -4.933 4.876 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 5.588 1.320 -1.187 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 3.853 -3.099 9.054 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 -4.543 -0.263 -0.277 1.00 0.00 SAM ATOM 3119 CA SAM X 301 0.343 3.552 4.796 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 7.865 -15.307 14.596 1.00 0.00 SAM ATOM 3121 CB SAM X 301 0.566 4.365 -3.557 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 15.596 -9.419 6.041 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 27.674 -33.252 15.007 1.00 0.00 SAM ATOM 3124 CG SAM X 301 1.557 1.737 -6.091 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 9.406 -4.869 -3.438 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 3.583 -4.546 -2.332 1.00 0.00 SAM ATOM 3127 SD SAM X 301 -0.364 -5.272 -0.308 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 3.567 -0.598 -3.107 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 2.914 4.439 28.470 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 3.757 2.129 5.400 1.00 0.00 SAM ATOM 3131 CE SAM X 301 -2.770 -3.259 0.362 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 -5.349 -16.652 -35.908 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 4.594 -6.499 18.465 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 -13.266 -11.312 -9.510 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 1.173 -5.091 -4.441 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 2.395 18.541 3.014 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 2.502 -3.796 -3.297 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 -3.890 27.816 -11.916 1.00 0.00 SAM ATOM 3139 C SAM X 301 -0.723 -4.970 -0.993 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 4.668 -3.235 6.257 1.00 0.00 SAM O ATOM 3141 O SAM X 301 4.085 -1.776 -0.821 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 -1.044 2.975 3.419 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 1.937 -0.648 -1.921 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 -4.538 17.885 4.613 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 -7.589 3.836 2.530 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 -35.656 -1.022 -10.529 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 5.659 -7.087 -10.764 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 -3.985 1.875 -0.674 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 9.991 13.448 13.169 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 0.354 -19.830 -0.404 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 -0.039 4.445 -7.290 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 12.415 5.712 6.545 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 -3.087 2.758 -5.141 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 0.301 -1.101 -0.572 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 0.031 4.952 0.115 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 11.834 11.584 6.398 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 -1.100 -1.779 1.126 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 -15.038 -2.920 -1.228 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 -5.559 -1.693 -8.735 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 3.025 -2.215 3.988 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 2.878 -12.912 9.404 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 4.460 9.444 -6.602 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 -2.432 -6.256 -5.722 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 -6.891 -4.275 -4.322 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 2.659 -7.439 -8.289 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 1.044 2.320 3.977 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 8.736 6.536 -16.060 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 -10.511 -17.208 -8.099 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 2.554 -0.163 1.173 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 23.095 14.015 -5.416 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 4.616 7.906 -37.961 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 0.098 8.572 0.049 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 -17.604 -28.911 -0.588 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 21.313 -0.158 4.302 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 -1.851 -4.822 0.635 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 -1.972 -11.929 2.037 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 4.933 -3.451 -1.573 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 -6.422 1.387 -2.137 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 5.447 15.191 -11.445 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 5.202 6.674 2.703 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 -2.166 2.177 7.755 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 -21.646 -10.408 -20.262 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 5.700 -3.701 11.968 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 6.247 -1.773 1.043 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 14.090 2.122 -4.173 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 8.528 -3.164 6.364 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 -3.893 1.909 4.905 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 15.225 -1.056 -21.009 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 -24.166 -3.985 -6.101 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 -1.604 -2.256 0.082 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 2.220 14.098 24.641 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 -6.508 -11.225 6.638 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 3.483 -4.764 -2.833 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 -8.762 -22.426 5.840 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 9.041 -21.590 0.348 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 8.480 6.317 4.120 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 -3.723 21.987 -22.588 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 10.768 6.627 14.271 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 -3.007 2.588 -0.526 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 1.017 -5.012 -8.853 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 1.573 20.641 -7.889 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 -1.705 -3.049 6.184 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -11.082 16.946 -13.502 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 0.999 -10.401 13.754 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 -4.800 0.907 -6.647 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 5.083 22.439 12.066 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 1.668 4.112 -2.008 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 7.285 -1.931 -5.339 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 -6.838 -9.212 6.330 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 -9.296 28.665 -22.781 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 -1.529 0.024 -3.350 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 -5.287 -3.662 -0.913 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 -2.505 0.938 -5.555 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 2.966 2.730 -4.167 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 0.712 -9.189 -8.082 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 12.501 26.067 -25.258 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 0.734 -0.419 -0.633 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 -8.062 -1.846 -2.129 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 -11.354 -2.732 -3.137 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 0.702 1.160 2.800 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 -7.852 2.936 7.207 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 -18.877 -10.262 21.890 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 1.888 -4.728 3.073 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 -3.491 -34.726 -20.316 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -29.367 -1.814 26.881 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 -2.020 0.721 -5.266 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 -14.745 -18.976 -14.895 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 -7.180 -2.940 23.697 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 1.255 -0.870 1.743 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 -3.361 -4.233 3.363 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 11.984 15.321 10.423 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 1.753 -1.762 -0.345 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 -13.736 -5.066 -9.243 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 5.375 -4.506 0.736 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 6.193 -4.274 0.306 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 -22.792 -3.777 17.938 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 21.933 -18.253 27.652 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 -7.051 4.241 0.757 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 2.979 14.152 9.795 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 -22.468 -9.846 -7.307 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 3.141 0.668 -6.907 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 -5.813 9.714 5.794 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 37.262 1.230 11.181 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 6.772 -3.821 -3.275 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 22.117 -3.891 -14.647 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 4.675 14.695 -1.504 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 -0.853 3.562 -2.961 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 -34.486 25.064 10.280 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 6.006 1.163 3.945 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 -2.574 -1.011 1.549 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 10.562 -6.736 1.993 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 2.397 2.404 20.297 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 -6.400 -4.831 2.402 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 -25.207 -16.808 12.272 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 -18.776 -10.704 5.166 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 0.001 -4.447 -2.812 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 -3.246 -19.862 4.104 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 0.661 -5.782 -0.752 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 0.323 2.866 -1.990 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 6.860 -5.868 -11.302 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -4.246 -6.721 9.571 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 -0.047 -3.871 -1.065 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 -13.562 -15.203 -6.997 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 -17.732 -22.729 -5.172 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 0.256 0.841 -6.894 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 -4.006 15.948 3.623 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 6.740 -5.188 6.056 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 2.179 -2.879 -1.252 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 7.500 -15.755 -1.944 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 -5.755 17.942 -10.441 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 -1.899 -2.436 -5.951 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 -1.716 -7.250 2.350 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 -1.405 -10.827 13.566 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 -2.048 -3.710 -1.834 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 0.024 -6.324 -6.219 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 0.040 0.203 0.577 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 -1.524 -0.645 -7.412 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 13.021 7.392 18.067 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 5.598 -12.813 -12.965 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 -7.855 -3.962 -6.856 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 -7.111 -5.515 -5.709 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 -1.554 -3.110 -0.005 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 0.907 -2.116 1.387 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 -12.263 0.390 7.024 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 9.568 -2.975 0.481 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 1.402 -4.275 -0.460 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 -0.424 1.279 -7.928 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 7.880 -9.659 -1.482 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 -0.284 3.966 -2.751 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 -1.682 15.055 20.137 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 26.931 7.952 0.607 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 -7.808 0.554 -7.427 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 11.681 -5.733 16.411 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 2.601 -9.868 -13.304 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 2.691 -0.014 0.678 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 11.274 -2.447 -5.720 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 4.601 -5.622 9.545 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 -0.392 -6.861 -0.714 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 -3.017 -10.725 0.198 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 -14.174 -13.073 -3.898 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 -5.637 8.235 0.393 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 0.462 13.995 7.252 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 -14.666 -1.847 -11.025 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 -6.325 4.727 4.442 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 -12.607 25.206 -9.721 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 -20.460 6.604 6.678 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 -8.539 -3.809 7.056 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 -16.626 10.752 -10.487 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 -18.034 6.802 25.945 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 -2.624 -3.602 1.265 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 -8.090 -7.238 1.619 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 -13.323 3.904 -19.674 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 6.692 1.363 0.175 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 -8.393 20.665 9.698 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 4.773 5.368 1.728 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 1.258 -4.314 -1.796 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 -9.290 18.482 -9.694 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 3.862 -2.004 21.268 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 3.297 -4.705 -2.254 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 -24.031 19.756 4.649 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 5.654 -3.834 -1.358 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 4.802 0.870 5.825 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 -4.373 16.248 23.489 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 12.159 -12.804 -6.126 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 -8.328 2.800 5.948 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 -1.453 1.268 1.919 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 -8.200 9.581 6.990 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 -6.787 0.959 3.708 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 1.172 -5.753 5.135 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 -2.395 9.856 4.065 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 4.193 -7.322 0.048 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 14.538 15.207 -13.778 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 11.956 -16.983 12.236 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 -1.613 0.978 1.390 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 -16.091 -0.294 -28.460 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 23.745 9.336 25.155 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 -0.940 -3.349 1.897 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 -11.451 -8.630 -22.303 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 -6.277 -13.388 -16.006 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 1.853 -2.117 -0.667 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 0.795 -10.651 6.140 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 5.809 -2.920 -0.395 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 -1.882 4.380 2.135 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 8.063 9.373 -5.407 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 -16.143 0.035 16.951 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 -4.102 -6.639 -3.804 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 -9.287 10.101 -4.611 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 -1.448 -4.571 10.825 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 -7.379 1.382 3.455 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 -3.629 1.123 8.556 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 -5.194 -2.124 3.591 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 -0.682 -2.038 -1.739 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 0.332 12.528 8.657 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 12.063 -23.159 12.173 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 2.454 0.574 -4.477 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 23.236 -2.182 18.376 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 16.144 -3.999 2.254 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 -1.739 0.238 -3.679 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 -25.382 3.955 -0.073 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 13.984 -22.153 -16.435 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 0.104 4.436 1.001 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 0.538 4.174 -3.138 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 12.252 2.373 -16.043 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 1.735 -7.919 5.201 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 19.559 -10.893 -11.555 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 15.525 -9.924 -3.621 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 -6.369 3.161 0.912 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 -17.413 -12.791 5.920 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 11.161 -3.925 -7.390 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 -0.897 -0.944 2.519 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 20.059 10.947 -9.469 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 3.937 -38.673 6.264 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 3.520 -4.720 -0.287 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 25.981 -0.154 -8.946 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 18.851 6.366 21.499 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 -4.438 -6.039 3.988 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 15.203 7.929 -3.836 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 -4.049 -4.466 7.708 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 -5.341 -0.939 2.327 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 0.458 2.102 -2.264 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 -3.461 0.143 -3.424 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 10.576 -5.084 -4.445 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 1.572 -3.129 2.595 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 9.961 -4.650 -8.866 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 -1.636 -6.807 0.728 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 -2.767 -10.954 -12.093 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 7.022 0.081 -3.388 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 5.800 1.366 1.548 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 -2.126 -0.341 -3.243 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 0.342 -0.038 -4.099 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 1.959 0.396 -3.475 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 0.612 -6.042 -8.905 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 2.810 -3.940 2.996 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 2.909 -0.356 -5.473 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 -4.005 16.105 16.111 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 0.770 -4.846 10.648 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 2.706 6.749 4.770 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 4.642 19.885 12.803 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 -7.853 4.378 3.442 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 -0.956 -2.738 -0.217 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 -0.021 -2.290 8.782 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 -7.737 -22.397 -0.665 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 5.662 -2.712 1.003 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 5.854 -17.652 13.842 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 -9.702 3.778 0.632 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 -0.483 2.651 8.123 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 8.308 -1.920 1.142 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 15.743 -17.074 -3.996 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 6.650 0.370 -1.035 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 5.369 -26.920 -21.730 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 -17.316 -3.759 4.973 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 5.518 0.404 -6.551 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 -20.984 -10.207 8.115 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -14.401 -2.407 -11.611 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 7.990 -3.684 9.455 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 32.048 2.484 -3.751 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 9.844 7.985 -6.049 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 -3.275 -0.293 -4.422 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 4.674 -5.651 -17.212 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 3.400 -1.546 10.783 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 -2.958 -2.195 3.911 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 2.632 -16.771 6.299 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 -4.764 3.661 2.236 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 -3.914 4.032 -0.734 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 2.877 0.629 -0.307 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 -10.392 5.880 1.765 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 1.405 -0.202 -7.731 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 3.099 22.470 0.548 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 -10.287 4.103 -12.860 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 -0.709 -0.989 -5.346 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 -7.548 -2.464 2.977 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 -5.202 6.146 15.058 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 -0.695 -0.207 -5.523 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 -1.618 9.292 -9.934 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 -5.111 -3.266 -2.627 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 2.022 1.267 7.375 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 -18.822 -1.861 18.108 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 8.329 1.703 -3.044 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 2.265 4.606 -0.603 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 -27.236 -4.502 -19.784 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 -9.757 16.465 -1.145 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 -0.352 2.511 0.499 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 -15.157 -3.921 -14.795 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 -6.519 19.256 0.261 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 -1.557 5.663 3.699 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 -4.904 4.941 7.185 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 -2.634 9.431 1.593 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 3.982 1.329 5.074 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 1.209 4.419 1.674 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 2.311 4.668 1.753 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 8.460 7.266 -3.817 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 -4.210 -13.112 30.583 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 -13.975 3.148 -19.209 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 5.102 -3.722 -1.808 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 3.707 0.873 -6.034 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 3.649 2.929 -3.279 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 2.753 -1.946 2.009 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 2.911 -0.396 14.598 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 2.166 -3.919 7.079 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 -0.359 4.043 2.976 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 -0.673 3.576 1.731 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 14.339 0.080 7.402 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 -7.114 2.332 4.784 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 -7.448 13.628 2.750 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 -4.018 8.458 -1.779 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 3.499 -1.596 -4.091 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 5.680 -4.496 -16.162 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 11.075 -8.002 0.241 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 -1.206 2.378 -1.217 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 -2.218 4.194 6.628 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 1.618 25.161 15.112 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 1.352 2.792 -5.519 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 -15.949 -0.327 31.828 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 -3.983 -0.507 28.257 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 4.982 1.231 -3.720 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 4.120 -3.947 -7.298 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 7.165 0.258 1.183 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 4.025 2.621 7.154 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 18.850 0.361 13.258 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 21.447 -20.276 34.438 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 -1.665 -3.160 4.702 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 10.377 -3.582 12.636 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 10.767 -3.962 -3.586 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 2.182 -0.555 -1.044 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 -11.412 4.485 2.184 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 21.328 3.779 -4.656 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 -1.800 1.390 2.253 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 0.299 2.583 -3.540 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 10.917 -1.371 -13.886 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 -0.350 -2.660 -1.518 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 9.568 4.944 -1.424 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 7.736 9.731 -3.424 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 0.506 2.650 -3.709 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 26.778 5.824 -7.576 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 13.540 7.384 -15.949 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 2.815 4.542 2.547 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 -2.790 -8.799 -10.704 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 -8.846 -4.845 1.845 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 -2.232 7.079 0.355 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 5.682 -2.474 6.745 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 3.210 -32.713 3.572 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 4.325 2.389 3.567 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 26.219 4.718 12.927 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 -4.141 1.888 0.693 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 3.952 4.556 0.079 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 -16.533 -22.785 12.717 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 17.526 -16.034 18.926 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 -4.706 -0.284 1.248 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 22.638 16.833 31.000 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 -2.018 -7.178 0.877 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 3.836 0.133 -0.210 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 0.764 2.151 -8.576 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 3.496 10.684 -5.242 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 0.567 0.564 -1.581 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 13.236 11.444 21.403 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 4.927 4.708 -11.330 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 -0.155 3.067 -0.872 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 17.788 9.617 25.488 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 -0.999 -6.795 11.360 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 -1.384 -2.328 -0.489 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 24.758 -2.900 2.312 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 21.679 -1.839 1.878 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 2.770 0.744 2.570 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 13.977 3.785 4.405 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 -23.836 -12.234 19.804 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 5.795 -3.596 -5.452 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 4.055 -9.665 -6.524 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 -3.045 -21.337 -9.044 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 0.978 3.677 -4.071 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 5.051 1.783 -1.405 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 -1.263 14.001 8.363 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 0.824 -2.592 -0.311 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 3.382 -13.499 -4.881 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 -9.584 -13.553 -10.206 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 2.451 1.610 -1.817 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 -2.884 1.182 6.159 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 -4.181 -0.518 8.236 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 0.277 6.254 0.131 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 -1.004 3.489 12.986 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 -1.678 0.068 -17.404 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 3.965 0.423 4.786 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 -19.108 4.022 21.705 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 22.312 22.026 -17.426 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 5.712 -2.205 0.701 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 2.424 -8.051 -0.628 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 -4.532 -2.082 -14.704 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 -3.486 4.672 0.635 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 0.635 4.766 -1.118 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 -6.713 1.607 0.779 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 4.137 -5.511 7.251 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 3.177 8.422 6.028 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 -20.185 -14.127 13.578 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 -3.275 2.871 -0.255 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 -5.277 -2.753 0.337 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 -5.253 5.301 16.145 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 -3.439 4.329 -2.235 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 6.282 2.737 1.332 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 2.331 1.382 4.803 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 -5.242 0.919 3.305 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 14.558 -21.521 5.450 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 -9.557 0.459 -17.129 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -0.330 6.413 3.250 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 3.089 13.838 2.412 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 -6.805 1.191 5.637 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 5.351 -3.505 2.336 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 -5.951 9.528 -1.691 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 -21.310 -0.699 -3.967 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 4.149 -0.420 3.127 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 -2.481 1.757 8.941 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 11.718 -7.344 -1.779 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 3.717 1.189 -2.475 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 15.176 2.104 9.216 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 -7.614 19.487 -2.628 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 3.068 0.781 1.121 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 -6.226 35.316 17.925 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 1.152 1.303 -0.134 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 3.005 -1.817 -1.759 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 4.014 -7.176 20.195 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 5.122 -6.343 11.932 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 0.312 -1.235 -6.151 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 -1.079 0.306 -2.462 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 -1.334 3.227 6.468 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 5.204 -2.815 3.282 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 18.742 -15.308 6.001 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 -8.395 2.576 -17.335 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 0.845 8.844 3.437 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 4.288 1.970 1.425 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 -2.403 3.420 -7.662 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 -5.469 -4.886 -0.589 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 -13.292 0.645 10.991 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 -1.119 -7.379 -22.466 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 -4.136 2.725 4.627 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 -2.871 4.597 6.429 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 -7.198 1.137 1.813 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 6.903 5.178 -0.150 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 5.827 22.570 -3.658 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 4.319 2.529 5.864 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 -1.054 -1.342 0.551 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 5.196 -17.937 -6.604 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 -4.171 -3.367 -3.333 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 3.320 -2.390 4.876 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 10.448 -10.024 0.589 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 -12.112 7.115 7.039 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 -1.430 2.306 1.223 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 -27.576 16.609 -7.667 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 10.469 -3.296 -17.089 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 1.318 -4.393 -1.217 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 1.963 -6.138 -3.222 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 7.804 1.449 2.284 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 -1.336 -6.873 7.395 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 7.110 8.788 -11.290 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 6.242 5.295 -8.239 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 3.431 -0.556 5.131 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 4.251 -1.380 6.659 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 0.104 14.861 -4.279 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 7.283 4.138 0.672 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 10.611 20.473 10.259 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 -8.658 3.200 0.086 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 4.429 -1.671 1.626 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 -11.240 -11.203 -8.512 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 -16.543 5.795 19.435 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 8.776 -0.566 -1.161 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 17.077 13.384 -6.035 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 0.598 -6.701 1.896 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 6.958 6.920 4.868 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 12.892 -6.404 17.768 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 17.011 19.847 10.421 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 6.640 -6.491 -0.265 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 -2.660 -3.076 -7.418 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 25.108 -8.122 1.105 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 1.732 0.740 -1.335 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 -3.188 14.531 -3.607 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 24.357 2.382 -18.692 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 -8.549 5.091 2.581 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 -14.547 -1.972 8.037 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 -5.364 1.156 9.949 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 -6.425 -3.139 1.459 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 -4.874 -13.962 8.967 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 -3.868 17.769 13.256 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 -3.167 1.065 -4.188 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 4.939 8.572 7.930 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 -6.658 11.092 -11.815 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 -3.882 -2.775 3.876 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 -19.174 -5.624 -15.527 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 0.647 5.143 23.546 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 -3.585 1.204 -0.479 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 -20.110 0.002 8.716 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 5.852 15.177 4.968 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 1.375 3.536 1.601 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 -11.243 -3.982 -8.276 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 -12.566 22.040 -7.493 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 1.935 -1.271 -1.953 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 8.645 14.798 0.064 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 9.686 18.745 2.241 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 -0.272 3.384 2.912 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 -7.237 2.004 41.378 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 -2.161 8.378 -9.012 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 -5.486 -1.060 0.878 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 16.478 4.658 -8.931 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 -10.499 -2.869 1.779 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 -1.779 2.528 1.196 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 -2.579 10.193 4.331 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 1.084 -2.790 11.873 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 6.084 2.269 -3.176 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 15.166 19.856 9.575 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 1.998 7.994 -1.254 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 -3.358 0.823 3.561 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 9.991 -6.022 -1.238 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 -9.934 -15.977 -8.261 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 -2.064 -0.158 0.576 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 -14.050 0.609 -6.650 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 7.065 -4.884 -15.038 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 8.348 2.518 -3.424 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 0.500 -8.888 24.026 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 14.404 -13.296 -11.739 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 -3.583 -5.627 -4.232 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 -20.209 -9.852 -30.509 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 8.610 -2.643 4.660 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 4.455 -8.158 0.055 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 3.653 -19.495 -21.634 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 2.281 -13.774 -2.193 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 -3.981 -5.932 -2.662 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 -9.904 -4.768 -16.576 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 9.634 -5.985 8.105 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 1.048 1.242 -1.917 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 -1.541 6.173 0.680 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 4.619 -1.953 -8.593 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 -3.921 1.095 2.292 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 -3.280 -0.777 8.550 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 -1.036 -4.795 -0.216 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 0.105 -7.716 1.889 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 14.068 12.250 0.031 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 -1.118 -5.685 7.073 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 -6.067 -6.827 -3.344 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 -4.661 -3.774 1.032 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 -5.789 -8.037 -3.077 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 3.417 1.032 3.642 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 6.815 6.354 -6.386 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 -2.727 8.766 8.390 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 2.548 -2.522 0.370 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 -2.079 -6.127 -7.847 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 -1.979 -18.910 -1.040 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 2.270 1.556 -4.230 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 -7.270 3.766 -14.418 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 -14.500 -2.630 -6.086 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 -2.697 1.501 2.931 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 5.394 -0.950 10.753 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 9.338 -11.848 9.209 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 -0.953 -1.239 -3.420 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 9.504 -0.580 -15.301 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 17.482 -12.355 22.764 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 -5.696 4.677 -0.296 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 -35.486 -9.270 5.177 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 5.254 -0.355 -14.439 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 -6.350 0.552 1.879 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 -7.484 0.234 -0.725 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 -5.654 0.882 11.557 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 6.390 -4.972 6.857 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 -15.455 -5.589 -2.440 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 -11.633 -24.475 1.695 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 -0.221 -0.263 2.511 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 -5.099 -15.940 2.693 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 -7.846 28.081 6.152 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 -6.358 1.204 1.063 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 -0.206 -14.434 12.146 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 -3.015 -7.630 3.811 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 4.548 1.486 -1.866 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 5.768 6.972 2.804 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 5.111 -4.494 18.161 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 -0.407 5.924 -6.425 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 -4.409 15.902 3.311 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 -20.454 8.763 20.076 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 3.364 -0.361 -1.169 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 5.805 0.249 -6.940 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 -27.370 -14.128 5.307 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 0.931 -2.662 4.022 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 -2.374 8.341 6.638 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 1.471 4.173 7.566 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 0.594 -0.149 7.333 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 8.669 -17.101 -3.715 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 14.874 23.705 3.923 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 2.036 -0.746 -3.271 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 -3.875 9.664 -9.102 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 3.046 -4.390 -0.042 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 0.224 -8.070 -2.548 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 -11.610 -23.957 -0.204 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 -3.086 0.957 6.222 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 9.100 2.925 5.293 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 10.790 6.248 0.361 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 3.043 -11.464 8.419 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 0.116 3.994 1.581 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 2.763 10.887 15.980 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 -15.679 8.033 1.150 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 -3.244 -1.562 -3.845 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 -3.655 1.287 -8.582 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 1.799 -8.507 -3.497 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 0.850 -1.175 3.028 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 4.604 -13.247 29.154 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 4.596 -28.873 -11.042 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 -6.991 1.149 2.266 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 3.156 6.431 -9.169 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 -5.050 9.907 13.901 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 8.650 -0.641 5.985 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 -12.061 4.897 2.022 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 29.797 -3.803 10.348 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 -1.106 3.092 -1.333 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 -4.403 -2.108 -4.723 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 2.109 8.006 -6.421 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 -5.113 0.364 -0.306 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 7.736 6.135 -28.434 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 5.653 4.156 -7.673 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 -2.877 1.264 1.501 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 2.140 2.615 7.717 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 -8.667 4.740 -4.003 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 -1.294 -1.335 1.571 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 -0.880 1.627 -1.022 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 -11.689 -10.335 -2.174 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 1.351 -2.989 -2.941 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 8.981 -9.540 -4.442 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 3.303 8.364 6.216 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 0.951 -2.444 4.677 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 16.510 12.798 16.075 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 5.056 -9.538 8.246 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 -0.620 0.075 -4.691 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 -1.248 -8.373 -9.115 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 11.446 7.809 9.305 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 -2.270 -4.614 -2.245 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 5.913 -10.130 7.259 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 -10.891 -10.022 1.746 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 -9.913 4.355 -1.422 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 -2.157 6.150 -0.779 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 4.187 10.444 -11.995 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 3.732 2.221 2.886 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 16.048 -20.545 -8.614 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 -23.678 -5.109 3.213 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 -0.483 9.450 -6.931 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 -18.694 5.594 -31.727 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 3.286 -10.776 -5.055 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 -2.985 5.782 -1.948 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 -10.001 -8.088 5.981 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 6.155 18.259 13.650 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 -4.346 0.032 1.345 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 -7.403 0.720 -5.530 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 -4.386 -0.166 1.910 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 0.773 5.685 3.373 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 3.223 8.330 -3.844 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 5.019 20.024 -20.965 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 -4.261 5.005 -8.710 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 -0.373 -11.804 -26.631 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 -31.530 4.744 -3.975 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 -2.094 3.975 2.784 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 4.102 5.947 -5.194 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 5.575 15.574 6.891 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 3.675 -0.353 2.728 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 8.162 -1.683 1.141 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 5.205 -0.666 5.337 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 -4.641 3.225 2.840 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 -3.596 9.836 12.811 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 -1.056 7.539 3.346 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 3.444 -2.306 -2.649 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 -6.317 9.678 -9.120 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 7.279 15.561 -15.819 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 5.283 -0.166 4.109 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 17.025 10.438 1.394 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 -9.477 -5.058 19.802 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 -0.319 -0.296 2.284 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 11.845 -12.416 -1.070 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 14.435 7.086 6.959 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 -2.045 1.991 -2.359 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 1.149 0.860 7.641 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 -4.579 14.025 -5.779 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 -1.307 -1.890 4.120 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 -11.090 15.083 7.002 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 -2.708 10.595 15.623 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 -6.802 1.406 0.254 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 -10.787 42.960 -41.832 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 -15.260 -2.413 -14.299 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 1.979 -3.885 1.328 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 5.039 -1.114 5.322 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 -1.306 -0.818 -0.921 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 -0.114 -6.740 -2.125 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 -10.963 -12.757 -15.606 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 7.435 -4.500 3.454 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 -2.014 -0.296 1.051 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 -13.475 -3.154 2.608 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 3.858 11.201 8.043 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 -3.585 0.784 0.812 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 -4.758 -3.111 -1.264 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 1.064 -11.370 4.361 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 -0.126 4.082 -0.098 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 -1.830 24.315 -2.554 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 1.934 -0.269 12.412 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 3.992 -7.480 5.110 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 6.690 19.017 -15.070 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 9.702 15.304 -2.746 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 -1.292 3.891 6.019 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 -5.163 4.674 -15.926 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 8.504 -15.729 27.183 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 3.715 -4.007 0.030 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 0.671 -15.781 -1.055 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 -7.301 2.163 2.798 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 6.753 0.565 3.207 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 -0.716 2.047 3.101 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 5.243 -1.370 9.680 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 3.267 -3.073 6.227 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 12.531 5.618 11.124 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 5.459 -4.960 -4.923 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 -2.535 0.762 -7.676 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 -15.171 -16.684 3.913 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 20.574 1.889 -17.536 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 1.109 8.693 5.173 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 14.697 -2.756 2.424 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 7.473 11.064 -12.033 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 -2.166 0.025 -5.921 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 -10.970 -9.623 -16.482 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 -19.998 -10.728 3.784 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 5.248 -2.678 -3.062 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 7.053 -7.215 -2.614 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 1.928 -31.324 -22.331 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 -4.024 0.868 0.788 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 -6.854 3.319 6.183 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 8.203 12.395 -6.445 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 1.512 1.323 -5.170 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 3.250 -0.191 -7.054 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 4.048 -1.675 -9.190 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 -4.991 -9.551 -7.311 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 -0.248 -4.908 -1.481 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 -2.095 -5.786 -13.696 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 -6.212 -1.747 -0.505 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 15.050 -1.362 -3.428 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 18.420 -9.174 -17.497 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 4.544 -2.016 -2.843 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 1.006 9.429 13.253 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 7.761 -4.289 -2.432 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 -4.987 3.973 -1.404 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 -4.735 2.297 -3.622 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 12.572 -10.841 5.493 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 -6.007 2.299 -4.348 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 -3.638 -9.218 10.296 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 2.869 -12.008 24.668 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 1.238 4.032 1.963 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 2.442 3.775 0.649 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 13.304 25.762 7.256 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 -0.909 0.210 -0.330 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 4.328 -8.428 -18.996 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 -3.090 -1.544 -1.222 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 3.395 2.974 -4.758 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 4.022 -9.295 4.790 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 11.664 15.725 0.274 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 -8.887 -0.814 -3.375 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 -2.649 -5.180 15.686 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 3.850 -3.903 -4.028 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 -0.167 -5.287 3.934 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 -6.319 2.408 20.644 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 3.296 -17.650 2.647 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 -2.473 -0.742 0.424 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 -12.924 -8.789 19.749 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 17.049 -0.915 5.483 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 -3.538 -12.168 4.432 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 -4.465 -17.635 4.550 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 -0.439 -17.000 24.335 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 -8.737 3.567 -6.765 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 -26.645 1.164 -26.438 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 -3.955 1.857 -13.208 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 0.824 7.100 -0.492 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 -3.021 30.742 6.510 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 0.776 -5.304 9.967 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 5.429 -1.323 2.430 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 21.417 15.535 7.298 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 -2.285 19.032 1.210 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 -3.045 0.393 -0.714 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 -8.161 -11.415 2.331 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 33.620 -2.002 3.364 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 2.688 1.950 1.349 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 24.349 26.727 -17.492 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 2.173 6.038 -8.766 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 4.016 2.747 -3.788 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 -7.136 20.612 -4.369 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 1.111 23.034 -20.909 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 -4.209 -3.658 3.709 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 -12.560 -13.449 1.490 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 0.249 -4.813 8.275 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 -1.048 1.974 8.453 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 13.031 -3.810 0.088 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 -5.902 14.003 -4.501 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 -2.927 8.984 1.998 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 -3.147 14.086 0.110 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 3.323 16.657 -0.060 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 7.988 -5.730 -4.900 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 10.288 29.762 7.117 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 17.286 7.539 13.054 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 0.586 0.483 0.479 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 6.512 -5.702 -4.738 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 -3.645 -4.244 2.321 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 1.545 4.371 -0.142 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 5.755 7.030 -3.197 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 8.373 16.128 -6.173 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 -1.359 -1.638 -4.775 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 -29.440 -9.082 17.802 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 22.477 -11.536 26.066 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 0.633 -7.596 -5.240 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 3.150 -0.648 -18.377 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 -1.472 -9.546 -4.886 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 -0.049 -1.863 2.708 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 -10.465 -1.855 2.677 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 8.309 -5.390 3.618 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 -4.305 3.866 1.909 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 13.773 22.299 23.397 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 -33.660 3.864 14.428 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 -3.172 2.500 1.049 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 -0.445 7.554 5.279 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 -2.316 2.510 1.156 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 2.402 4.712 2.712 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 10.909 13.261 -5.583 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 -11.908 10.798 1.125 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 -4.466 4.723 -1.392 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 -9.203 0.668 -3.822 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 -0.743 10.973 4.651 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 -2.051 3.041 2.989 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 -4.633 10.196 0.547 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 26.666 0.500 -1.005 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 -3.039 1.154 -1.489 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 -5.229 -29.419 -11.882 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 2.416 3.646 -1.616 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 6.458 2.396 -3.916 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 -5.059 -13.324 0.260 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 -3.252 -0.174 3.454 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 3.312 2.424 3.682 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 -6.551 -3.895 0.640 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 -3.209 3.422 -0.558 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 5.469 -0.692 -6.622 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 6.939 5.601 -10.155 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 4.061 0.940 -0.000 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 -3.401 -2.504 -2.795 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 1.272 -5.200 8.858 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 -0.639 0.647 -6.925 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 2.455 1.693 -3.592 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 -14.432 10.969 6.210 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 -12.954 7.473 -19.459 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 -5.401 4.374 3.715 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 -7.473 -3.227 9.945 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 0.075 -6.736 12.008 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 -1.332 3.336 1.261 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 2.340 4.347 -31.962 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 -50.117 4.108 26.466 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 3.194 -0.317 3.378 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 -14.475 5.844 -12.037 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 9.198 -23.359 -2.459 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 3.179 -8.188 0.544 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 11.221 -4.446 10.369 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 3.626 -0.748 12.395 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 -5.410 -5.524 2.298 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 -5.190 -14.779 8.490 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 -10.667 -6.141 -0.646 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 -7.449 4.056 -2.556 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 -29.644 10.742 -2.940 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 -8.569 -15.009 13.083 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 -3.493 7.724 -2.513 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 -26.400 -10.133 -10.651 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 -16.606 -4.811 0.895 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 -0.207 -1.622 -2.814 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 28.408 21.266 18.554 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 -2.679 17.544 27.144 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 0.074 -1.025 0.918 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 -6.832 -9.141 -2.508 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 1.162 -12.134 10.203 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 -4.461 -0.873 -1.368 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 -10.861 0.302 -1.150 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 6.240 -1.512 0.727 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 -1.931 5.289 -7.306 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 4.806 -16.877 -12.015 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 0.826 19.896 5.155 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 -2.860 2.583 -5.769 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 -4.140 5.121 -7.309 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 -5.118 -7.062 1.328 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 3.137 -4.330 1.731 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 -4.673 1.201 6.000 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 1.927 -3.389 -2.048 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 3.581 -1.440 -8.036 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 6.940 -15.749 14.202 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 -2.620 -10.407 -9.122 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 -4.539 2.007 2.527 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 2.299 5.975 10.461 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 0.931 22.326 -4.434 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 5.063 5.735 2.437 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 16.875 16.272 11.907 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 1.276 -8.192 13.093 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 2.268 -0.576 8.345 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 -8.438 -5.401 -0.615 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 -1.511 -8.591 17.319 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -4.101 1.458 3.026 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 -11.379 6.220 2.922 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 -3.467 -2.894 -1.762 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 3.364 9.573 -5.315 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 0.371 14.901 -2.316 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 16.829 4.441 -26.654 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 -0.689 1.182 -1.924 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 -19.813 -24.296 3.123 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 9.833 -7.928 12.546 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 -1.207 -4.530 0.954 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 -8.061 -3.064 3.465 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 4.151 -1.643 2.201 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 2.241 -0.754 -3.610 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 11.861 0.267 -10.214 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 -2.978 12.906 -7.688 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 -0.735 -5.019 -3.046 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 -7.791 -5.582 8.323 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 -7.588 -0.856 -6.746 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 -4.875 8.606 1.210 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 -2.353 1.458 -13.658 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 -9.519 5.985 0.634 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 0.443 -3.624 2.661 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 2.245 11.397 9.990 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 0.356 -29.050 -0.278 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 -5.720 -1.470 -3.552 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 -10.358 -2.686 -7.053 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 1.522 -7.474 -0.489 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 -4.005 5.269 0.568 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 -12.763 0.245 8.963 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 7.582 -2.671 1.473 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -3.962 -1.028 11.147 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 -8.512 -5.480 12.056 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 8.863 10.002 9.692 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 9.090 3.855 5.923 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 13.319 -10.233 17.948 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 41.259 7.801 5.358 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 -3.745 -0.888 5.430 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 -3.479 -27.995 18.192 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 -0.766 17.987 -4.866 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 -5.378 -0.907 0.918 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 -4.329 9.917 -4.028 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 5.807 -12.998 -0.430 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 2.088 -0.572 -0.781 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 -1.944 4.708 -8.795 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 17.398 8.440 7.024 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 -0.668 1.897 -1.688 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 7.057 1.490 4.137 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 0.784 10.461 -6.139 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 0.400 4.160 6.258 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 -7.499 16.493 13.377 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 3.727 -4.897 -6.001 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 2.679 0.667 0.906 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 -9.575 -0.346 -15.790 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 6.874 -0.409 -8.936 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 1.654 -2.545 4.164 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 19.993 13.421 16.738 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 12.768 -29.796 -11.879 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 -0.051 -1.902 -3.063 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 -12.900 -21.551 18.397 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 9.567 -7.988 21.867 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 -0.917 0.829 4.185 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 -5.276 7.363 -11.110 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 3.140 -26.544 -14.790 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 0.519 4.459 -0.106 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 -8.403 22.170 0.728 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 8.246 -6.430 4.846 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 -7.966 -9.590 -4.438 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 26.358 -2.928 -17.519 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 -14.092 -9.251 2.223 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 0.218 -4.525 7.503 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 8.365 -8.165 17.350 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 9.327 0.621 5.725 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 -2.211 4.556 -11.710 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 21.866 9.987 -12.074 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 13.036 3.489 -9.577 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 -2.595 -3.654 0.013 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 -10.948 2.548 15.900 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 7.849 2.767 -4.341 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 0.237 -5.375 3.714 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 -5.209 -33.801 -4.662 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 6.370 -22.891 -10.977 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 -1.449 -1.548 1.962 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 3.359 -15.410 13.343 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 -37.736 22.260 13.153 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 3.501 -0.525 0.899 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 13.412 16.462 24.990 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 25.009 2.379 -19.989 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 3.544 2.077 -2.024 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 -1.598 -26.725 29.910 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 -3.854 1.501 -1.521 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 -0.342 -0.704 0.223 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 4.600 1.288 27.028 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 -1.568 6.456 14.739 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 1.587 -0.630 -3.966 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 29.826 -12.349 2.564 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 -1.052 -1.532 -35.393 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 11.693 2.369 -5.927 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 6.879 10.514 -0.316 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 12.826 11.831 4.133 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 6.743 2.846 -2.397 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 14.048 -7.931 -4.069 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 3.702 10.405 3.594 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 -0.681 3.150 -6.319 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 7.535 -2.818 -4.041 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 -3.131 9.975 8.089 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 -0.189 -4.851 7.212 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 -2.532 -8.254 16.746 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 8.798 4.139 -25.676 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 -7.710 -6.201 2.086 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 -0.430 14.444 -18.299 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 -41.345 -13.501 -8.458 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -3.625 -3.128 6.195 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 2.441 -7.021 14.186 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 -4.387 -13.443 6.322 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 0.732 0.105 -4.303 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 25.379 -15.119 -10.537 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 -0.459 8.501 22.034 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 -1.962 6.221 1.463 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 -8.250 1.560 11.744 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 7.132 15.188 -0.511 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 -3.665 -0.550 3.572 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 5.960 -3.592 2.412 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 -10.179 -15.142 9.621 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 -0.846 1.292 0.958 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 19.825 0.546 -12.307 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 -13.437 8.201 -15.446 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 -0.745 -0.479 -0.246 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 -27.393 -9.297 -23.892 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 1.845 0.601 -8.931 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 1.943 -7.762 -5.217 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 -12.054 -13.788 -7.504 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 1.540 -3.331 -5.191 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 1.681 -4.198 -5.381 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 16.363 14.393 -17.672 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 -4.725 2.153 0.342 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 0.738 4.215 3.209 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 1.004 -12.514 21.586 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 19.983 -9.671 12.977 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 -0.034 -3.901 3.783 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 3.291 -17.683 -3.695 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 8.379 11.400 7.145 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 0.679 -6.255 -3.543 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 -1.344 -12.053 -6.124 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 -3.497 -15.975 -6.309 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 5.061 -1.117 0.660 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 2.176 -11.548 10.328 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 5.355 2.380 -2.588 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 -4.192 -3.770 1.294 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -8.021 -16.859 9.345 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 -1.702 -7.579 5.900 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 -1.451 -8.083 3.407 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 10.763 -6.108 7.095 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 -6.104 -4.078 14.640 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 0.200 0.110 -0.948 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 -20.647 7.329 -7.999 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 -17.807 0.826 8.192 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 5.317 -0.683 -4.254 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 -0.141 -4.276 2.420 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 4.853 -1.655 -6.014 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 -0.166 -7.374 -0.558 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 1.815 -5.973 -2.449 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 -2.111 -8.306 -0.413 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 3.225 -2.075 10.390 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 19.661 15.345 -6.636 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 -30.397 19.939 9.255 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 -7.487 2.493 0.461 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 -8.785 3.894 1.730 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 -11.681 7.436 -3.410 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 -1.569 -0.307 1.737 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 1.592 -2.389 2.422 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 15.405 -2.117 10.307 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 1.133 6.719 -0.916 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 -10.537 1.382 1.918 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 23.589 2.584 14.078 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 -3.265 -2.022 1.443 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 -10.292 1.155 -5.908 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 -5.673 -9.710 14.444 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 -5.814 -0.403 6.769 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 -5.771 -21.324 -4.565 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 4.220 16.466 -11.358 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 -0.464 6.383 -6.996 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 0.877 9.015 6.068 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 -0.050 7.570 -1.137 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 -6.797 0.043 5.513 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 -11.984 -4.579 11.328 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 16.663 -7.031 9.942 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 0.246 2.540 -1.363 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 7.891 19.091 -19.412 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 3.751 2.695 -9.984 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 2.987 8.903 -2.815 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 -8.620 -0.132 1.423 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 13.370 5.516 -17.260 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 -2.955 4.087 1.591 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 -11.305 2.791 -5.531 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 0.985 18.286 9.835 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 4.198 -0.868 -2.572 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 -0.897 -3.420 -6.623 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 8.705 13.256 -0.997 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 -4.950 3.204 6.474 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 -15.110 11.161 18.863 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 4.096 -10.323 32.414 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 3.719 4.149 6.602 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 14.574 21.128 -6.855 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 1.819 -1.290 -19.026 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 2.209 4.197 -1.298 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 -19.533 17.638 4.009 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 -0.363 22.823 -19.699 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 2.015 2.051 -5.773 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 -8.839 -6.238 -21.532 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 5.982 -16.722 9.901 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 -1.892 4.935 1.944 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 14.267 4.420 3.920 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 -3.924 2.758 -1.108 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 -2.818 -4.536 -0.224 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 -2.508 -6.157 -4.117 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 -6.655 -3.595 0.457 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 1.061 -4.209 -2.909 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 5.080 -10.945 20.609 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 2.146 -5.900 3.243 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 -4.873 0.020 3.694 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 4.947 -1.909 -1.971 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 -7.632 10.127 0.237 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 -4.523 0.337 0.070 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 6.770 -3.641 -7.667 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 -7.322 -0.214 -2.695 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 -2.604 -1.528 0.335 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 18.612 20.647 -20.885 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 -10.664 5.452 7.321 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 4.846 -1.560 -0.545 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 8.914 5.460 -1.256 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 1.409 -10.934 -16.906 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 1.696 -3.681 2.371 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 12.273 -15.760 13.289 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 20.019 -4.865 -3.593 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 -2.564 -1.515 -4.481 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 1.703 -0.536 -2.712 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 -1.938 -1.660 -1.148 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 0.002 1.646 -3.035 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 3.628 20.005 23.181 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 -10.431 20.653 13.182 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 0.554 2.275 -1.313 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 7.241 4.200 1.253 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 -21.961 10.082 -4.256 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 -0.140 2.019 -2.442 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 -1.646 -1.030 2.529 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 -30.195 -17.417 5.750 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 4.986 -1.778 3.190 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 -4.144 -20.347 -11.303 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 10.949 -16.979 -33.380 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 2.296 -4.880 -4.896 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 21.541 10.492 -10.404 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 8.894 -0.506 -2.520 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 0.358 -3.655 -0.818 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 -11.359 11.693 4.562 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 3.575 1.001 -20.084 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 -0.187 -2.353 -1.517 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 5.387 -15.712 -7.907 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 -20.310 5.698 -20.716 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 -8.322 -5.815 -0.964 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 -22.931 20.163 20.179 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 -7.187 3.867 -9.703 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 4.920 4.342 -4.095 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 6.460 12.316 5.607 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -11.375 -8.347 -2.765 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 -0.857 -0.412 -5.521 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 -6.317 2.586 -14.317 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 -6.723 -5.454 1.145 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 6.281 3.101 -1.259 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 -13.569 14.902 -3.393 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 1.337 -17.293 -13.511 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 2.934 5.611 -2.165 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 1.216 -7.654 -7.238 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 0.700 -14.452 -9.765 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 4.766 3.957 -0.240 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 -1.654 -24.178 14.635 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 -18.241 -23.175 -1.556 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 1.435 -3.259 3.481 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 -0.478 0.878 1.197 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 11.710 -11.664 -3.933 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 4.062 1.621 -4.057 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 11.384 4.852 -6.404 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 4.790 -5.753 -5.981 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 5.555 0.488 -7.788 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 1.875 23.404 2.769 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 6.901 -5.616 -12.226 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 1.604 -9.474 -2.328 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 18.951 -6.765 -6.844 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 -11.743 -10.558 0.693 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 -1.780 4.018 -5.069 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 1.160 -15.925 2.845 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 11.944 -3.681 -3.994 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 -2.641 -7.686 6.878 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 -11.832 29.318 24.347 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 -3.705 -14.930 2.245 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 2.939 -3.109 1.030 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 -22.030 -6.590 6.815 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 -22.191 6.608 -6.309 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 -8.087 4.484 -3.332 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 -9.802 13.685 -2.543 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 -7.350 -6.356 -4.951 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 4.679 0.370 -4.040 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 -6.539 -21.662 -25.510 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 22.296 33.543 -14.666 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 1.306 -1.614 -3.394 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 -7.501 -3.109 7.445 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 8.054 1.334 -9.017 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 0.459 -2.762 6.822 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 -2.513 4.956 32.522 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 -0.282 -8.362 -1.001 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 2.716 4.539 -4.182 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 8.254 -2.368 4.484 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 -3.023 20.506 1.977 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 2.687 -5.409 -5.156 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 3.544 -0.486 -24.018 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 0.858 -20.680 -16.682 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 3.498 3.453 -6.442 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 1.855 16.790 -1.323 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 4.206 9.860 -11.086 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 -2.708 -3.122 -4.399 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 -1.828 -17.942 -14.072 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 -1.052 31.393 -10.151 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 1.212 0.405 -1.743 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 -7.404 0.366 10.639 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 -0.821 0.499 6.825 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 -6.747 2.160 -5.185 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 -5.358 -4.262 -17.238 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 -0.269 -10.067 32.264 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 8.258 -5.643 5.704 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 7.556 12.304 27.816 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 33.219 7.179 35.898 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 2.779 -4.191 0.559 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 8.359 -0.591 0.465 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 -6.487 -14.186 3.338 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 -2.311 0.432 1.937 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 2.037 -7.062 4.108 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 2.861 4.104 -3.966 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 -1.153 -2.823 -1.541 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 17.930 10.871 -21.005 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 3.416 -7.236 16.071 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 -1.468 -2.449 -0.996 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 -1.455 -25.287 1.018 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 0.626 -2.606 -20.381 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 -1.935 3.064 -3.634 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 -10.598 -9.282 -10.055 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 21.144 34.891 9.227 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 1.095 6.777 0.779 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 -8.152 -1.044 -0.216 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 14.467 8.949 -2.078 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 -2.623 -1.078 0.453 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 3.806 0.695 3.823 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 21.249 13.037 8.072 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 -5.093 -4.301 6.013 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 2.732 5.610 13.473 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 6.582 1.347 -5.376 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 -4.605 3.563 1.114 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 11.196 10.417 -0.361 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 -1.773 24.534 9.829 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 -2.701 -0.267 -3.237 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 18.288 2.071 17.913 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 -2.455 0.022 12.931 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 -1.681 -0.948 6.655 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 -9.662 -2.707 10.647 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 -15.103 1.063 23.107 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 -6.827 -1.187 0.874 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 -18.912 -2.758 21.074 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 8.100 -21.447 8.939 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 -5.370 -1.104 -0.884 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 -1.993 -0.373 -0.446 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 8.597 7.664 7.302 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 4.356 10.266 4.362 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 -18.030 -1.401 -10.727 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 2.865 8.848 15.178 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 3.729 1.956 -7.071 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 -2.166 9.467 -14.397 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 12.181 -8.477 5.238 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 5.507 -1.002 5.051 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 1.440 -14.539 -0.331 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 2.064 -14.344 0.851 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 2.826 4.832 -5.728 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 -5.863 -14.370 -6.215 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 24.348 3.612 -1.249 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 2.280 -3.352 0.139 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 23.161 -4.728 -12.454 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 6.453 -9.226 -4.403 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 -3.285 -1.162 2.097 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 -2.555 -6.590 12.985 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 -4.381 8.483 3.120 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 -2.020 3.687 7.204 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 -0.513 -7.058 15.492 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 1.304 -6.789 0.330 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 7.434 -3.030 0.389 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 14.320 3.741 1.802 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 -14.964 -1.471 -15.822 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 0.842 3.842 1.223 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 2.887 4.686 -3.851 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 2.648 0.933 4.844 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 2.700 0.975 -0.461 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 12.476 5.123 8.627 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 12.255 2.245 0.597 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 1.747 1.775 0.695 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 4.858 18.874 2.362 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 11.469 -4.686 -0.095 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 -2.672 1.938 1.267 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 -12.181 -7.674 -2.650 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 -13.447 1.730 -2.037 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 -4.207 4.336 5.802 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 -10.324 6.778 -3.561 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 -6.365 -5.497 -0.495 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 4.823 4.525 -2.978 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 7.574 -19.322 -0.255 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 3.185 4.732 -20.437 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 -1.442 -0.254 3.847 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 -9.906 4.433 -5.715 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 11.647 2.411 -5.664 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 5.785 9.402 1.626 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 0.449 16.511 -10.973 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 19.606 17.177 0.241 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 0.619 3.401 8.877 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 1.911 3.552 2.497 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 -3.768 -3.556 8.259 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 -4.466 4.033 0.683 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 -11.575 5.199 -1.394 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 -13.737 0.136 -13.075 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 -2.368 -2.240 -4.507 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 -2.029 -10.007 -11.195 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 -11.995 -1.530 -1.990 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 -4.923 5.042 -3.683 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 -9.146 10.757 -3.531 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 -19.497 21.404 -18.050 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 -4.903 5.005 4.954 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 0.467 -1.543 -3.269 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 12.813 9.249 1.317 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -1.751 -0.961 1.692 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 3.596 -15.848 1.777 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 -5.162 -3.270 3.214 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 -1.832 -2.142 3.414 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 15.764 -12.023 -4.186 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 6.842 13.002 5.847 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 -8.983 2.797 5.624 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 5.791 22.521 -2.926 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 18.117 -6.785 9.799 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 5.872 1.084 7.356 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 19.329 -12.346 9.249 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 -31.653 -4.453 -17.059 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 -3.436 1.412 0.632 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 29.918 18.506 -14.298 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 -2.982 -7.076 -0.231 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 3.033 -2.581 2.256 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 1.450 14.292 -2.124 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 9.476 1.945 6.036 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 -1.319 2.276 0.288 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 -8.743 -0.349 8.799 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 6.391 4.423 -4.474 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 3.497 0.908 -2.816 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 -5.415 12.506 14.603 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 6.943 -14.924 12.594 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 1.747 1.449 -2.195 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 5.278 10.739 6.721 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 9.392 17.649 13.585 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 -2.902 2.767 -1.561 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 3.689 -17.210 10.768 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 -2.436 3.999 8.802 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 3.259 6.635 1.733 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 0.980 15.351 9.088 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 -2.960 8.415 -7.756 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 1.021 -1.555 -7.814 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 6.104 14.651 -17.359 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 6.374 -2.189 -10.684 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 1.748 -2.372 5.477 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 22.434 11.091 -19.884 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 -4.514 5.823 3.281 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 -1.337 -4.271 -1.531 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 15.005 5.430 2.175 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 -6.577 -10.040 22.077 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 4.384 1.593 7.289 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 5.072 2.101 8.785 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 -16.581 -5.331 -12.811 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 -0.762 2.659 3.024 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 -3.479 7.329 -13.646 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 13.621 4.310 5.546 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 -1.001 -6.214 -5.826 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 0.301 0.029 3.390 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 2.495 24.853 11.971 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 6.145 -4.162 -0.948 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 12.592 4.824 8.053 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 -16.627 4.355 11.144 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 4.833 5.157 5.005 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 -1.102 9.322 5.777 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 13.001 1.513 -2.779 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 3.586 -2.192 -3.197 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 1.142 0.420 -3.297 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 -6.540 -6.525 -9.401 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 -3.865 -4.661 3.479 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 -12.140 0.596 -3.882 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 -8.115 -8.834 5.176 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 4.374 -7.259 -5.740 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 7.237 -8.987 -18.710 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 2.381 -16.790 7.097 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 -0.094 0.958 -4.738 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 -3.349 -12.505 -12.787 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 20.467 1.669 -5.273 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 1.348 0.086 -3.744 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 -0.397 12.235 7.731 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 12.514 -27.531 -2.139 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 0.393 2.345 6.852 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 27.996 5.247 -10.757 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 20.292 12.854 -3.367 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 2.800 -1.221 1.114 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 20.867 -14.160 -4.726 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 -6.661 13.936 14.847 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 -4.379 3.457 -0.835 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 6.921 10.182 -4.606 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 -1.565 -2.985 1.479 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 -3.890 -1.946 0.348 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 16.414 9.859 -0.547 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 -9.624 -2.521 9.433 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 1.522 -4.359 1.616 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 -2.939 11.103 23.511 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 -6.233 -4.767 -41.220 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 -1.146 1.160 4.055 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 -0.175 1.239 2.882 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 22.277 -6.234 20.583 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 1.013 2.270 1.345 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 -5.278 3.927 6.575 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 -4.281 1.874 -6.323 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 6.347 -5.118 0.771 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 -13.336 -7.414 -18.658 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 -7.774 -0.502 23.718 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 5.415 3.477 1.839 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 8.268 -16.003 7.009 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 -13.939 22.792 3.799 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 2.975 -2.947 1.175 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 3.777 -4.167 -0.433 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 6.592 -13.337 6.698 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 1.908 -4.512 -2.469 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 1.231 3.417 6.471 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 -5.201 -10.086 -1.836 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 -2.597 0.027 1.595 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 3.267 14.373 26.924 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 -26.066 15.126 30.017 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 -4.904 1.829 -0.141 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 5.165 -4.418 -19.325 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 -1.676 -19.290 -17.995 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 -0.171 0.530 0.865 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 -0.061 -5.598 -2.041 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 -6.433 -23.421 -9.436 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 -1.784 9.010 -1.074 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 -0.139 3.913 -10.859 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 -14.479 8.718 -8.981 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 0.704 -1.057 -3.062 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 2.237 -20.670 -5.674 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 -1.101 5.026 -24.397 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 -0.600 -1.200 5.389 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 24.788 -31.464 13.026 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 -14.030 9.402 -4.060 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 0.929 4.549 2.951 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 -1.639 2.308 2.277 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 -4.829 -9.692 4.183 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 2.295 4.656 -0.475 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 -5.466 11.972 -0.716 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 -2.702 0.606 -8.210 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 -4.044 2.576 -3.849 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 -18.447 -5.824 -10.310 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 2.277 9.210 -1.519 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 1.630 -1.338 -3.578 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 6.476 -4.918 1.876 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 0.376 -4.584 -4.770 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 2.110 3.080 2.606 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 15.588 -12.131 8.386 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 4.858 -12.450 8.733 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 3.961 -3.374 -5.535 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 7.863 -4.432 -1.951 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 8.260 -10.756 -7.088 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 -7.133 -1.376 -1.340 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 8.246 -3.110 14.095 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 -12.021 20.651 -1.431 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 -5.295 -5.820 -3.317 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 4.948 -4.853 0.738 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 -5.240 -11.126 -11.669 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 1.242 -4.332 -0.335 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 -8.304 -7.559 7.458 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 19.630 11.218 4.674 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 0.628 1.936 -2.920 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 -16.548 1.032 0.566 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 -3.916 1.871 -22.560 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 -4.982 -4.919 -2.219 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 -13.457 -7.754 1.639 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 -0.690 -16.060 3.019 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 -2.808 1.739 5.112 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 5.268 -10.146 20.436 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 4.170 -13.944 11.819 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 6.717 3.532 3.729 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 -1.725 -8.830 19.299 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 7.243 13.195 8.771 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 -1.810 10.180 0.557 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 2.051 6.335 -7.223 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 6.100 6.339 10.058 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 -4.161 2.805 1.313 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 1.160 -11.952 -0.237 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 9.596 6.863 3.286 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 3.620 -0.281 0.472 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 14.779 9.209 -4.143 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 14.707 -8.109 13.354 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 -2.154 -0.033 1.720 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 0.548 7.384 0.053 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 -2.055 1.606 1.250 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 -9.472 -0.670 -1.402 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 11.490 15.559 0.576 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 -3.266 -3.699 -3.310 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 -0.865 5.354 0.272 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 3.800 -8.224 0.960 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 -0.881 18.717 8.520 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 1.716 -5.467 -1.612 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 15.351 2.404 -6.005 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 2.679 20.600 18.370 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 5.156 2.541 3.023 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 -2.221 3.554 2.550 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 30.227 1.701 4.621 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 -1.335 -3.166 -2.901 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 16.264 2.461 -6.815 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 21.906 -15.378 -13.206 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 -0.451 5.374 -2.529 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 6.040 -4.543 -5.419 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 26.660 12.723 19.468 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 0.497 -1.262 4.436 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 4.397 20.323 -17.953 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 1.508 5.440 -2.536 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 -4.708 0.542 -0.288 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 -2.991 -9.791 -1.390 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 -8.294 0.882 -9.790 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 0.154 -1.346 -0.895 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 -2.589 -8.562 3.416 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 -0.260 3.257 2.179 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 -7.909 -3.469 -9.051 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 -11.474 -5.377 1.882 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 -20.924 25.535 14.418 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 -3.414 0.262 -1.511 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 -0.507 11.372 -4.883 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 -0.695 -14.001 -14.675 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 -0.422 5.194 6.462 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 7.130 5.009 0.312 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 5.359 2.317 1.755 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 -1.934 -1.694 5.204 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 -2.263 4.754 10.620 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 -9.959 6.571 -27.137 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 -4.698 -4.017 6.267 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 3.085 -9.671 4.456 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 -5.839 -9.569 12.739 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 8.010 7.632 10.893 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 -13.479 19.997 3.946 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 11.277 -11.154 -5.222 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 1.495 -1.211 -4.074 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 -16.324 19.371 3.774 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 12.947 -26.140 7.360 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 -0.505 2.134 1.759 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 0.966 -10.515 -2.653 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 -21.727 18.063 -5.333 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 0.145 0.174 -4.166 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 13.450 -15.558 -10.663 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 -34.985 -4.180 -2.048 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 -5.996 3.364 -3.248 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 6.527 -0.062 -11.650 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 -16.184 5.478 2.092 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 0.771 -4.323 5.126 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 -27.065 -2.297 -6.132 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 -6.611 -2.231 2.806 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 -1.431 -3.292 4.239 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 22.596 5.510 -24.704 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 4.544 -2.630 -1.755 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 2.199 6.098 6.670 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 -3.894 36.664 -18.955 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 -12.916 -16.991 21.924 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 3.240 4.435 -1.874 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 6.236 9.141 -7.806 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 -25.189 -14.265 -35.273 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 -4.501 -2.347 0.119 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 18.196 -10.081 -25.815 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 -12.752 -1.062 5.105 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 -7.805 -3.474 -2.534 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 5.516 -21.717 1.442 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 -20.781 -6.813 -4.582 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 -4.691 -2.688 2.055 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 -4.350 -3.428 -4.230 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 -16.433 4.533 11.551 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 -0.735 -2.646 -0.689 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 0.471 -5.115 23.818 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 -6.929 0.644 -14.412 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 3.073 -0.021 -3.776 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 -13.296 -18.964 -28.663 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 2.017 -4.545 -6.718 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 -2.146 -2.078 -5.103 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 -9.718 -19.972 3.867 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 5.423 24.229 -12.392 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 4.897 -1.668 3.406 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 -12.093 -0.670 12.491 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 8.955 2.993 -8.402 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 -1.783 3.942 1.397 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 2.402 5.963 10.487 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 -28.400 13.126 -9.127 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 -3.518 -4.658 1.332 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 8.098 -2.989 -5.019 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 32.245 0.435 -15.285 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 2.876 12.453 2.315 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 30.861 0.884 14.831 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 19.247 -9.118 -6.272 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 -1.221 -3.269 2.693 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 -5.787 2.623 9.529 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 -8.919 0.555 -6.044 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 -2.239 -12.367 6.368 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 -6.485 -8.552 9.068 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 0.720 -10.762 3.083 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 -4.127 1.057 2.194 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 -6.898 11.239 9.228 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 4.118 9.446 -11.128 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 1.007 -2.809 -2.208 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 5.107 -24.980 -9.974 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 -2.091 21.843 -6.171 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -4.801 5.269 -5.076 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 -12.564 16.005 22.712 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 -5.334 -25.626 -0.988 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 5.030 8.816 -1.389 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 14.742 21.590 -8.100 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 10.459 4.718 9.491 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 3.072 -1.401 -1.879 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 8.787 17.551 -7.187 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 22.674 0.321 12.409 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 -2.116 3.190 2.959 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 15.075 12.198 5.543 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 11.626 7.515 22.900 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 -10.285 0.184 -0.160 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 6.496 -1.192 4.675 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 -13.508 -5.143 -7.808 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 -0.424 -7.077 1.698 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 -10.076 -7.930 1.240 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 -14.555 0.072 15.308 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 1.945 2.699 -4.489 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 -0.946 2.445 1.059 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 11.982 8.613 -30.835 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 -1.043 8.394 6.268 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 -6.665 -1.324 3.390 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 2.161 11.777 1.926 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 1.047 7.830 2.143 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 14.208 23.194 6.876 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 -7.823 6.729 -14.913 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 2.830 2.481 4.638 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 4.687 9.321 3.133 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 3.052 -12.597 7.811 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 4.194 -0.158 -2.514 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 -8.446 -9.322 -6.208 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 13.721 -3.170 -8.115 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 -1.197 -0.775 -0.497 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 -13.455 -6.473 22.345 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 12.448 -2.338 -23.801 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 0.049 4.423 -1.451 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 0.503 -3.653 -9.495 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 11.950 -7.451 -8.908 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 -6.405 2.896 0.203 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 5.315 -4.105 -10.609 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 -0.987 12.912 -12.011 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 -6.449 9.640 -4.066 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 -2.234 11.547 3.941 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 -7.658 13.494 -8.649 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 2.268 -5.139 -0.669 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 1.834 -5.830 2.852 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 17.881 18.595 -4.182 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 3.066 2.943 -2.818 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 3.746 -3.480 10.853 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 -11.810 2.065 -4.396 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 -4.083 -6.081 1.383 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 -5.809 17.733 -5.912 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 7.599 -14.641 4.163 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 -3.765 2.898 3.593 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 21.770 1.047 6.424 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 -17.164 -8.927 27.964 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 -5.843 -3.314 4.199 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 -4.696 16.639 8.552 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 -12.255 32.148 2.943 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 3.130 4.398 1.716 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 6.890 -4.104 -9.934 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 26.691 -19.177 0.496 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 7.127 7.023 3.559 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 -12.583 -21.178 -14.557 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 -2.480 -7.660 0.301 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 -1.800 -0.399 0.808 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 -2.323 -4.699 -0.901 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 -0.250 4.464 -1.581 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 -5.113 -2.900 -7.503 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 -11.643 -14.151 -7.223 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 0.998 5.373 -13.398 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 6.169 2.076 0.560 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 9.231 5.374 6.294 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 -4.288 0.682 7.398 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 -0.586 -0.762 1.953 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 6.820 -20.517 5.563 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 8.153 -9.065 13.174 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 -1.418 -0.431 3.926 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 -8.996 4.245 3.169 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 10.465 -10.857 8.883 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 2.571 1.154 -4.707 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 14.623 4.134 12.436 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 6.274 -10.751 12.596 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 1.385 -5.182 0.010 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 0.052 4.067 -13.963 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 9.136 -15.539 -12.943 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 -2.953 4.468 3.001 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 6.946 10.309 10.627 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 -24.329 0.917 -33.921 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 0.094 -5.490 0.678 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 -2.778 -1.510 -4.275 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 0.901 -3.204 3.519 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 -2.635 0.866 1.084 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 -2.888 2.289 -7.922 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 4.523 -2.996 9.766 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 -0.547 2.920 2.703 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 18.432 -5.326 -9.789 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 15.717 11.310 12.047 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 4.408 -6.505 2.568 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 2.105 -7.335 9.385 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 2.200 -9.005 -0.036 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 -2.187 0.418 -3.668 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 10.123 0.922 1.093 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 -8.434 0.012 -7.378 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 4.130 -2.468 2.160 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 -0.263 2.192 0.715 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 2.480 -6.349 2.025 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 -4.561 0.242 -3.024 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 24.030 -9.693 7.101 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 19.838 -5.567 7.693 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 3.623 0.840 2.577 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 9.075 -2.750 30.377 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 7.096 2.335 22.038 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 -5.074 -5.101 -1.057 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 -6.567 -12.559 -8.140 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 -6.681 -5.150 -17.821 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -8.176 -1.709 -0.635 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 -6.796 -23.020 10.852 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 -4.952 5.834 -17.803 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 -2.013 7.847 4.114 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 -4.265 23.189 1.844 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 -8.294 40.159 -0.980 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 4.884 1.571 -7.008 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 -15.315 -0.715 -9.597 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 -16.417 7.297 6.256 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 3.762 -2.063 -1.438 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 2.648 4.982 4.858 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 3.052 -2.730 -5.164 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 -0.492 -3.665 0.232 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 2.049 1.463 7.974 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 -6.219 -2.916 1.292 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 5.249 0.618 -1.662 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 11.248 10.347 -10.267 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 -6.227 13.691 -4.111 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 5.709 -3.549 -1.633 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -4.796 -5.478 -6.037 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 6.803 -6.171 -6.596 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 5.711 1.823 4.647 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 13.795 -15.365 -15.249 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 8.472 4.987 -5.311 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 2.496 -2.944 -1.187 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 9.769 9.843 -2.246 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 -21.401 -5.119 10.121 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 -9.500 1.010 5.168 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 -23.677 -7.812 -13.443 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 -11.310 2.703 21.363 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 8.793 -0.339 -3.752 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 -2.546 -0.495 23.560 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 13.710 2.275 -14.575 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 1.444 -0.208 4.988 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 3.951 -5.380 5.138 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 21.509 15.850 -22.859 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 1.513 0.768 -6.329 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 23.799 1.597 -5.652 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 -8.540 -11.556 -9.887 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 -2.265 -7.279 1.021 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 -7.873 -6.756 29.667 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 -12.496 29.294 0.444 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 9.222 -6.358 8.052 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 9.394 -10.280 -6.703 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 8.658 -2.254 2.219 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 9.041 0.170 -4.591 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 3.645 8.978 16.882 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 33.277 -19.702 16.366 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 1.054 -5.001 1.660 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 14.911 14.476 1.912 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 -1.669 -10.897 -2.008 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 -3.396 -0.333 2.158 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 -15.443 14.617 3.131 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 4.253 -13.891 3.009 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 -1.390 3.898 -2.960 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 -3.157 9.174 9.950 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 -1.695 -1.634 -16.954 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 -5.193 2.230 1.757 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 13.786 -7.431 2.308 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 -14.025 7.131 19.538 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 -3.110 3.956 -0.460 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 -4.046 -9.600 3.998 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 11.496 40.060 20.149 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 -2.274 -4.411 -0.298 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 -20.958 -3.757 6.281 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 6.774 7.790 9.101 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 -1.094 1.731 -1.787 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 14.022 -0.663 -5.924 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 -8.743 13.740 -8.068 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 -0.792 -0.126 3.729 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 -9.015 -2.382 -4.712 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 -3.894 -10.036 8.796 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 -4.151 -0.427 -6.678 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 15.212 -8.166 -10.702 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 -13.791 -15.777 -18.831 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 -1.723 2.221 -7.502 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 -13.900 -16.271 -4.443 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 -7.108 9.977 20.207 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 -3.059 3.787 3.855 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 -15.534 11.481 13.097 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 -1.214 1.793 3.844 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 0.998 0.025 -0.174 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 14.164 8.760 5.700 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 -7.818 19.182 26.324 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 -0.963 -0.858 -7.332 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 2.255 15.315 0.987 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 3.111 -8.087 -26.329 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 4.445 -0.030 -2.353 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 -4.127 -7.381 -4.566 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 -3.553 -6.914 -3.781 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 2.232 7.304 -4.381 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 21.228 28.824 9.960 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 5.410 -6.974 -6.548 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 -10.256 -8.449 1.166 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 2.124 6.456 -1.420 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 3.102 -10.654 -4.700 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 -3.013 5.887 -1.205 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 -2.484 11.103 -14.308 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 -7.192 3.737 11.375 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 5.742 9.064 -5.235 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 -2.143 28.719 3.388 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 8.375 6.684 -6.319 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 -1.425 -5.249 3.946 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 17.429 -1.967 2.035 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 -7.709 -11.184 -0.207 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 4.212 1.874 -0.894 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 15.464 9.935 -23.167 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 -23.188 8.144 1.653 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 -3.392 1.307 -1.479 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 5.141 11.550 -9.161 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 -10.124 -1.166 -4.683 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 0.345 -0.578 -3.126 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 -0.308 7.520 -9.558 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 6.626 2.148 -0.482 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 2.061 -4.420 1.029 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 -0.112 -4.824 -18.082 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 4.919 -4.463 -7.695 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 5.183 -1.983 -0.552 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 14.322 -18.532 -21.607 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 -8.247 -10.652 -6.910 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 -4.624 1.299 -4.901 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 5.136 -7.904 -15.032 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 5.513 -5.075 13.361 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 1.483 -6.819 -4.345 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 -6.289 7.171 -19.687 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 8.777 -4.133 -4.255 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 0.780 1.042 -4.591 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 -4.730 -18.797 29.336 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 -0.911 -14.514 10.576 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 -6.134 7.938 0.692 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 -13.628 15.042 15.835 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 12.700 12.172 3.832 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 -1.249 -4.732 -2.118 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 5.234 -6.977 -0.408 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 -4.743 4.711 -4.900 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 2.451 4.993 -4.399 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 7.255 0.342 2.190 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -17.827 -13.797 5.421 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 1.088 1.443 1.334 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 11.851 -13.088 -5.514 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 0.412 -24.430 7.013 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 -1.552 -6.519 -1.277 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 2.687 -2.344 5.993 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 6.506 4.738 -3.154 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 -0.736 1.880 4.846 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 -28.823 19.539 -3.624 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 12.002 -10.135 9.219 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 -2.971 4.954 -2.621 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 -5.502 0.870 1.200 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 6.019 -1.684 -9.246 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 0.640 2.280 3.740 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 7.490 15.925 21.191 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 13.459 -2.098 1.292 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 0.791 1.651 -4.670 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 -5.572 -11.242 -8.672 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 12.896 -2.169 0.312 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 2.711 -0.881 3.146 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 4.040 -7.512 15.525 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 2.263 5.355 -16.638 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 -4.146 4.395 -7.379 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 -1.547 8.527 -26.450 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 1.945 -16.325 5.584 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 -1.104 1.968 -2.346 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 -2.769 5.448 -10.260 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 -0.140 1.690 -0.303 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 -3.127 7.186 6.278 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 1.587 19.420 17.627 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 -8.872 0.795 -20.056 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 -0.932 -3.876 2.984 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 9.107 11.615 -5.284 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 15.514 17.980 -6.484 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 -3.937 -3.012 -4.676 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 -6.720 -5.589 -2.854 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 -13.925 -10.703 2.662 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 -4.210 3.077 -0.897 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 20.856 -1.809 -5.074 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 -14.183 1.226 -11.353 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 3.161 2.054 -3.729 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 2.017 6.753 -6.215 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 -30.948 -15.427 -8.293 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 -2.379 1.416 5.498 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 -22.032 -17.353 19.961 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 4.555 16.145 1.739 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 6.383 -1.436 8.355 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 10.887 -2.064 7.278 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 14.540 2.158 2.916 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 -4.454 3.451 7.430 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 3.594 -10.767 4.895 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 11.510 -16.343 -20.679 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 3.559 1.361 4.973 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 12.665 24.983 -1.927 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 10.048 -5.828 24.552 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 4.611 0.635 0.613 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 4.536 -0.726 -0.893 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 5.112 -1.340 -1.115 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 -5.771 4.527 -6.394 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 -17.313 33.831 -3.694 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 15.836 4.813 -6.445 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 3.623 -4.849 -3.324 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 -10.587 -32.289 -6.234 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 19.607 20.451 -2.589 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 0.913 5.720 2.590 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 18.679 7.842 -1.914 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 -0.695 -12.472 4.546 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 0.184 -0.883 -8.363 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 3.866 -5.013 -13.868 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 -6.151 8.060 0.607 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 3.733 0.935 2.757 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 -13.597 -6.075 8.088 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 1.391 0.630 17.989 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 -1.793 -5.054 -0.550 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 15.573 -6.828 -13.964 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 -5.921 -1.115 -4.352 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 0.689 2.191 6.386 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 16.828 2.353 2.643 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 -0.745 12.424 19.401 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 1.606 1.379 -0.589 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 -5.078 13.670 0.992 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 2.501 -7.179 14.854 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 1.954 2.398 -7.504 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 -10.123 1.016 -15.631 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 4.812 17.968 -39.361 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 2.508 3.809 5.813 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 4.967 5.357 17.907 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 -29.359 10.491 -11.782 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 -4.525 5.313 3.472 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 -15.424 5.568 14.713 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 -4.868 13.236 18.303 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 -8.133 4.727 -8.958 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 -15.900 -0.909 12.957 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 17.862 -0.549 -5.909 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 7.191 -0.791 -1.030 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 -2.554 4.423 -13.643 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 3.503 -22.741 1.793 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 -1.299 -6.370 -5.128 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 8.539 -23.423 0.668 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 -0.456 -12.415 -4.045 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 0.168 -0.129 2.785 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 22.267 -5.494 -10.122 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 4.191 -4.521 -6.150 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 4.311 -2.795 0.974 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 13.722 19.037 -14.919 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 9.572 9.421 -8.073 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 -1.768 -7.561 0.991 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 10.155 -38.263 -13.587 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 6.436 -3.525 -2.437 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 -0.117 5.141 1.216 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 -3.409 3.715 -7.689 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 -5.454 2.630 2.793 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 -0.007 -3.770 -8.701 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 -4.483 27.628 -7.573 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 8.014 -13.048 0.474 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 -4.338 -1.787 -4.116 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 -13.239 -12.871 -4.750 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 -4.177 0.354 0.334 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 -4.257 3.847 1.383 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 -13.178 0.264 -1.113 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 -19.072 -2.951 13.969 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 2.769 3.458 -2.297 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 6.188 -13.400 -0.065 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 8.009 1.567 -2.988 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 -1.771 6.020 -1.341 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 -9.661 16.199 8.478 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 17.452 13.844 31.997 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 -0.793 -4.398 4.340 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 6.156 -1.873 -12.871 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 5.069 -11.064 -2.045 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 -5.666 0.427 -2.104 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 -27.205 13.380 -8.485 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 16.365 -14.016 7.072 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 0.161 -5.573 0.657 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 -26.860 -1.505 -2.994 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 7.736 -45.651 -9.262 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 -5.667 -4.311 -3.494 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 15.779 7.046 -21.889 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 2.664 -21.156 1.126 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 7.595 -1.259 0.121 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 21.425 42.632 -14.396 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 12.009 -12.541 5.313 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 2.209 -7.113 5.529 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 5.245 -15.678 -0.318 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 -14.341 -15.844 0.121 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 5.191 -4.469 5.591 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 4.893 -7.946 10.168 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 6.367 1.631 -18.734 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 -7.414 -0.868 -0.157 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 -2.185 -12.587 20.762 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 -19.699 -6.241 -12.556 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 7.346 -0.451 0.352 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 20.960 2.322 -9.946 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 4.520 5.300 9.087 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 -2.461 0.609 0.971 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 -4.843 10.460 -11.915 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 -21.467 6.127 -2.581 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 -0.891 1.700 4.780 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 7.148 -8.409 7.488 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 -1.457 -3.590 -0.901 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 -1.605 1.776 4.672 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 -3.808 -20.636 3.513 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 -10.936 -6.793 -17.024 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 -2.285 -1.956 5.141 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 -9.408 1.045 4.909 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 -4.383 10.970 0.687 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 -0.044 4.243 3.236 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 1.093 3.893 -1.049 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 14.464 -3.370 7.209 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 -1.900 3.515 -2.747 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 -10.020 -1.357 6.591 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 19.899 -1.652 -15.859 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -0.096 -4.291 6.516 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 10.919 -8.870 -27.202 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 0.021 -2.846 23.607 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 -0.694 -5.642 -4.616 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 8.779 5.604 -6.128 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 -7.539 -0.767 -16.963 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 2.392 -2.321 -2.182 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 15.208 -3.355 11.095 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 3.318 -6.800 -7.691 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 3.044 7.646 -4.625 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 -13.124 7.430 -10.371 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 0.849 12.210 4.148 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 -1.577 -0.822 -1.561 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 -10.461 -7.825 18.355 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 0.031 10.887 -18.693 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 -0.279 3.524 -1.686 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 -3.424 17.650 -11.190 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 2.061 -5.573 3.653 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 1.482 -5.664 -3.984 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 -4.471 -0.562 -11.372 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 -6.006 -11.422 -9.483 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 6.610 0.153 -4.705 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 -18.466 -1.656 -17.575 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 -6.807 4.950 -19.266 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 1.244 3.115 -3.571 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 15.500 -8.827 3.644 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 -7.142 16.114 -0.944 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 -5.638 7.004 5.480 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 -8.733 2.346 23.986 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 -4.155 14.791 -3.007 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 -3.418 -2.841 -2.969 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 -0.368 24.381 7.743 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 -4.597 -5.717 -4.324 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 -3.822 -3.436 -1.939 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 4.731 -17.608 -8.020 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 0.306 -12.674 -5.708 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 0.734 0.472 2.033 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 -12.556 -6.908 -6.212 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 -24.869 -7.006 -1.922 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 5.832 5.295 1.481 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 11.649 0.281 -14.844 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 -5.676 -6.041 5.833 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 2.829 -0.042 7.896 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 -1.622 -8.306 -3.847 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 19.667 -5.067 3.928 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 -1.919 0.739 -6.270 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 15.670 -1.472 -9.905 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 -5.421 -12.841 -5.905 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 3.425 -1.447 4.322 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 8.248 -1.070 10.915 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 1.848 -6.929 2.689 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 0.688 1.316 -1.345 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 6.460 -2.785 -5.215 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 2.505 0.564 -0.838 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 -1.779 -3.208 -2.312 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 -13.752 10.779 3.010 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 13.906 -1.971 10.558 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 -3.627 4.752 1.041 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 -13.458 15.867 5.762 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 -7.027 10.448 0.160 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 -5.089 -8.519 1.389 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 -35.112 18.585 -28.686 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 -13.451 -11.217 0.397 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 2.995 -2.932 0.063 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 -1.590 21.643 5.434 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 33.590 -18.245 -0.559 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 2.917 -4.780 -3.634 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 -3.169 2.325 5.459 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 -32.356 -11.691 7.749 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 -3.517 -2.664 0.926 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 28.845 -1.924 29.478 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 13.351 8.422 4.753 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 1.424 2.038 -1.394 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 13.630 4.642 3.960 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 -20.003 2.353 -3.085 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 9.148 0.172 -1.512 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 6.007 1.754 12.241 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 11.929 -1.744 -17.541 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 -2.089 -2.846 -1.911 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 2.272 -14.561 -4.428 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 23.326 27.538 12.500 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 -0.703 -2.744 2.590 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 -9.296 18.206 -14.599 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 -1.795 3.650 11.266 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 2.106 4.502 2.849 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 -6.347 6.276 1.818 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 5.191 11.958 0.339 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 4.353 4.413 6.453 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 2.790 4.906 11.914 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 -0.202 3.010 8.704 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 -1.255 7.165 -4.765 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 -8.793 -4.267 4.394 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 -9.036 -29.970 -9.045 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 6.095 2.228 1.637 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 5.511 3.544 1.909 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 19.436 4.338 7.280 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 3.862 4.664 -3.666 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 -3.710 1.319 -0.310 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 3.694 -8.113 -10.448 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 0.545 0.480 0.451 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 4.963 -11.891 -16.431 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 -2.573 13.659 13.534 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 -5.681 -1.526 2.997 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 -1.853 -1.942 1.150 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 -9.440 -7.073 1.206 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 3.380 0.822 -4.537 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 0.898 3.098 7.179 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 4.410 7.361 9.469 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 -0.933 -3.624 0.606 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 13.442 -12.242 -1.335 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 12.784 28.556 -7.193 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 -1.863 -2.036 2.180 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 -9.533 -6.888 13.093 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 10.900 -17.231 -8.756 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 2.366 -5.304 3.544 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 -8.911 -4.177 16.450 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 8.035 -13.186 10.740 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 6.365 -0.013 -1.754 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 5.399 -1.340 0.759 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 4.176 1.972 -1.968 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 2.442 4.976 2.262 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 -0.629 -30.837 20.599 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 1.264 -0.938 -11.367 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 -3.006 0.469 3.097 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 11.876 -6.216 4.612 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 20.529 4.777 29.085 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 -4.035 0.277 1.125 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 -3.581 7.776 -10.173 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 0.052 5.464 -20.324 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 -0.942 -0.872 -4.657 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 -8.016 3.480 8.859 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 3.740 4.735 -9.377 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 -0.423 1.341 -3.796 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 -0.434 -12.194 16.958 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 8.656 -10.570 -23.353 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 2.651 -1.294 0.438 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 4.739 6.613 4.652 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 5.648 12.544 -9.962 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 5.145 -0.355 -7.154 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 6.277 -8.050 -15.809 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 2.339 12.312 15.834 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 5.068 -6.431 -2.393 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 -0.372 -7.124 -17.310 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 -5.481 -14.137 -15.024 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 -2.762 4.770 -5.818 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 6.492 8.293 -8.143 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 -7.924 1.350 -4.375 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 4.565 3.772 1.474 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 15.987 10.467 12.614 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 -1.287 -16.088 -4.195 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 0.396 -7.272 -1.509 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 -13.406 4.711 -17.424 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 -5.849 -22.302 7.744 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 -1.106 2.264 -2.998 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 3.871 -2.810 -3.911 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 -12.392 -5.592 4.277 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 7.404 8.352 -1.960 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 -3.917 -16.089 0.380 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 19.042 24.863 -6.583 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 1.426 2.675 -0.748 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 -1.374 6.005 -12.388 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 0.667 10.030 -3.500 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 -6.258 2.733 -1.333 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 -0.797 6.262 -1.672 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 -9.939 7.158 2.191 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 5.411 -0.904 0.100 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 21.316 3.224 15.191 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 -19.544 12.763 -22.084 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 1.645 3.208 4.378 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 -0.932 16.077 -4.548 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 9.951 12.519 19.268 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 -1.611 -0.853 -0.550 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 -5.212 -3.291 -1.574 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 -5.180 -0.915 -12.765 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 2.145 -3.789 -1.594 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 7.858 -13.907 -3.750 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 5.732 -20.582 -1.881 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 -2.409 1.765 3.956 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 -1.762 0.802 -0.591 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 -2.770 2.883 7.279 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 2.807 -6.318 3.712 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 -1.213 -3.793 6.704 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 0.023 -6.460 6.387 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 4.338 0.153 -1.458 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 -1.618 7.297 -6.919 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 -13.266 -15.301 -15.324 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 8.606 -4.138 -0.199 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 31.310 9.144 2.565 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 -37.084 -21.671 -3.528 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 0.551 -3.189 0.033 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 -7.112 -7.977 -11.630 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 -7.818 -15.316 3.781 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 -4.006 -2.837 -6.826 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 -17.815 -17.435 -20.869 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 -6.550 -8.629 -7.810 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 -3.333 -3.014 -4.915 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 -0.168 11.439 17.752 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 16.906 -9.975 -11.776 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 -0.544 -3.754 1.043 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 -13.321 -2.278 11.997 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 2.158 -19.297 -13.685 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 -1.652 -0.927 2.994 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 9.631 11.636 -1.444 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 -1.096 -0.125 -1.225 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 3.798 3.339 -0.207 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 13.757 18.241 -10.393 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 -26.274 10.542 -33.041 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 3.281 4.946 1.417 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 5.767 -6.347 4.565 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 -7.099 2.388 -3.210 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 -3.402 4.433 -3.043 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 6.484 -3.099 6.323 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 2.421 21.706 8.534 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 -0.064 -0.068 -1.566 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 -5.315 -9.553 -9.522 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 -3.193 -4.990 -26.435 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 -1.529 -6.175 -1.430 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 24.036 -6.815 0.818 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 -27.850 -14.044 5.871 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 10.456 3.359 -1.013 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 8.798 15.212 6.841 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 -7.435 3.465 -11.692 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 9.447 -1.717 -2.977 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 32.073 -16.083 -7.066 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 5.666 -4.797 13.308 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 1.914 0.020 -2.931 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 -14.248 5.312 0.459 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 4.093 -13.249 7.002 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 -5.184 1.555 6.012 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 11.014 1.117 -0.191 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 -9.405 -11.660 8.504 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 2.620 -1.420 -1.799 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 -14.242 -8.328 10.563 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 -5.150 5.414 2.229 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 1.417 2.633 -0.044 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 -8.968 -3.744 12.112 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 2.084 -1.511 4.459 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 11.504 4.223 -1.884 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 28.090 4.739 -15.274 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 22.273 7.615 -1.719 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 -1.441 -1.915 2.599 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 8.222 22.918 15.825 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 23.306 29.113 -18.102 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 7.580 0.591 -1.817 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 -14.546 5.778 13.321 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 -1.423 10.134 6.216 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 -1.662 -0.100 -2.469 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 7.637 -4.508 7.877 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 -8.506 18.819 -10.226 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 2.527 0.608 -0.006 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 2.423 13.601 -3.609 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 0.812 6.143 -2.393 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 -1.286 1.781 -3.352 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 19.149 8.844 -3.461 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 4.031 6.243 2.846 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 -1.844 1.286 -4.286 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 10.616 10.182 -23.371 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 -9.242 -9.779 -4.835 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 3.348 -3.771 4.099 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 -5.520 14.292 12.348 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 -6.555 -7.529 -16.429 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 5.484 -1.600 -0.628 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 -6.049 -3.246 -6.494 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 -8.251 -2.020 16.366 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 -3.468 1.662 6.093 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 -15.277 5.822 -4.272 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 8.584 12.324 1.671 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 -7.979 -3.080 -3.003 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -15.407 10.561 -11.145 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 -7.729 -10.029 -14.017 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 -5.389 -0.023 3.832 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 -5.129 -0.117 3.853 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 -8.098 -8.454 3.023 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 0.022 -1.418 -3.571 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 -15.359 10.450 5.342 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 -39.086 10.188 -2.032 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 -3.753 -2.081 -7.884 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 -2.424 -23.871 -4.197 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 -9.533 2.433 -13.336 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 -0.207 -1.851 1.756 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 -5.452 -7.044 17.460 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 7.257 -18.019 11.687 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 10.611 -3.790 -3.237 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 -4.778 12.090 -25.061 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 -5.730 -5.052 -18.058 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 -1.082 7.234 3.910 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 -4.498 17.361 -9.182 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 3.467 20.577 -16.746 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 -0.791 2.757 4.348 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 2.212 7.883 5.444 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 -3.307 -31.213 -16.752 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 3.236 0.267 4.286 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 -2.996 -28.216 -3.266 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 -6.219 15.068 -17.177 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 -14.119 0.264 2.959 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 -13.366 5.867 7.640 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 -14.549 -15.377 -9.976 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 -0.471 0.207 -7.398 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 13.874 6.358 11.187 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -16.058 -15.026 -23.881 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 -4.686 -3.539 5.624 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 -2.316 5.442 -5.311 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 -3.667 -2.378 4.242 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 -1.155 -1.338 3.745 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 0.682 -8.836 -14.893 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 -19.967 23.047 7.081 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 0.017 6.891 1.228 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 -4.833 21.839 -6.738 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 -9.870 -3.566 -10.727 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 -5.192 -5.210 -4.582 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 34.049 -18.093 -11.519 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 -3.663 5.632 6.469 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 -5.732 -2.800 -4.753 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 -13.952 -21.257 7.812 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 3.843 1.838 6.435 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 1.820 8.542 -1.840 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 5.062 2.146 -3.116 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 1.270 -25.545 -0.915 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 0.513 0.724 -5.552 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 32.384 -2.400 -6.477 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 -12.428 32.431 -5.692 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 0.086 2.456 -3.819 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 -0.564 5.987 10.318 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 -10.924 13.818 -8.166 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 1.981 0.936 0.456 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 6.174 11.678 4.850 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 -2.328 -13.564 -3.053 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 -1.183 -5.638 1.939 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 -4.089 -20.990 -0.206 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 2.519 -6.547 1.984 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 2.507 -5.800 -3.741 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 -2.836 14.414 2.631 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 5.206 -17.399 -8.413 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 1.604 -2.729 -3.913 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 -16.533 5.150 -0.606 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 6.261 15.235 18.870 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 7.340 7.229 -0.395 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 13.805 4.646 15.232 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 3.412 10.882 -8.687 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 2.383 -4.978 4.363 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 -32.635 -5.707 33.189 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 -3.645 -6.114 11.102 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 -3.453 -1.099 0.512 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 -7.776 -6.060 4.464 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 -19.370 12.888 24.264 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 -1.813 -3.227 -4.778 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 -7.727 3.480 -11.783 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 -3.802 4.519 1.135 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 -0.790 -2.554 6.137 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 -10.067 8.733 -1.275 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 -19.954 -32.574 34.533 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 -4.417 2.788 1.572 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 -3.667 9.601 4.823 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 -7.710 -1.518 4.881 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 5.204 -4.357 -1.715 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 6.954 17.705 2.193 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 -0.070 0.291 8.534 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 -2.429 -2.920 2.543 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 -1.727 -8.417 -1.607 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 2.547 -4.737 7.178 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 0.313 -2.058 -5.354 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 9.432 -10.629 -6.561 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 2.290 -2.607 -16.714 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 -4.328 1.289 1.640 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 2.551 -1.788 7.323 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 3.688 -3.338 7.123 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 0.058 -3.966 1.881 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 -1.112 -2.753 0.066 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 8.111 5.267 -4.763 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 -2.545 3.846 0.347 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 -2.802 -15.777 -12.149 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 8.486 -7.513 -3.433 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 -4.681 3.807 3.205 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 -1.974 -8.599 -2.145 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 -15.503 17.939 12.542 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 1.919 -2.311 -2.062 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 3.965 -24.929 14.754 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 9.402 -8.442 26.318 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 1.633 0.084 2.045 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 5.528 -21.504 -21.465 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 -13.293 -2.107 -4.184 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 0.479 0.041 6.982 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 5.464 -8.143 -6.245 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 0.836 12.696 30.383 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 2.415 -2.834 0.651 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 16.868 -5.942 -0.798 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 4.730 -11.021 1.371 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 -0.682 4.604 0.003 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 0.002 -6.442 10.799 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 -11.045 7.817 -5.952 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 -3.059 3.504 -0.075 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 4.450 5.686 -0.149 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 -15.708 9.658 6.752 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 -4.056 2.925 7.404 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 -6.223 6.189 13.018 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 -6.572 2.681 -3.469 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 1.951 -2.500 -0.225 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 -5.379 -12.058 -0.190 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 5.053 7.987 -1.716 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 -0.401 -6.618 -2.907 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 -1.498 -0.517 -6.489 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 -2.908 16.440 -16.644 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 -1.792 0.718 -6.876 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 4.732 -0.549 2.415 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 4.423 1.009 20.521 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 -6.476 0.328 -3.831 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 -8.106 -0.723 -3.262 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 -4.975 -21.487 -17.237 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 2.288 0.583 5.421 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 18.588 4.928 0.656 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 -12.415 -8.014 9.293 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 1.355 6.675 -2.027 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 -3.483 -2.228 0.163 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 -8.686 6.746 -5.623 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 -2.094 2.848 6.720 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 -10.927 9.076 6.135 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 8.066 -1.420 5.105 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 -0.142 0.641 -0.767 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 -0.073 2.770 -1.795 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 -1.661 -5.422 6.949 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 -0.953 0.661 0.548 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 -0.297 -19.145 -5.069 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 -27.438 9.118 -13.883 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 1.585 -2.758 0.702 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 25.921 -0.020 -7.576 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 10.788 -10.929 -21.256 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 -0.360 -4.332 -1.795 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 7.213 4.748 11.620 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 -10.694 -2.961 -11.969 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 3.227 -2.102 7.720 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 -2.464 1.498 2.285 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 2.801 -10.277 7.423 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 -8.624 -1.694 4.597 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 1.122 1.746 4.323 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 2.894 3.485 4.786 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 4.605 0.560 -1.612 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 3.722 22.215 -9.276 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 -12.634 -7.165 1.206 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 4.849 -7.451 -1.520 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 -5.526 -9.573 -0.943 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 11.544 16.181 7.663 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 -3.029 -4.825 -3.323 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 -0.421 -11.067 -8.345 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 10.990 -12.649 5.663 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 4.808 3.006 9.898 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 11.625 6.995 -18.407 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -4.739 -8.150 3.939 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 -0.721 -0.319 -0.361 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 -0.080 1.684 -2.589 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 5.348 36.230 0.861 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 -3.461 4.420 3.343 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 21.162 -17.221 -23.904 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 -3.186 1.406 -5.800 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 2.269 -1.528 0.379 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 -5.916 -2.165 4.612 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 -0.890 -14.172 -3.535 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 -4.171 5.583 -0.587 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 -11.397 -3.426 3.323 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 -22.419 18.393 -7.641 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 -5.816 2.043 -6.162 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 3.584 -7.233 -22.640 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 -6.034 9.641 6.431 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 -1.457 -1.059 1.145 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 -13.071 4.050 -18.624 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 -10.078 1.137 -15.670 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 -0.845 2.593 -2.821 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 -7.841 -8.652 6.144 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 3.782 3.709 1.997 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 2.506 -4.057 -0.499 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 1.192 -3.027 2.473 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 -3.251 0.146 11.929 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 -3.486 3.215 -5.286 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 -3.737 -2.641 18.798 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 -11.686 -6.563 6.451 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 -2.592 2.537 -3.014 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 2.908 -0.832 -17.543 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 -3.461 -12.889 3.586 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 -0.480 -2.598 0.190 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 -10.043 16.504 -17.561 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 -10.680 2.350 13.276 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 -3.304 3.151 0.049 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 2.991 -12.926 -4.557 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 -3.408 9.268 2.514 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 -0.998 -3.028 -2.319 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 -18.472 2.131 2.603 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 -10.501 12.733 -0.691 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 -0.685 0.351 1.981 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 -7.960 -9.437 30.091 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 4.984 -2.080 -15.327 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 -5.251 1.824 -5.900 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 -8.402 -3.226 14.528 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 -0.592 12.458 8.934 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 -1.096 -1.803 2.863 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 11.045 -6.766 8.067 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 -7.116 17.808 8.667 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 11.811 5.418 3.014 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 -1.247 -11.553 4.143 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 14.061 22.666 8.016 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 -6.962 -2.170 -0.789 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 -16.563 -9.985 -16.155 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 -16.172 11.361 9.400 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 2.303 3.908 -1.863 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 2.560 10.972 -12.905 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 -16.473 -14.930 -8.681 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 -2.832 3.319 -6.426 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 10.402 3.872 12.774 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 3.029 0.519 -19.935 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 10.487 4.348 -9.247 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 18.179 16.824 -7.131 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 20.781 2.602 -11.981 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 0.628 -7.151 4.217 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 -2.829 -9.893 9.493 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 5.202 -3.647 7.064 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 -0.853 1.176 0.046 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 21.700 11.054 1.932 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 -16.980 -3.533 6.452 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 -0.216 4.326 -1.358 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 11.310 5.109 -31.794 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 -11.824 -7.233 5.015 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 -4.135 -5.581 0.094 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 -11.053 11.359 22.283 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 -8.574 0.802 10.650 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 2.415 7.281 1.846 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 0.435 -3.899 -0.577 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 4.887 12.159 -3.931 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 2.108 -4.932 -1.233 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 15.992 0.531 13.997 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 16.721 3.879 19.155 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 1.735 4.654 -0.623 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 16.473 -23.497 -31.531 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 -0.693 6.295 2.881 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 3.566 3.372 -0.034 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 17.887 -3.526 4.224 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 -4.978 1.123 2.918 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 2.448 1.635 2.593 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 -1.413 5.403 -1.448 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 -0.447 -2.793 7.071 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 -5.314 -1.063 4.345 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 -2.521 0.935 8.056 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 -2.627 3.640 9.502 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 0.344 0.966 0.917 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 12.668 -6.892 -12.536 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 5.610 -0.069 2.268 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 2.994 6.662 -0.936 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 12.936 11.931 -2.264 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 -7.812 8.357 -6.744 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 -2.318 -0.073 5.112 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 7.085 -10.700 7.936 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 6.413 4.032 1.472 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 1.398 2.028 1.302 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 -19.717 -10.170 -9.812 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 29.445 8.825 -0.137 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 2.356 -3.619 -2.542 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 -16.454 15.857 16.238 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 5.191 -1.448 -0.251 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 2.059 -8.566 4.342 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 8.492 -5.380 5.487 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 -2.970 -3.078 -0.222 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 -4.230 -2.045 1.754 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 -6.763 7.389 -3.277 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 -7.604 15.277 -14.130 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 -4.285 5.173 1.731 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 11.285 -5.154 -7.584 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 22.825 7.891 4.666 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 -3.810 5.292 3.893 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 -8.984 6.050 16.153 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 -3.266 3.141 -0.659 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 4.235 -2.935 3.286 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 -3.759 -27.684 -1.808 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 15.134 -10.592 9.528 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 -4.415 2.095 1.958 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 -4.646 -7.861 7.793 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 -8.708 8.764 -16.287 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 -2.773 -2.394 -9.945 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 28.075 -4.482 -11.731 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 4.654 25.120 -22.140 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 1.431 1.478 -1.986 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 5.116 10.016 1.213 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 3.807 -31.789 4.812 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 -4.699 -3.543 3.157 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 -1.262 -1.656 21.171 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 -1.750 -29.535 -2.290 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 4.826 3.951 3.395 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 -7.788 -1.507 13.159 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 9.959 2.371 5.921 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 0.079 3.738 -3.898 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 -3.796 14.956 1.889 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 -4.535 4.385 -16.286 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 1.035 11.367 0.349 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 -6.968 11.368 -2.184 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 2.103 17.777 4.575 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 1.439 -3.389 -1.743 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 -5.166 1.542 -6.600 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 6.386 -11.336 -9.419 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 3.298 6.707 -3.101 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 9.093 10.015 -3.141 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 -6.005 13.513 -1.779 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 -4.046 2.202 -1.456 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 -23.791 2.622 16.527 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 -13.852 8.235 32.601 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 2.500 -1.908 9.305 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 24.810 12.729 -2.504 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 -10.202 15.624 26.101 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 5.695 -0.722 -0.333 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 -2.483 9.189 -8.390 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 6.470 -29.895 8.869 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 -0.646 9.527 5.231 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 3.519 9.065 13.368 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 -2.906 9.888 0.833 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 -0.061 -1.834 3.676 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 15.377 -12.173 11.687 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 -6.134 -8.881 -1.916 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 3.948 -4.004 3.631 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 10.942 32.751 14.627 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 10.249 -11.664 26.576 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 -0.329 -5.173 6.897 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 12.827 13.979 -15.607 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 -19.413 -7.345 -2.342 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 -4.383 0.232 0.160 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 -0.937 -4.036 -1.959 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 -3.683 3.364 -9.515 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 0.084 3.141 -6.739 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 -23.161 -0.673 4.206 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 3.012 -0.164 -30.754 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 2.723 -0.972 -2.234 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 -25.958 2.406 14.748 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 -16.988 -5.017 15.651 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 2.594 -5.562 -6.154 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 19.648 14.029 -9.116 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 -3.025 -22.642 23.213 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 3.798 -8.816 -5.818 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 11.703 -3.521 -11.472 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 5.065 -11.894 -9.491 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 -4.652 -0.284 4.385 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 -2.021 16.851 -2.970 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 4.702 2.466 2.112 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 -1.551 -6.506 -2.252 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 -10.430 -1.045 -7.321 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 -2.714 3.501 -8.872 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 -4.169 2.455 4.040 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 13.003 -15.499 -8.654 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -16.844 7.524 -9.135 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 6.046 0.149 -0.651 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 15.581 7.269 -9.333 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 -4.063 -7.572 7.810 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 -3.102 -0.486 -4.419 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 30.020 -9.372 -5.290 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 -10.213 24.892 8.796 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 0.180 4.319 2.246 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 -2.480 6.094 13.038 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 0.197 -0.245 -12.733 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 5.261 8.366 -4.753 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 6.023 6.897 -11.747 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 14.676 -16.937 11.428 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 -5.659 1.742 1.300 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 2.980 6.484 25.253 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 -8.282 -12.766 -5.702 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 4.322 -0.675 -1.748 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 -32.690 14.640 22.787 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 35.796 33.170 4.923 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 3.255 -2.704 -1.798 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -4.340 -19.949 15.279 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 -8.745 14.557 -3.696 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 -0.514 1.527 -2.172 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 -9.695 -5.682 -8.390 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 -5.921 1.661 13.102 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 0.621 -1.045 5.108 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 -30.682 9.677 -19.610 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 -1.565 -25.517 -13.337 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 11.396 -5.815 6.682 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 -9.195 -2.520 9.834 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 7.534 9.948 17.693 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 5.611 3.862 -2.037 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 2.423 -9.807 12.726 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 -3.116 20.919 5.213 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 -2.473 3.940 2.739 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 0.021 9.556 -7.755 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 -3.378 7.175 1.601 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 8.489 -1.723 1.816 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 -12.701 -16.337 20.067 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 22.630 -1.081 13.920 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 -1.958 1.969 2.490 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 4.691 12.042 -10.816 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 10.728 -10.813 4.882 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 -4.147 1.708 -0.657 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 15.054 2.090 -4.078 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 -27.178 9.011 -14.341 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 1.669 0.560 -0.622 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 1.244 -16.913 -24.738 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 -4.114 -10.670 8.714 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 3.051 -2.724 -2.608 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 10.744 1.970 2.009 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 8.885 -4.616 -5.041 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 0.924 -6.033 -2.396 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 0.506 -5.289 -4.160 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 6.695 -13.435 14.181 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 -0.475 -3.342 3.446 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 -0.122 1.028 4.372 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 -8.341 -15.197 -11.429 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 -0.391 3.568 -8.509 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 -6.907 16.581 -4.146 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 -6.306 13.989 -6.541 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 9.584 4.690 -3.929 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 11.806 -16.381 -7.226 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 24.792 -1.611 -8.050 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 4.683 0.961 -0.546 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 4.282 1.333 0.310 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 2.333 0.356 7.749 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 -0.355 -0.540 6.770 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 0.233 7.457 -9.837 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 6.812 5.864 -4.307 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 0.293 5.686 -1.376 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 -0.594 3.260 3.524 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 11.659 9.653 5.016 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 -0.287 -8.741 -2.133 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 10.701 -0.282 -25.098 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 -7.683 -13.578 -1.007 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 -6.319 2.271 -7.475 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 -4.081 11.518 -3.796 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 -3.703 4.218 -3.840 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 1.116 2.749 3.406 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 12.494 5.592 14.953 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 -4.261 13.835 -2.429 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 -2.831 -0.577 1.442 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 0.031 -3.371 -0.052 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 0.218 -11.166 9.303 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -6.011 3.846 0.887 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 5.899 4.277 6.710 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 -9.347 -9.249 1.738 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 6.665 -4.255 4.108 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 2.249 2.494 -0.657 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 4.420 -28.308 7.432 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 0.160 0.440 -1.186 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 0.592 3.314 -4.800 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 2.661 -1.080 -2.535 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 0.588 -2.343 -5.625 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 3.972 -7.643 -4.820 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 -10.784 10.602 2.106 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 6.246 -5.904 -0.980 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -13.898 -13.290 -17.428 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 17.637 -12.457 -19.304 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 -2.274 -3.775 2.555 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 11.377 -0.154 -0.443 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 -5.991 16.890 8.012 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 2.837 -2.212 0.313 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 5.338 4.471 -6.961 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 6.482 -1.972 -5.804 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 9.418 3.733 3.364 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 12.664 9.121 -11.857 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 2.798 29.424 11.344 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 0.888 1.955 3.052 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 3.164 3.515 1.778 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 -0.920 5.009 4.061 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 5.460 -2.545 0.284 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 8.490 -4.256 -31.311 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 17.220 29.660 8.510 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 -1.017 -3.095 -9.161 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 -7.267 -8.234 5.845 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 -2.445 2.207 11.219 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 -2.972 -0.378 2.886 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 -5.591 -1.627 3.662 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 9.087 20.605 5.307 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 -1.733 -0.673 -2.520 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 21.739 -22.022 -3.077 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 4.847 8.085 4.011 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 -2.621 0.276 -0.870 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 -6.039 14.795 -6.036 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 4.075 25.298 -7.815 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 3.305 2.168 5.880 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 -5.849 1.376 0.036 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 -5.425 2.667 -10.922 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 6.044 10.072 2.211 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 -5.252 -10.695 3.794 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 -14.013 3.644 11.810 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 5.463 4.082 0.725 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 3.389 -10.355 0.005 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 -13.486 11.059 9.970 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 -3.520 2.478 2.902 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 8.147 -9.523 7.404 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 0.553 1.955 18.251 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 -4.461 2.523 -3.425 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 1.264 -2.578 23.548 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 1.315 27.712 -11.565 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 -3.508 -0.349 3.464 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 7.258 8.229 -3.291 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 -12.757 -2.927 -8.343 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 0.434 8.230 -1.736 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 7.464 1.828 0.856 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 -2.433 5.441 -13.136 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 -3.508 0.077 6.193 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 -9.666 1.214 9.336 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 22.058 -7.186 -12.673 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 3.844 -3.361 2.744 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 -11.207 -4.103 -12.736 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 -0.658 -1.879 -3.198 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 0.604 -1.306 0.626 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 -2.928 -11.557 5.481 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 -5.703 0.551 -4.839 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 -0.464 6.116 5.393 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 1.880 -5.789 8.589 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 -19.337 15.299 8.084 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 -0.867 2.088 1.878 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 -22.385 6.171 -7.339 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 3.266 2.005 -8.733 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 -4.972 -4.077 -0.634 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 -11.029 -16.058 -1.535 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 -6.274 -5.156 8.200 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 -3.085 -3.514 -0.811 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 -5.494 -49.642 22.425 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 -5.301 -21.879 12.344 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 0.214 1.285 0.589 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 -14.632 4.085 3.824 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 -0.943 -3.719 -7.199 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 -1.101 -3.968 1.970 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 -4.106 -5.132 4.685 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 -2.907 -0.840 2.829 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 -1.346 2.505 -0.046 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 -8.410 -3.150 -3.946 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 -12.525 4.499 3.373 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 1.403 5.734 -2.359 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 6.050 6.435 7.324 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 6.559 -5.438 -11.650 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 0.237 0.924 -1.349 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 -6.782 6.330 12.086 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 1.001 3.923 7.206 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 -0.193 2.076 -5.798 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 23.490 -2.213 -16.046 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 -23.365 10.310 -22.573 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 2.187 4.514 9.335 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 -4.944 -32.348 3.561 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 12.334 -8.972 18.082 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 1.871 0.305 3.296 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 -3.000 11.439 -2.730 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 11.513 -6.031 0.517 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 -4.468 4.344 -0.539 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -3.992 -10.502 -16.242 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 0.649 8.058 -2.137 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 1.673 3.463 -4.609 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 6.699 6.295 12.629 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 -1.604 -7.781 -5.155 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 6.960 2.658 9.257 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 8.557 0.639 14.640 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 5.171 2.706 8.080 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 3.368 -1.007 -5.759 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 4.454 -6.520 -3.955 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 -5.696 -3.662 -5.576 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 3.720 3.788 5.193 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 47.701 21.214 7.980 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 13.113 -35.272 33.654 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 -2.998 -2.380 0.497 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 -17.720 -17.484 -10.766 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 -8.555 13.187 -5.609 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 2.084 -5.096 -8.278 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 5.063 6.188 -6.689 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 2.358 4.523 9.497 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 2.010 4.538 1.692 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 14.462 -5.729 12.604 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 7.229 13.161 16.737 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 0.192 1.576 1.528 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 -0.109 -1.793 8.240 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 -6.912 -0.769 4.437 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 -1.739 -4.671 -8.204 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -1.126 -2.800 5.809 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 -2.796 -1.298 30.882 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 1.960 3.353 -1.892 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 -2.403 -24.421 -31.802 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 5.559 -0.195 -17.422 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 3.283 3.094 2.532 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 21.681 9.854 20.861 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 -0.722 9.603 -1.283 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 2.063 -3.605 2.941 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 8.358 -10.490 -9.247 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 9.776 -2.201 -8.100 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 2.049 3.202 4.703 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 2.705 -2.206 6.941 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 2.877 4.983 -3.431 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 1.075 -0.551 0.835 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 7.895 -4.646 7.490 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 7.613 6.009 -5.620 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 1.000 -2.393 -1.472 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 -17.050 41.453 4.899 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 11.992 -3.585 14.024 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 6.094 -3.885 -3.915 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 -9.207 -7.245 -1.045 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 -38.892 1.438 -0.458 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 -1.503 -2.182 -3.559 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 -4.162 -13.393 35.895 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 -16.352 -1.711 -40.336 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 -1.736 -5.632 -2.844 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 -5.930 0.141 -5.334 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 20.492 -5.601 2.247 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 -5.628 -0.471 -1.343 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 -3.317 0.715 -23.790 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 -2.863 -10.780 10.830 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 0.262 -1.039 -0.902 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 -5.495 4.680 -4.408 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 10.652 0.458 0.261 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 0.610 -4.118 2.608 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 11.866 15.775 -12.477 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 13.820 20.519 -6.819 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 2.564 -5.811 -10.173 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 8.955 -0.359 -11.580 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 2.352 -3.668 2.989 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 7.593 5.221 0.901 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 3.514 9.457 7.836 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 6.111 -2.756 6.653 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 -2.369 7.556 2.141 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 18.828 3.462 -23.633 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 9.969 14.731 16.357 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 -0.139 9.141 5.093 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 -9.866 14.771 16.056 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 -9.252 9.015 -24.196 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 -4.265 1.196 0.509 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 -8.752 -14.222 10.874 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 -7.524 -4.293 8.821 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 0.442 -5.054 7.742 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 -18.636 -11.461 15.235 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 2.316 -2.338 8.860 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 -2.293 -7.045 -6.941 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 -0.451 14.681 -18.497 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 2.047 -20.548 -15.620 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 2.351 0.321 -5.782 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 2.969 -3.074 -4.563 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 -1.605 2.614 1.761 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 3.752 2.878 0.204 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 -12.697 3.766 1.870 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 -9.348 9.166 25.143 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 -1.473 4.771 1.055 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 -21.010 5.204 -9.314 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 16.550 -6.083 -20.182 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 1.653 0.760 -5.005 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 8.006 -17.919 18.625 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 19.424 5.705 -29.485 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 5.931 -3.371 4.361 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 18.012 -6.884 -18.833 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 -7.868 -13.469 10.750 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 1.878 -6.776 -5.122 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 -18.022 -2.134 -5.511 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 4.095 -19.353 8.604 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 -0.067 5.345 -1.332 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 8.662 -18.712 -8.964 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 -12.208 0.838 6.541 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 -1.295 -1.116 -2.726 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 8.647 2.245 -23.004 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 4.102 6.656 31.215 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 -5.152 1.714 -3.725 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 -8.783 -6.650 -20.508 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 -8.333 0.902 -6.285 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 0.168 1.139 -5.813 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 4.963 7.147 0.737 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 -4.802 -8.731 -2.635 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 5.314 -2.107 -5.659 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 -3.408 5.214 -5.495 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 0.030 20.466 -0.494 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 -2.097 1.613 1.239 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 -1.273 -13.495 -0.802 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 -0.449 -20.046 3.112 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 5.474 1.461 0.662 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 10.622 0.636 10.969 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 2.893 -12.462 8.463 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 -6.056 -3.645 -1.124 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 25.481 15.236 -33.541 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 -19.384 -5.686 23.559 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 -8.441 2.160 -0.344 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 11.735 12.967 26.655 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 6.184 -28.613 -12.394 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 -3.410 8.323 -3.472 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 -4.767 1.759 0.302 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 2.656 6.038 -7.882 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 0.354 2.801 5.628 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 -1.850 0.640 2.482 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 6.823 13.827 14.656 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 -5.977 -0.962 -1.884 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 8.761 -31.288 31.366 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 -1.838 -19.827 9.416 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 -3.018 1.058 -5.464 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 -3.226 -4.549 -17.491 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 -5.083 -2.444 -6.422 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 0.125 0.330 -0.869 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 25.013 6.645 -12.032 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 -13.212 0.908 -4.641 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 -5.569 1.920 5.416 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 4.393 -0.179 -2.566 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 -14.132 -3.453 2.780 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 -3.382 -0.678 0.693 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 11.054 -12.175 -4.996 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 -3.819 1.069 -2.725 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 -3.182 4.726 1.703 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 -9.829 10.410 11.144 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -11.649 3.505 -6.076 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 3.190 -0.596 -5.020 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 14.556 4.431 14.871 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 16.601 -3.731 -27.635 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 0.457 -2.882 5.023 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 7.888 0.783 -5.897 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 10.471 1.583 -10.627 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 -1.804 4.558 -2.823 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 -4.422 9.592 -32.826 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 -17.940 -9.897 22.241 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 -7.865 -0.157 -0.930 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 2.506 -3.827 6.340 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 18.523 -10.902 17.976 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 3.988 5.699 -3.787 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 -2.812 1.560 7.054 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 3.884 -2.142 -2.273 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 -1.184 -3.106 -3.161 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 -17.863 10.390 -9.440 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 -3.193 -10.871 16.361 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 -0.555 3.181 -0.202 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 1.622 3.062 -1.824 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 9.987 5.572 -13.832 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 5.809 -3.857 -0.443 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 -9.018 7.249 1.051 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 17.268 -23.556 0.184 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 -2.759 -3.044 1.103 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 10.091 8.662 16.260 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 2.425 -8.622 9.770 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 3.215 -3.345 9.898 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 -10.355 -7.680 29.279 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 6.830 4.487 -11.281 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 -6.738 1.127 6.957 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 -7.002 21.430 -3.644 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 -1.880 3.643 6.145 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 0.720 0.044 -1.565 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 -6.315 1.042 -9.745 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 8.203 6.988 -2.171 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 -2.670 -2.784 -2.613 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 -19.924 1.444 -9.716 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 11.058 -12.064 -17.300 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 1.192 2.834 -7.166 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 6.334 15.308 -3.800 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 -9.410 -0.120 5.178 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 -0.613 2.408 4.857 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 6.004 -2.255 9.774 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 9.907 -3.474 24.322 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 -3.047 0.118 -0.875 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 0.542 2.795 2.798 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 -0.385 2.075 1.801 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 -4.963 1.026 -3.962 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 9.984 -29.939 -11.211 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 11.084 21.664 -11.027 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 1.752 2.865 1.108 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 0.913 12.402 -2.797 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 3.879 2.128 -3.938 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 -1.786 2.319 -6.776 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 -1.499 2.860 -6.742 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 -0.725 0.923 -7.828 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 -0.996 -1.031 -5.830 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 13.590 -10.702 -4.063 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 -5.515 7.556 -6.987 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 4.562 -8.947 -3.263 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 11.552 -3.416 -6.612 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 -19.449 -2.260 -8.381 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 -1.920 2.439 -5.810 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 -10.380 24.191 24.322 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 23.846 3.677 -12.179 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 -1.529 1.567 3.215 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 14.372 -7.125 7.911 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 3.159 4.154 16.593 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 -3.774 8.419 1.765 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 -0.497 3.851 2.608 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 -0.628 10.309 6.817 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 5.093 -0.436 2.985 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 -5.943 -6.096 -3.730 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 -9.242 -3.869 -6.486 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 1.303 5.192 -0.760 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 27.209 -15.114 5.199 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 -10.847 9.154 -0.339 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 -0.217 -2.870 5.671 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 2.333 -0.809 10.749 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 1.747 -0.291 1.540 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 2.512 -1.170 4.208 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 -17.215 6.099 14.663 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 25.576 10.108 6.002 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 6.052 -0.406 1.232 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 30.390 3.134 -28.671 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 4.807 -4.015 -10.155 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 -5.273 -0.597 -3.085 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 -3.806 13.837 -2.527 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -12.690 1.171 6.381 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 3.373 0.123 2.325 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 -9.157 -6.839 -4.247 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 -3.218 10.163 3.159 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 6.036 2.026 -8.576 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 -9.333 -18.653 -8.494 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 15.901 -20.481 -6.730 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 -0.836 2.037 0.217 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 -15.919 1.544 -6.241 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 -18.155 6.760 7.651 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 -1.393 1.228 -4.394 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 2.613 -5.894 10.256 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 -2.219 7.131 -0.098 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 2.933 -4.672 0.724 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 6.309 6.262 7.754 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 1.359 -12.486 -9.165 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 -2.617 -0.727 -2.761 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 -2.280 5.819 -15.178 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 -6.636 -4.015 23.046 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 -2.553 -1.395 3.770 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 -2.377 -18.477 8.671 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 7.748 -16.541 14.481 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 -1.721 -0.878 -0.751 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 2.538 4.446 -5.351 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 0.904 -6.229 -1.434 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 -0.293 -1.132 0.437 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 -21.700 -13.286 -14.758 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 8.357 -2.023 9.704 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 2.285 7.874 -6.934 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 2.429 5.259 -11.096 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 2.670 3.686 -2.811 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 2.926 -0.960 -2.324 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 -7.084 -13.225 -19.224 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 6.608 -8.903 -1.242 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 4.882 -3.307 -2.757 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 17.795 6.325 4.189 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 -3.910 -5.308 -5.171 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 6.713 -2.053 0.223 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 -0.855 16.601 15.799 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 -3.236 -20.726 1.927 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 -1.566 -5.159 2.511 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 1.273 -20.241 -8.360 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 -9.489 13.456 4.691 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 -7.405 -1.303 -2.015 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 -16.768 20.155 -2.954 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 -7.509 1.642 -0.852 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 4.917 5.877 -1.374 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 -7.029 16.112 6.748 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 26.855 1.953 -21.817 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 -0.883 -2.770 -2.906 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 14.064 -24.976 22.668 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 7.984 -15.634 11.594 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 7.313 -3.588 0.924 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 -0.578 -3.309 -4.284 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 22.563 -15.347 4.877 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 0.575 -4.049 -5.044 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 -2.479 -5.866 -5.665 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 -27.233 -22.860 0.183 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 -4.920 -1.512 -4.792 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 38.963 5.729 7.849 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 5.987 21.024 5.537 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 -1.960 8.265 -1.605 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 -11.304 -6.030 1.305 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 0.506 3.965 -16.836 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 -2.031 1.569 1.691 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 -1.919 -2.662 0.055 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 -18.455 -13.399 5.980 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 -1.371 -3.449 3.190 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 25.426 0.061 -18.800 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 -8.128 -12.150 -29.466 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 11.286 -6.480 11.744 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 -0.088 13.478 -14.395 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 -0.745 24.095 -11.488 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 -3.163 2.928 2.576 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 11.135 5.654 7.349 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 -13.081 1.269 -6.473 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 -2.455 0.165 1.017 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -10.280 -7.654 24.306 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 12.590 -20.738 -11.404 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 -4.081 -1.766 -2.040 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 7.493 -9.760 0.287 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 18.826 3.441 -11.219 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 -2.577 0.970 -3.173 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 0.174 6.140 4.677 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 -8.381 -4.097 -7.854 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 -3.468 4.915 6.768 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 8.556 -0.886 -7.480 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 1.003 -7.017 9.684 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 -3.039 -6.016 -0.130 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 13.362 4.218 0.183 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 14.956 -8.174 9.963 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 6.590 1.903 -3.023 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 1.380 20.283 7.484 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 -11.360 -6.426 -15.100 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 5.832 -5.870 1.873 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 9.448 1.133 5.730 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 13.516 -8.948 2.297 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 4.726 3.553 2.827 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 -8.223 2.495 8.210 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 18.211 10.277 -4.638 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 1.825 -5.859 3.489 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 18.147 1.606 -28.156 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 -25.194 -16.785 -6.544 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 5.242 8.242 -1.760 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 2.948 -2.736 7.191 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 5.057 1.002 7.072 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 -1.687 1.423 3.979 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 12.401 -4.694 -7.309 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 12.151 8.842 -1.199 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 -2.892 -2.913 -2.795 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 16.857 18.585 -8.819 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 8.953 11.124 -5.577 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 -6.540 1.513 -1.044 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 -8.148 3.787 -10.429 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 0.315 -9.855 13.746 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 -3.873 -6.345 -3.655 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 -2.186 -3.194 1.940 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 -2.014 -0.636 2.353 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 -1.734 -1.824 5.194 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 3.706 -1.948 8.547 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 -3.030 -1.489 4.112 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 1.880 -1.994 0.093 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 -12.942 -3.807 -2.162 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 -13.734 0.230 -19.677 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 4.018 0.357 3.037 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 -0.001 11.257 -5.493 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 -4.406 -8.637 6.497 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 1.507 -4.535 0.417 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 0.212 -13.537 -0.550 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 2.845 9.646 -1.556 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 5.186 -5.532 6.736 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 12.385 -8.303 -1.155 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 19.789 -5.328 7.184 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 2.429 -4.097 -6.001 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 -18.462 -7.270 -13.934 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 -5.080 -1.255 1.096 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 1.296 3.166 6.334 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 -4.796 -4.643 -22.959 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 -10.288 26.391 2.057 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 -2.788 1.242 2.788 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 8.023 -6.140 17.676 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 19.935 -4.146 1.927 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 0.067 -3.186 0.975 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 0.977 -1.505 0.422 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 -3.004 -5.410 -1.737 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 -6.033 -7.269 -0.901 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 -4.440 -13.267 12.085 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 2.362 -3.119 1.122 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 -0.702 0.835 1.972 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 0.601 12.105 -15.009 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 -8.426 -3.086 4.487 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 0.854 -2.748 3.689 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 7.605 -48.468 -10.673 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 -5.880 14.723 -15.494 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 -3.518 -0.870 -1.310 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 5.124 10.991 -26.860 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 -23.926 -15.597 -13.460 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 -7.752 4.958 -0.927 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 -1.837 -17.894 -4.754 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 -12.285 9.648 -0.076 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 2.730 4.578 1.346 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 13.492 3.358 16.054 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 -14.519 10.830 -8.978 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 4.172 0.205 -3.138 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 -4.564 6.724 -34.622 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 31.002 -11.948 -12.702 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 5.747 1.458 0.284 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 -5.114 -6.184 9.229 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 7.006 -5.652 9.643 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 -3.153 5.200 -1.404 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 -6.478 6.030 1.439 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 -3.079 5.637 -3.815 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 6.764 -1.883 -5.153 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 -5.043 3.680 -14.955 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 -2.122 13.882 -8.104 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 4.419 -3.588 3.242 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 -1.437 -4.937 -3.498 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 5.509 -4.063 2.998 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 4.719 -2.172 -1.489 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 -15.298 2.159 -4.044 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 4.789 -2.051 -6.410 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 1.329 2.199 -2.789 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 9.964 -0.430 -24.208 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 0.190 1.246 3.116 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 -0.568 -6.226 -3.040 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 7.006 -14.741 -9.423 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 -2.341 -22.597 -10.979 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 -0.254 -0.448 7.411 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 5.102 -1.702 14.551 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 1.332 1.427 12.066 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 -5.407 0.054 -0.084 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 10.055 -3.510 0.078 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 -7.324 -7.731 -1.107 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 -4.657 -4.705 -4.509 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 12.943 0.638 -3.827 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 14.227 2.146 -0.921 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 0.970 -0.934 -4.456 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 11.206 -12.294 -22.694 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 6.621 11.773 20.477 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 -2.321 -3.950 -2.923 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 -15.868 7.639 -11.184 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 -3.095 -17.162 1.232 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 1.928 2.195 -0.547 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 -11.298 -11.315 -17.970 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 0.394 -6.271 -14.222 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 2.439 -1.397 -0.327 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 -0.014 0.140 8.155 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 16.915 17.398 -3.608 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 0.787 3.172 0.509 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 -1.293 -5.556 0.770 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 1.302 1.756 1.458 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 0.966 -0.444 -7.870 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 5.616 -6.047 -27.633 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 -12.446 -5.872 0.929 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 -0.321 -2.009 -0.533 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 -1.882 -4.155 -7.899 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 -2.649 -3.210 -7.242 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 -2.206 1.747 5.334 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 -1.183 -1.646 -13.231 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 8.987 4.261 10.616 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 5.514 -4.464 1.594 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 4.197 -2.852 1.256 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 19.199 -6.152 -3.929 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 -5.344 -2.490 -0.428 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 -2.021 4.156 1.496 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 -15.075 -1.743 -9.015 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 0.112 1.845 4.179 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 -1.332 19.372 -31.463 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 -5.211 3.817 14.114 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 -4.445 -0.177 -1.169 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 -7.949 2.155 0.979 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 2.043 3.629 -6.314 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 -0.055 -1.741 -3.621 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 -8.722 -6.698 12.065 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 -0.701 -3.540 2.484 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 1.106 0.261 2.572 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 19.018 -20.625 10.908 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 -13.292 0.852 2.203 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 -6.791 -1.289 -0.513 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 0.722 2.318 17.778 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 -7.570 -0.212 -17.309 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 5.919 1.349 -3.398 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 -1.318 19.305 11.389 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 -6.819 -17.778 13.101 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 2.191 -1.309 1.578 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 -4.080 10.159 -2.358 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 5.496 -1.096 -6.704 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 1.230 4.030 -0.730 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 -0.153 1.511 5.995 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 -3.282 5.986 -19.197 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 1.372 -5.564 7.988 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 9.630 -25.484 8.405 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 0.280 16.262 -0.220 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 -1.290 8.491 1.006 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 14.576 6.141 -4.938 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 -2.504 20.234 4.134 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 -0.239 -2.801 0.329 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 -1.544 4.422 -8.171 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 -11.567 -7.493 6.058 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 -1.862 4.532 -0.144 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 -6.474 -9.395 -2.503 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 -0.353 1.969 11.961 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 -1.284 -1.184 -1.393 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 -13.618 9.729 -5.207 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 2.846 11.715 0.224 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 -3.546 1.484 5.127 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 11.488 2.438 3.402 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 -5.568 -11.790 9.945 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 -2.148 0.407 -3.987 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 -17.971 -19.603 -10.626 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 6.024 -24.161 -16.735 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 -1.544 2.970 -3.723 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 -9.900 39.449 -8.727 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 -28.678 -11.774 3.991 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 4.296 3.156 -2.166 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 16.777 -10.261 8.711 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 7.696 22.736 2.096 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 1.779 0.436 -1.531 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 2.656 -0.938 -1.824 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 -0.757 4.905 5.808 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 6.283 0.663 4.441 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 9.837 -5.083 8.241 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 10.298 3.076 -1.561 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 2.093 0.554 3.231 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 3.973 6.005 6.765 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 2.907 -5.183 -3.729 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 -2.481 -0.082 1.667 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 -12.915 14.193 -1.641 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 -12.229 -10.090 10.648 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 -2.797 -6.370 0.485 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 -1.354 2.109 20.051 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 11.314 -7.983 25.287 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 -1.354 -2.552 -1.280 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 -6.001 7.494 7.112 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 10.330 4.490 -6.086 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 3.218 4.532 -0.461 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 3.793 0.686 -13.278 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 3.875 8.583 14.879 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 5.271 -6.933 4.164 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 6.244 2.449 -2.759 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 9.598 -19.237 6.581 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 2.338 7.580 1.385 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 4.740 3.570 -15.909 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 6.892 1.292 11.205 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 -3.653 -4.244 -1.601 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 2.298 -14.444 9.463 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 9.831 -3.029 -12.129 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 -0.622 -6.916 4.957 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 -19.638 -1.981 3.211 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 15.881 2.990 -3.805 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 2.183 -7.745 -3.861 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 -24.090 0.686 17.627 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 -2.917 -6.577 4.107 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 -1.048 4.875 1.297 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -4.583 4.458 -1.837 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 -15.362 -20.452 17.019 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 4.994 1.926 -2.168 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 7.318 15.678 18.805 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 11.201 1.775 1.134 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 3.216 -0.294 0.107 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 -19.873 1.637 -11.871 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 13.952 18.881 1.716 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 -0.031 -1.973 -6.699 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 -5.407 -1.623 -2.241 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 -17.575 -1.586 -0.624 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 3.204 3.979 -5.914 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 -10.640 10.127 8.218 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 0.594 2.289 -9.204 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 3.830 3.430 5.071 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 27.954 7.033 -19.866 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 12.127 15.222 -2.814 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 4.876 0.688 1.116 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 18.351 -3.294 -8.600 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 2.335 -17.044 -2.112 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 5.588 -0.702 -1.069 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 -10.507 1.314 -9.081 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 -3.821 5.250 15.850 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 -5.159 -2.546 10.847 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 5.929 0.261 -1.944 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 14.192 -11.476 -30.441 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 -3.249 -5.097 2.671 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 -9.180 12.457 -4.527 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 5.832 0.772 20.536 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 2.126 0.645 -3.209 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 -6.393 6.962 7.429 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 -7.796 8.781 -11.629 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 1.306 -0.875 4.473 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 5.206 -23.483 3.250 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 6.498 -14.802 2.670 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 -4.536 -5.401 2.598 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 0.786 8.642 -15.748 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 1.707 9.215 -12.573 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 4.353 7.060 2.487 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 17.522 7.270 -1.830 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 -1.928 7.810 -4.945 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 7.709 4.812 -1.423 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 -8.506 -13.965 -5.313 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 -4.637 -7.415 -34.067 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 -1.697 -3.752 -2.140 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 -13.312 -18.316 -11.980 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 -16.044 22.355 8.598 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 3.854 -2.208 -3.064 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 7.814 3.689 2.163 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 -7.107 4.287 -1.753 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 -3.584 -6.446 9.247 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 -8.237 14.086 1.173 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 -3.172 -9.279 11.179 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 -4.574 -0.493 2.377 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 -1.461 -6.242 0.839 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 -0.436 8.112 2.982 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 0.658 -1.793 -5.814 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 2.183 1.703 -2.877 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 -16.420 -12.259 -3.414 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 -6.148 2.909 0.063 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 5.368 7.868 -17.360 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 5.528 21.995 15.805 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 3.796 -2.751 1.618 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 7.224 -18.437 -2.375 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 -0.776 1.496 15.813 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 1.161 0.687 -3.959 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 13.304 -2.710 -9.464 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 14.245 -5.956 -24.672 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 4.493 -1.620 5.354 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 -11.441 -1.378 11.544 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 14.086 6.211 3.809 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 5.414 5.468 -7.385 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 -2.036 -16.592 -27.566 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 -4.458 -20.294 22.874 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 1.796 0.243 -4.365 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 3.715 -16.972 -18.178 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 -5.993 -16.841 19.876 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 -4.655 -4.719 2.535 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 -4.951 -17.903 -0.727 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 -4.263 2.432 16.080 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 -3.809 -1.122 -0.341 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 4.554 4.851 0.420 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 1.226 -1.624 7.157 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 -1.224 -0.118 7.225 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 -18.219 -4.101 4.125 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 -7.817 -4.379 2.417 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 -0.582 0.007 -2.063 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 -8.710 -6.000 10.970 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 -18.568 5.650 0.729 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 -3.923 3.646 2.325 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 -12.107 18.194 16.651 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 10.900 -18.533 -18.895 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 4.019 -1.296 -0.291 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 1.726 -1.660 4.637 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 6.694 -5.443 -1.230 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 5.612 5.794 -3.897 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 -1.364 -16.182 -3.215 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 3.453 10.269 -5.980 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 3.834 4.361 3.352 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 5.982 5.530 6.142 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 4.640 -3.323 0.911 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 -2.538 -0.707 2.170 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 1.044 3.746 13.324 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 -44.681 5.315 10.918 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 1.309 1.819 -10.810 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 2.907 8.940 -22.163 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 5.601 7.101 -4.097 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 -0.337 -0.477 -1.393 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 6.351 0.978 0.678 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 -30.794 -16.562 -12.228 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 -7.322 2.253 -1.733 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 14.016 -0.716 9.858 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 -1.312 -20.947 -2.303 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 -1.416 6.367 4.378 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 -9.329 -5.428 2.981 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 0.298 11.011 4.865 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 0.924 -6.346 -0.305 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 2.526 -4.572 -4.584 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 1.595 -6.845 -7.156 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 -2.068 -2.292 0.204 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 -9.391 12.526 0.063 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 3.174 -5.177 5.188 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 -3.464 0.871 -5.055 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 11.758 11.548 -8.826 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 -1.438 -1.155 3.186 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 -5.510 -8.480 0.766 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 -17.787 3.706 0.187 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 5.999 17.856 8.037 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 -4.767 2.749 4.037 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 -12.158 0.692 -15.186 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 5.854 -1.464 2.766 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 2.383 3.004 3.954 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 16.138 12.423 -9.833 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 2.260 1.931 -1.091 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 3.485 -2.531 -0.794 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 -3.037 -27.289 -21.575 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 4.220 12.127 0.323 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 4.053 4.090 2.798 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 3.073 1.491 2.318 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 -4.602 7.749 -0.671 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 0.206 4.737 0.970 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 -18.435 7.481 0.363 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 22.667 -13.623 12.774 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 -2.697 2.654 0.393 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 -5.752 -1.490 -17.752 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 -7.645 3.667 15.840 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 1.937 4.559 3.563 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 -3.971 3.039 5.259 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 28.556 8.518 -0.460 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 -1.820 5.391 -2.002 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 -8.578 -4.837 -20.390 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 -6.979 -1.667 1.698 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 -4.326 -4.077 -5.605 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 0.010 10.805 2.250 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 -2.975 1.532 -2.318 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 -5.364 -2.645 -4.725 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 -7.297 2.634 -33.894 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 19.605 -4.573 1.030 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 1.852 -5.298 6.837 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 5.678 -3.611 5.308 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 9.646 0.024 7.551 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 -0.940 3.316 5.127 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 -18.885 -5.575 7.554 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 10.765 4.071 2.498 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 -0.460 4.224 -0.301 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 13.548 18.490 -8.907 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 -4.727 -4.637 6.866 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 -0.571 -0.311 -4.883 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 10.693 2.157 9.895 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 -1.246 -0.208 -6.222 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 6.635 2.626 1.595 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 -13.174 2.970 -31.490 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 1.611 -1.798 -5.853 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 -2.773 -1.029 -5.184 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 -15.563 -9.735 -9.554 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 5.725 22.040 16.896 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 -4.768 -0.481 -1.136 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 3.707 3.896 18.330 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 -9.144 6.014 -12.161 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 -4.589 -3.765 1.853 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 -9.685 10.106 -1.976 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 1.852 15.618 -14.425 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 -0.755 -1.856 -4.434 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 12.057 7.533 4.194 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 14.297 10.852 8.892 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 0.141 -0.143 -0.320 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 2.135 -7.043 -18.026 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 -6.558 -13.728 14.442 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 2.817 -1.849 0.410 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 -1.976 24.112 -3.386 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 -7.482 6.622 17.065 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 -1.349 1.806 5.615 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 -5.940 -4.850 2.005 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 -12.532 8.548 -4.392 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 4.630 -0.098 -2.334 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 -9.530 19.171 -22.713 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 -4.750 -24.045 -14.874 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 0.384 2.345 2.983 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 12.757 2.064 2.494 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 5.475 12.768 1.900 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 0.334 -6.474 1.274 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 -6.698 -4.084 -3.698 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 -28.860 13.457 -25.203 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 -0.783 5.072 -0.661 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 -5.540 10.944 6.848 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 -10.738 0.448 -8.425 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 3.429 -7.566 -3.787 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 7.480 -21.715 -21.881 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 3.546 -26.985 -0.395 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 -2.258 -0.138 -4.272 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 -8.865 -12.830 1.140 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 7.135 -13.409 -8.798 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 -0.073 0.293 3.321 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 27.530 4.333 9.250 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 5.599 0.725 15.260 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 -0.979 0.563 -5.730 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 3.637 6.832 -10.952 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 -15.035 -11.433 5.293 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 1.135 -1.840 -0.597 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 7.685 10.294 8.105 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 14.954 -2.461 9.976 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 3.773 5.919 2.437 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 14.855 -9.845 11.800 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 -21.776 -4.843 -19.271 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 3.303 0.686 3.021 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 6.092 4.453 16.200 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 -12.068 18.110 7.754 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 -0.566 0.053 -1.765 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 -11.764 -25.321 -5.935 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 -6.667 -0.555 7.694 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 1.697 2.028 1.495 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 5.003 0.306 -6.176 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 9.216 -11.298 -5.681 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 -4.461 -7.107 -3.688 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 -8.735 5.282 -9.084 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 -4.618 -1.392 -3.658 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 -1.481 4.660 8.320 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 -7.905 -3.580 1.519 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 2.186 -0.042 2.992 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 -2.023 6.533 -3.186 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 -20.746 12.548 -2.326 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 -5.257 -9.994 -9.798 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 -5.913 -3.312 1.438 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 -4.313 2.480 -6.839 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 -3.550 28.475 -0.703 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 8.095 -7.078 -0.290 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 6.153 -8.429 -8.660 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 1.042 -14.692 -0.902 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 -1.003 1.933 -4.409 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 8.205 -24.644 -6.137 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 -23.886 -19.129 0.253 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 -1.573 1.658 1.642 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 1.057 25.045 -23.680 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 17.906 -7.991 -12.617 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 -1.958 -4.835 2.160 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 -2.540 -5.435 -16.415 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 1.293 -25.618 12.709 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 0.472 -1.620 -0.610 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 -8.181 -7.097 -19.670 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 1.082 -7.167 -6.212 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 -3.307 1.746 -3.942 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 0.736 10.116 -13.389 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 -0.275 -18.066 -16.551 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 -2.661 -0.902 2.207 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 4.162 -17.297 -12.212 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 -1.789 -4.970 -2.459 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 1.011 -3.968 1.315 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 -9.394 -2.584 22.778 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 -1.299 -3.773 5.517 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 6.960 -2.271 -1.432 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 16.521 -2.597 -11.172 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 6.913 5.519 -6.595 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 -1.044 -3.875 -3.830 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 -1.660 0.537 -17.871 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 -2.335 -16.466 -4.778 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 1.413 3.191 -3.416 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 -10.409 14.203 -16.771 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 -15.326 -12.759 -1.479 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 6.818 -8.571 0.143 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 -13.809 -8.885 2.928 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 7.449 -0.319 -11.654 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 5.985 -0.269 -0.536 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 7.557 -8.286 10.647 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 -3.715 23.784 1.292 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 -4.296 0.851 5.325 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 9.713 -1.787 17.654 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 -2.479 8.144 -16.075 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 -0.069 0.003 4.102 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 -2.987 1.971 12.567 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 -6.745 -6.807 1.688 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 -5.036 -5.061 -0.816 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 -1.599 -5.406 -0.028 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 0.829 -1.984 -2.200 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 -1.043 -3.839 5.236 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 -13.840 6.851 -21.894 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 2.742 5.390 2.957 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 -0.477 -1.225 -1.138 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 8.576 2.831 -9.650 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 -9.400 7.993 -0.382 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 6.733 1.618 0.985 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 7.087 0.498 -12.564 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 1.331 0.661 3.661 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 -3.317 2.464 2.319 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 -3.840 -10.290 24.372 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 4.296 8.400 -6.086 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 3.501 2.223 -3.250 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 -4.391 -5.733 22.958 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 -15.599 14.302 -11.197 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 -1.375 0.274 -1.157 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 0.719 -0.828 -13.918 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 -2.954 3.137 5.324 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 1.328 -2.367 0.481 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 -7.960 9.477 -0.522 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 -50.372 -21.074 -8.968 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 -2.334 2.241 1.725 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 0.460 12.334 0.141 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 -9.704 5.564 -4.518 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 -7.076 -2.906 -2.791 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 -7.019 13.365 4.071 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 0.270 -2.204 10.379 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 0.004 -0.128 3.721 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 3.190 -1.070 0.340 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 10.191 1.985 7.271 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 -1.872 4.655 -2.555 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 -0.053 -26.642 5.320 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 5.941 -1.539 -3.821 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 5.460 3.688 -0.851 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 12.637 9.650 6.521 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 -18.121 -11.905 -16.732 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 0.488 -0.038 1.324 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 -0.539 6.077 -2.795 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 -4.791 11.053 -10.744 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 -4.191 2.700 -1.745 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 -15.458 14.050 11.235 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 -3.929 8.294 1.500 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -3.009 1.860 -4.158 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 19.303 -10.759 -1.016 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 11.286 -17.645 -20.381 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 2.113 4.629 -0.298 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 4.455 -4.999 0.267 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 -17.256 3.564 -6.339 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 2.870 0.237 -3.023 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 8.704 -9.871 -6.510 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 -12.009 19.606 -20.956 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 0.159 1.748 -0.573 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 0.344 -7.052 10.396 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 -12.256 1.319 -4.541 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 -1.630 -4.804 1.355 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 8.522 -17.215 8.632 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 -13.490 6.503 14.810 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 -10.626 -4.846 1.017 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 -4.429 7.734 -9.999 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 -11.724 -8.896 -4.860 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 4.262 -4.751 -7.680 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 2.151 -25.671 -12.655 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 -0.772 8.798 2.689 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 3.198 2.511 4.166 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 7.974 2.350 -0.049 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 7.102 -9.635 20.701 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 -0.456 -0.866 -1.873 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 -0.102 9.470 -11.603 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 0.534 -1.101 -4.618 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 -0.690 -4.474 0.317 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 -2.749 -4.262 6.534 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 -27.051 14.723 14.172 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 -1.057 -2.475 -0.303 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 -14.388 -3.147 -21.531 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 6.631 -25.897 -0.683 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 -0.199 -0.822 -3.862 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 -0.247 -16.594 -18.053 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 16.556 -12.663 4.097 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 2.646 -1.325 -2.835 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 9.742 -5.355 12.124 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 -0.388 -10.600 3.580 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 -1.236 -6.503 4.509 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 -3.136 -4.514 8.583 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 4.340 -5.265 3.382 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 2.039 4.798 -2.318 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 2.873 19.922 2.334 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 16.509 -1.565 -4.527 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 1.543 0.378 2.893 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 0.081 4.716 1.327 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 -2.435 -18.136 6.432 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 0.502 5.307 0.749 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 2.467 11.033 1.330 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 -0.156 -3.614 -3.887 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 2.744 -8.299 -2.535 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 10.016 0.324 0.114 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 -16.218 -10.191 -7.154 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 -2.658 5.069 -4.108 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 -5.797 12.810 -5.477 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 4.859 -15.162 -3.530 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 -6.400 2.087 6.741 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 -17.081 -15.338 -6.975 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 11.280 -1.480 8.797 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 -1.704 -2.907 -4.198 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 -1.965 -7.541 -20.235 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 -11.026 8.819 -4.261 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 2.544 -10.796 -6.786 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 8.022 -12.179 -5.234 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 -0.229 -6.173 4.256 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 -1.998 1.114 3.196 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 -6.022 -1.729 -10.181 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 -1.759 -18.291 11.022 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 5.222 -0.049 3.764 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 11.590 1.290 -2.648 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 16.937 9.943 -1.992 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 9.900 6.231 -0.911 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 -1.254 12.872 -13.410 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 -10.347 -11.363 5.520 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 2.197 -3.498 -2.020 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 3.774 0.630 -8.043 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 3.906 4.142 4.246 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 4.636 1.122 1.578 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 5.391 -3.922 18.400 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 -1.327 4.144 10.428 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 0.477 -2.191 3.702 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 11.670 -1.921 -12.397 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 2.858 10.462 24.705 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 1.611 -0.742 2.320 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 -24.694 13.602 2.010 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 -6.761 -22.113 16.461 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 2.552 -2.579 -3.218 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 18.114 -0.816 -7.506 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 -15.322 -5.890 4.277 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 0.936 3.752 -1.525 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 -1.214 -7.940 6.150 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 -25.583 -1.803 -18.084 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 -1.631 -3.524 4.023 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 -38.528 -24.818 -16.987 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 6.431 -3.939 15.140 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 0.281 -2.880 -1.168 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 10.975 -0.899 -2.974 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 -0.596 -3.780 4.798 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 -7.437 -2.187 -2.813 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 0.338 -31.865 1.123 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 5.391 1.988 18.847 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 1.771 -3.753 -1.669 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 12.142 -13.809 4.705 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 4.092 -2.699 1.500 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 -3.432 3.782 -3.554 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 -0.887 -3.484 -4.607 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 0.466 12.774 -19.650 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 0.814 5.175 3.072 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -2.911 -0.421 17.340 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 -14.664 -6.025 -23.862 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 1.035 -2.984 -5.554 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 -15.049 1.348 1.858 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 5.669 -9.546 12.183 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 5.278 3.833 3.785 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 6.892 -2.978 3.926 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 17.252 -8.433 -1.561 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 -0.227 1.567 -0.027 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 23.586 24.710 0.095 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 -1.349 2.692 -3.110 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 -2.332 -5.757 1.317 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 -11.944 3.245 -12.932 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 -4.867 0.188 -1.718 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 -0.871 -6.477 -1.835 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 -7.332 33.574 26.032 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 -17.143 28.608 -10.695 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 5.587 2.202 0.053 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 -0.159 -15.055 -0.362 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 15.781 3.371 -7.077 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 -6.871 -5.804 3.505 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 7.752 -5.193 -0.792 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 -8.276 -3.910 -7.836 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 -2.628 -1.240 4.154 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 0.728 4.823 7.754 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 -22.488 -4.379 -13.856 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 -1.194 7.236 -2.378 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 -17.428 1.771 -8.893 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 2.940 7.397 -1.347 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 5.620 2.014 0.169 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 7.716 15.964 2.534 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 7.151 -0.994 -12.912 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 2.040 -1.699 3.250 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 -14.363 -16.221 -2.868 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 5.505 3.222 -0.046 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 -2.250 1.521 -5.986 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 -0.702 32.268 22.857 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 -8.863 -26.290 -13.079 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 -0.659 -2.942 3.778 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 -0.635 12.336 13.769 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 -10.570 -9.443 -9.314 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 -2.822 -2.960 0.884 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 -10.269 -13.455 7.925 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 8.897 -6.701 -1.734 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 1.693 0.707 1.044 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 -1.804 9.470 -1.740 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 -5.221 13.986 -5.616 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 6.541 -1.566 1.747 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 -21.642 -6.138 20.763 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 9.022 -1.273 1.792 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 -3.232 0.935 3.439 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 -3.732 -22.253 7.833 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 16.709 0.490 -4.571 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 2.926 -3.806 -4.611 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 7.311 -13.200 -0.828 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 1.625 0.347 2.015 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 -2.246 -3.878 -0.405 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 10.136 -7.127 1.505 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 -6.226 -8.771 -8.994 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 -1.387 -0.540 1.218 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 -1.473 2.574 -17.947 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 -0.791 6.984 -27.892 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 -3.437 2.774 -2.164 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 -3.371 15.235 2.774 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 9.483 4.209 -2.107 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 2.987 -0.879 1.147 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 -1.202 15.732 -1.036 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 -0.070 -10.160 -16.312 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 -3.220 -2.055 -3.372 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 2.880 -1.565 25.489 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 14.855 -2.156 -12.221 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 4.825 -5.289 1.769 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 4.377 -3.776 0.055 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 4.274 -6.379 -1.382 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 3.773 1.036 3.310 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 1.448 -3.290 9.193 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 -3.067 10.472 0.128 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 5.530 -2.667 4.815 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 9.757 5.932 11.973 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 9.633 3.628 14.387 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 -5.991 1.855 1.416 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 15.481 -4.580 -16.048 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 -4.621 -8.344 23.080 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 3.483 3.165 5.535 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 17.615 -23.533 20.697 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 1.918 2.690 10.681 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 -1.276 1.626 -0.091 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 -11.097 -13.200 7.991 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 -16.140 -10.450 0.184 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 1.375 -4.291 -0.625 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 -10.536 -20.040 20.082 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 -2.283 8.181 7.613 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 -1.362 -6.693 -3.040 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 14.002 -4.073 -9.931 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 -21.848 3.140 1.090 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 -8.464 4.183 -1.765 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 -23.523 11.709 -13.806 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 -1.444 -5.861 -4.030 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 0.321 4.954 1.140 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 17.083 12.809 -0.410 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 -20.239 -5.780 -5.577 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 2.566 2.455 -2.557 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 6.584 3.738 8.424 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 14.406 2.032 7.196 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 -6.626 0.877 2.442 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 3.203 3.484 14.444 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 -13.639 -2.158 -5.106 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 -5.469 2.414 1.879 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 -0.728 4.426 6.884 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 -2.613 -0.295 -3.375 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 -2.902 3.291 3.253 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 -17.537 -5.128 8.337 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 -12.437 -9.348 10.410 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 2.184 -2.714 2.228 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 -18.947 -6.406 9.808 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 18.423 -4.668 26.008 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 2.936 4.189 -1.632 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 13.381 -4.110 9.540 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 -10.430 -7.928 11.789 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 -3.831 -2.048 0.110 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 9.323 -1.973 -2.872 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 0.290 1.069 3.592 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 0.539 -0.923 -0.103 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 1.087 11.709 6.106 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -3.565 -17.627 -1.429 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 3.312 0.349 3.767 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 -29.513 -3.385 8.401 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 11.377 -8.518 -5.516 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 2.294 -0.153 -1.187 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 3.065 -1.353 -0.955 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 17.027 17.871 -12.731 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 -0.056 -2.944 5.828 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 15.282 8.674 -20.547 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 3.599 18.965 20.057 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 -0.545 -5.341 -1.715 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 -19.757 3.079 2.855 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 -6.821 1.803 -8.354 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 -8.792 -0.824 0.657 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 -17.439 -5.297 17.980 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 2.664 10.522 -21.946 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 0.572 2.409 -2.853 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 13.122 -3.785 15.904 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 -4.034 17.465 9.414 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 -1.899 2.330 -0.094 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 -17.506 3.227 9.023 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 3.533 15.885 19.624 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 2.005 2.432 -5.093 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 -5.284 6.099 8.083 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 15.562 6.250 3.375 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 1.148 -0.751 0.194 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 -6.541 7.149 12.206 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 -12.048 -6.830 -10.636 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 -0.629 2.773 0.199 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 -28.550 19.978 -14.673 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 22.462 -15.198 10.191 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 0.235 1.836 3.346 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 -2.410 5.305 14.485 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 0.782 4.215 -4.581 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 -0.019 -2.003 -3.795 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 -4.843 22.631 -17.318 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 -4.199 21.179 0.251 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 -4.281 3.244 5.940 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 23.500 -4.403 -12.355 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 -0.776 19.185 14.904 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 -4.552 -4.594 -0.971 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 3.026 -0.239 0.402 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 4.868 14.349 8.440 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 -9.112 2.488 4.947 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 17.196 -19.673 -2.539 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 -18.669 15.953 5.413 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 2.914 3.192 2.585 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 -13.157 7.834 -7.041 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 -5.143 11.255 -5.294 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 -9.210 4.693 5.365 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 19.625 -0.295 13.006 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 -9.794 15.151 -22.434 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 -0.630 -1.968 4.422 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 -3.501 6.342 -5.810 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 -16.143 13.885 -23.920 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 -2.596 2.717 -5.974 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 14.908 2.976 2.832 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 -3.929 3.586 -4.484 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -1.691 -1.473 2.264 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 2.312 -4.982 -1.525 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 -0.400 4.785 -12.432 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 -3.253 0.798 -5.858 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 -7.544 -16.522 25.969 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 3.588 8.547 4.406 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 2.337 9.401 -0.158 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 3.480 5.444 5.609 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 2.326 16.968 -8.108 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 5.575 -2.500 0.379 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 9.058 -15.123 -11.412 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 2.103 -27.944 7.747 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 -1.936 3.474 -0.792 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 1.864 -11.996 -3.043 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 3.818 -22.340 -5.686 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 -3.294 -4.478 0.161 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 -8.009 -1.988 6.819 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 -4.276 -9.729 0.503 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 0.606 2.372 -0.283 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 -0.128 6.048 1.040 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 -4.594 3.917 0.569 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 -4.841 -4.974 -8.885 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 -11.788 -3.569 -15.265 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 -33.024 -1.140 10.725 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 1.068 -9.048 1.155 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 16.449 -0.342 0.147 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 -19.611 -23.680 12.876 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 7.788 -3.325 -2.447 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 24.765 0.162 25.096 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 -18.325 5.405 -1.922 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 1.447 0.736 -4.450 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 9.116 4.771 4.893 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 -10.630 -10.664 8.335 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 3.054 10.457 5.389 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 -3.146 -17.440 7.375 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 14.965 19.737 13.153 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 0.394 3.878 0.653 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 -3.328 22.775 9.668 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 12.155 -3.043 -11.197 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 3.789 1.426 1.040 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 5.335 24.620 2.009 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 0.898 11.493 -6.505 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 -0.015 0.737 0.671 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 12.463 -14.186 -7.563 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 16.566 19.522 -1.049 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 -2.848 6.049 -10.005 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 16.086 -5.136 6.816 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 -13.311 -10.589 -21.862 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 1.536 -2.221 -2.598 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 0.915 10.794 -21.215 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 2.651 -26.006 30.910 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 -7.536 2.970 -0.950 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 -16.648 17.040 -20.209 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 3.224 -15.703 20.293 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 -13.232 -2.534 -4.968 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 -15.796 8.952 -10.918 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 -6.740 -9.065 1.464 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 4.855 -0.082 8.897 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 10.560 -2.409 -10.775 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 -16.491 7.703 -17.278 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 -0.992 -1.553 -3.157 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 -1.183 -2.286 -3.285 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 5.219 1.275 1.170 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 2.383 1.973 -5.514 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 -8.820 -8.135 -3.111 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 13.853 17.665 -0.091 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 0.958 -3.244 1.973 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 1.623 -13.153 3.874 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 8.522 0.743 6.958 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 5.597 -2.559 -1.013 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 13.638 -6.530 -6.064 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 -0.924 -2.330 -8.773 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 -2.353 4.820 -2.078 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 1.754 -3.632 3.588 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 -17.553 -5.147 -1.128 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 -1.235 -4.347 5.421 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 0.157 -0.702 10.429 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 -6.284 -8.400 7.994 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 -4.534 0.559 -5.106 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 -12.584 -10.333 3.384 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 15.162 -24.594 6.340 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 -4.175 -2.255 2.817 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 0.712 -15.592 -1.832 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 3.306 -20.944 -4.411 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 -4.102 3.777 2.007 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 -10.732 -11.786 -7.285 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 4.140 7.516 -1.664 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 -1.337 2.338 -1.463 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 -5.397 0.670 -2.449 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 3.941 8.255 -7.049 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 4.185 -6.763 8.342 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 22.068 14.027 -19.301 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 3.030 -17.126 13.570 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 -0.781 1.093 8.669 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 -3.643 -7.682 2.856 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 9.896 8.474 5.647 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 1.680 -1.183 3.690 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 -5.035 10.563 16.524 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 -11.604 6.292 -10.968 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 8.376 3.579 3.312 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 11.954 -1.057 -8.437 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 9.354 -12.215 -2.820 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 3.267 3.856 -4.606 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 26.412 -17.288 -4.198 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 3.850 -9.178 9.955 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 3.549 -3.550 5.401 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 16.039 -33.756 2.572 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 2.946 -2.336 -23.394 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 -0.235 4.852 -4.072 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 3.730 7.682 -5.407 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 3.015 -3.500 6.432 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 -3.757 -2.408 0.751 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 -3.003 4.718 1.130 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 -9.010 -6.621 -7.079 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 -1.132 -3.012 -0.861 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 3.805 -11.112 -3.457 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 -8.289 -5.795 3.155 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 5.001 -2.772 2.249 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 1.106 -11.868 -7.360 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 15.674 -8.040 0.027 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 0.089 -1.804 -4.070 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 13.214 24.042 2.500 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 -12.074 9.281 -2.961 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 3.519 -1.405 -1.995 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 -16.505 -0.806 -16.688 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 0.427 15.355 -1.109 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 0.551 6.421 -2.157 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 0.841 27.084 4.362 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 -3.127 -20.521 1.111 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 -6.506 3.333 -3.030 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 -10.198 -8.671 -29.318 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 -3.665 8.616 11.384 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 -2.527 -1.098 1.274 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 30.006 -5.653 -1.496 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 24.098 4.326 1.786 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 -2.393 5.091 -0.864 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 -3.994 1.076 0.652 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 -2.618 6.718 -8.704 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 1.902 2.978 -5.282 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 1.147 -24.991 -5.276 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 32.276 13.381 10.589 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 3.045 5.007 -6.483 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 22.999 4.695 -22.111 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 0.060 9.253 -1.649 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 2.520 -3.261 4.415 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 6.668 -13.801 -2.296 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 -8.242 -33.045 14.357 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 2.787 4.938 -1.584 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 12.717 -0.044 -9.685 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 -4.261 1.008 4.627 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 -4.687 -0.439 -3.081 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 -14.870 7.492 8.516 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 -16.848 0.876 4.751 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 -0.604 -2.611 -6.846 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 18.739 5.268 -6.449 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 -5.617 -11.826 -17.583 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 -1.053 -7.565 1.188 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 -50.760 -16.474 11.835 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 23.161 -7.048 -10.081 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 3.704 0.074 2.207 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 -19.119 3.753 14.124 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 -0.743 0.890 -22.428 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 -5.570 7.332 1.996 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 -10.102 5.559 22.120 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 -0.867 4.783 11.570 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 2.210 -6.788 -3.528 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 -8.561 19.780 -10.933 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 -18.979 -20.671 6.423 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 -3.116 2.162 -7.600 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 -32.714 7.792 -12.213 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 -1.689 -7.671 -3.900 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 2.686 10.033 -1.696 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 10.352 -9.895 -11.664 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 -5.274 12.666 -2.393 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 -2.339 0.811 -3.137 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 -7.973 -9.824 26.449 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 10.939 14.033 -16.119 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 -0.814 -2.940 1.836 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 -1.743 -18.396 3.152 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 -13.777 0.473 -6.865 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 -4.276 -3.007 6.842 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 -3.024 -10.900 -17.357 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 -20.856 30.060 6.367 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 3.270 -3.356 -2.821 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 4.186 -6.614 -2.137 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 -6.711 1.917 3.305 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 -5.023 1.152 -3.330 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 -10.224 -1.920 9.368 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 -34.024 -2.233 6.627 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 -3.553 -1.258 3.596 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 10.600 -11.241 1.556 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 -2.813 1.109 12.561 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 4.434 -0.004 -1.377 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 21.088 -12.172 -23.583 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 21.711 22.123 14.251 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 -4.428 -3.229 1.268 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 -4.279 -4.188 -6.372 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 -8.655 -2.341 0.090 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 -0.141 5.662 5.214 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 -18.955 -22.998 3.978 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 -14.692 -9.375 19.386 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 -0.053 -7.155 3.207 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 6.460 -9.717 5.223 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 -2.196 -12.039 9.261 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 0.591 -1.473 -5.898 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 9.639 4.800 -16.014 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 9.411 -9.872 6.012 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 -1.010 8.240 3.584 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 -8.601 0.094 7.090 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 -26.730 7.623 -7.427 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 3.173 -1.027 6.310 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 -19.770 8.195 -4.544 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 -36.510 -27.387 -4.169 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 -1.415 -3.343 -0.109 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 13.488 12.176 -9.475 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 -2.328 -1.404 12.670 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 3.169 7.340 -3.734 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 13.503 -1.177 -19.710 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 2.701 -26.986 5.428 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 0.133 -1.951 -0.650 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 -0.664 14.168 -23.330 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 3.877 -3.451 -14.560 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 -2.049 -2.110 -10.576 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 -3.054 4.759 -1.752 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 -3.675 -12.776 -7.885 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 -2.192 -0.007 -2.750 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 -8.209 4.175 23.878 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 -10.655 -1.254 7.766 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 -4.903 4.025 1.529 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 -4.347 16.511 -3.431 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 4.558 -21.129 17.253 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 -2.161 5.935 4.300 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 22.440 23.255 50.316 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 4.456 -20.113 -6.755 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 -4.909 4.534 -7.021 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 -4.021 12.459 2.892 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 -20.841 -3.889 -15.967 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 7.703 -2.740 -7.636 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 17.687 0.217 -6.473 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 15.317 4.658 -15.392 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 1.355 1.679 3.841 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 -11.217 -11.325 -11.134 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 8.387 5.594 -22.205 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 5.608 2.718 1.121 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 15.516 1.068 -1.096 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 10.593 2.129 0.536 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 0.080 0.205 4.923 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 -7.662 -7.966 -6.661 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 7.998 -13.364 9.495 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 -4.931 -7.583 1.535 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 -0.909 -14.634 -2.248 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 10.345 -11.319 17.752 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 -5.569 2.288 0.677 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 -2.347 24.716 -12.664 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 -22.859 0.665 5.891 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 3.522 -8.349 1.338 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 2.882 -6.125 3.599 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 4.683 -7.944 -0.039 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 1.168 5.049 6.653 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 -8.261 12.343 6.934 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 0.391 1.611 -6.423 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 -1.323 0.362 -4.275 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 14.725 2.779 -5.300 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 -10.733 -4.673 17.991 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 -0.628 3.199 2.823 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 -11.804 -3.392 12.802 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 -1.568 7.322 16.603 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 -1.407 6.525 -5.467 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 1.069 23.842 15.567 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 -19.996 -10.564 6.837 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 2.046 -5.668 5.480 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 -8.675 10.867 5.416 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 16.472 -5.465 5.402 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 -2.246 4.847 0.375 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 30.331 24.509 -9.698 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 -17.288 13.600 9.878 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 -2.976 -2.597 -1.640 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 4.471 4.988 11.595 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 25.831 -9.468 18.551 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 5.730 -7.805 -2.769 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 4.386 20.359 1.769 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 -22.168 6.536 12.797 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 6.413 5.121 2.267 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 3.249 -0.391 -12.508 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 -1.783 -2.016 -0.697 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 -2.301 -1.831 7.803 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 -1.920 0.211 7.147 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 6.767 8.199 4.235 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 4.873 9.120 -0.310 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 -4.494 37.785 -20.114 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 16.129 -2.854 3.642 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 -6.831 1.446 0.217 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 -10.659 -3.547 4.640 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 -15.467 -4.493 -3.066 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 1.913 3.109 -6.099 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 1.426 16.634 15.002 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 26.811 -6.032 -7.987 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 -3.590 1.400 -5.000 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 15.213 -13.161 -3.779 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 -2.865 6.503 -39.459 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 1.083 3.419 6.259 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 3.037 -16.573 6.125 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 -2.958 9.795 28.911 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 -2.547 3.548 -5.717 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 -6.954 1.704 -11.032 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 -21.427 -3.978 -17.784 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 3.289 -0.071 -1.096 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 -5.017 -8.372 2.201 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 12.249 4.087 10.130 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 3.598 0.800 1.582 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 -8.965 -15.717 -5.995 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 17.353 10.057 -12.693 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 4.341 -3.636 7.836 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 7.478 -10.559 1.301 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 -4.932 7.799 -8.156 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 -4.798 7.820 -1.504 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 -3.199 -12.646 -18.836 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 -6.322 12.354 0.281 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 -2.982 -5.440 -3.052 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 -7.370 9.977 -17.026 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 15.668 13.766 17.299 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 -0.511 1.625 0.690 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 19.465 18.851 24.759 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 2.472 18.468 23.541 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 3.420 -1.689 4.062 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 0.751 14.646 17.046 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 -0.877 -14.344 13.842 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 4.082 1.877 4.844 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 0.384 2.748 1.873 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 0.393 2.636 -3.818 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 -2.699 3.669 0.026 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 -12.188 -4.057 -4.147 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 -1.527 12.835 -9.604 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 -2.559 0.512 -6.149 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 -5.270 -19.023 16.057 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 7.659 -9.722 2.616 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 2.452 7.818 -3.088 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 -29.555 22.341 -5.421 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 14.550 -16.891 4.786 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 2.007 1.689 -3.572 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 -3.330 -4.084 0.768 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 -3.497 -13.691 11.001 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 -3.468 -4.078 2.469 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 -0.147 11.320 -3.727 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 -17.739 -3.133 3.833 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 -4.363 0.671 3.683 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 -0.307 1.014 4.879 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 3.799 11.876 0.308 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 3.353 -3.061 4.942 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 -3.711 -16.477 -15.742 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 -6.741 -7.376 12.947 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 -2.910 6.253 2.413 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 3.509 -4.678 9.041 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 -12.401 -3.798 -6.258 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 -3.695 1.068 -6.933 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 -41.910 17.548 -0.644 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 8.210 -24.052 -11.060 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 -1.470 5.958 6.024 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 -11.068 8.660 -8.722 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 10.209 6.054 25.346 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 -1.014 -0.904 -1.265 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 -1.827 -2.533 -7.642 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 1.979 -22.489 19.526 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 -1.233 -4.277 7.413 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 -6.992 8.654 15.506 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 5.511 -20.291 2.042 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 6.571 7.813 -4.352 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 6.395 -4.157 4.748 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 14.585 2.580 -5.889 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 -3.760 6.470 -7.421 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 -1.441 -7.188 -1.872 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 -16.444 8.615 -2.525 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 -2.859 3.352 0.098 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 -15.176 2.508 -11.602 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 5.397 4.215 8.396 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 0.535 6.323 -5.010 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 12.021 -7.359 -3.619 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 24.291 4.274 -5.962 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 2.107 2.772 -3.453 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 11.123 -15.875 -12.356 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 15.936 13.206 -1.716 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 -1.614 -1.606 -1.539 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 -5.587 17.722 1.915 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 -6.097 9.377 -9.974 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 -0.564 -2.136 4.779 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 4.866 -1.937 12.094 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 -14.117 -10.131 -4.818 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 5.107 4.030 -4.608 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 5.170 16.752 0.683 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 6.627 -4.833 6.264 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 -1.110 -0.341 -5.329 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 14.125 17.195 -8.767 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 -22.239 9.238 -11.896 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 0.371 4.092 1.910 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 20.816 30.874 -3.864 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 19.216 18.459 9.272 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 0.284 -2.901 1.397 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 16.248 -4.367 -3.742 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 -4.211 -21.273 16.867 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 -2.338 0.799 2.266 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 -7.211 -0.012 5.431 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 -4.368 0.039 -2.868 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 1.457 -5.847 -9.874 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 14.005 -13.570 13.802 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 -1.926 -14.482 22.888 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 4.376 -0.613 2.098 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 -2.291 6.140 -5.940 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 -8.324 5.744 16.879 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 3.320 -0.602 -3.696 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 14.338 3.508 14.681 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 -0.860 11.917 -9.486 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 -7.573 0.451 2.813 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 10.294 8.926 7.408 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 -8.084 -2.532 0.221 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 -5.677 -5.033 -0.347 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 -11.710 -1.548 -10.386 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 -15.257 -0.961 -15.416 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 0.095 5.412 2.170 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 -1.842 -4.503 4.528 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 -10.637 10.069 1.200 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 0.784 2.130 1.413 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 11.621 1.476 -7.159 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 -7.085 10.196 -5.102 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 -1.022 -2.247 -8.909 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 -3.464 -13.065 -6.625 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 -6.975 -5.805 2.045 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 6.806 -4.358 11.238 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 -3.858 -1.819 -5.386 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 -7.302 -18.087 -11.583 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 2.362 0.629 2.337 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 -14.579 -6.892 3.443 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 5.275 -2.062 -4.976 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 -2.831 0.372 0.461 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 -3.703 2.754 2.352 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 -9.932 -4.329 -7.464 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 1.113 -2.108 -1.604 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 -9.541 16.103 -13.828 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 11.008 -14.808 0.013 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 -12.536 3.694 1.411 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 -12.472 3.368 5.504 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 -12.671 14.880 4.399 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 5.234 -4.121 3.877 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 12.786 7.975 4.318 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 -1.266 -9.474 -11.162 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 0.435 1.335 -1.435 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 -4.505 4.390 -3.054 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 13.794 17.433 7.801 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 2.781 0.986 2.190 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 1.681 -2.944 -6.348 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 -0.494 -8.625 -19.606 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 -2.746 1.698 -0.151 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 -5.202 -1.957 -2.491 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 -1.320 4.116 4.874 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 -3.168 -7.694 2.931 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 9.830 -5.647 -0.149 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 -3.865 -13.441 8.159 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 -1.747 -0.728 1.028 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 2.969 -8.518 -2.844 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 -7.249 16.850 4.158 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 2.239 -1.905 1.175 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 9.429 -11.426 -12.282 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 -5.264 14.640 6.486 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 3.134 -2.719 -5.493 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 0.692 -4.605 -5.531 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 -0.967 -0.968 0.548 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 -3.464 0.968 0.084 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 6.991 0.024 -8.887 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 2.466 19.164 -1.798 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 0.558 1.764 1.606 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 0.266 -1.013 0.359 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 -29.571 9.070 7.063 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 -3.279 1.910 -5.843 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 -0.518 -1.349 2.817 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 2.899 -2.508 14.402 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 1.230 0.982 -0.964 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 2.306 -2.750 -10.991 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 4.449 -6.826 6.315 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 -1.819 -5.440 -0.649 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 -4.304 8.340 19.799 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 -18.755 -11.655 -11.132 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 1.290 0.512 0.502 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 -6.490 0.210 12.857 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 -17.305 -11.018 27.679 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 -1.240 -6.005 -0.933 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 9.786 -18.697 2.085 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 3.893 14.386 13.858 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 5.840 -0.574 -9.450 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 12.781 -15.490 -4.505 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 13.026 -0.814 -8.399 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 3.308 -0.715 0.257 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 -2.784 -5.731 -14.154 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 8.909 -0.251 -8.706 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 3.586 -2.121 1.978 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 21.010 6.256 1.984 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 0.492 -14.019 -15.463 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 -1.961 3.101 3.201 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 -12.717 -0.040 19.961 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 11.695 11.424 3.985 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 -0.905 3.225 -1.358 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 -13.469 18.475 3.846 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 13.191 -14.969 -6.700 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 3.749 -4.331 -2.226 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 17.162 2.961 -1.198 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 -25.436 -16.771 6.968 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 -1.699 3.432 8.321 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 -7.671 4.261 -10.614 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 -10.438 4.200 -20.027 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 -3.073 1.039 2.385 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -8.249 -0.563 12.121 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 -1.401 3.145 9.993 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 3.107 2.535 -3.179 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 6.653 24.062 4.936 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 7.017 -27.644 -16.248 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 8.782 -6.461 -2.086 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 6.485 -2.428 -10.309 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 11.871 -8.046 -1.127 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 3.287 -1.907 3.835 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 36.715 -1.385 7.614 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 -23.309 -1.029 2.453 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 -4.399 2.719 4.371 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 0.129 2.408 -6.636 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 -13.144 -0.521 3.055 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 3.610 3.396 -4.120 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 -3.494 18.437 6.741 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 6.391 3.817 -3.511 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 -1.490 2.804 -4.212 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 3.528 -2.653 7.103 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 14.925 12.144 -11.191 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 4.363 -6.799 -0.506 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 -18.922 -18.004 -2.061 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 11.636 -2.794 28.289 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 -0.817 -2.153 1.460 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 -2.468 -21.032 4.578 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -9.268 8.362 1.615 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 3.370 7.785 8.271 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 13.019 20.519 13.759 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 -14.414 -20.056 -2.401 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 -0.821 0.626 2.299 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 8.863 5.119 1.390 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 -2.711 -3.559 5.308 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 2.265 1.697 5.003 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 16.962 0.722 14.709 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 2.837 1.060 7.415 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 4.863 0.104 -2.602 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 11.439 0.782 7.239 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 7.179 4.925 -9.650 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 0.796 3.815 -1.165 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 -3.237 -4.486 11.274 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 1.737 -9.352 -7.518 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 3.823 -2.587 -1.840 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 9.245 3.747 13.461 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 7.092 7.881 -4.447 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 5.760 -0.547 -4.501 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 10.150 -11.521 -4.566 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 8.282 -14.812 7.205 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 2.575 -0.921 -1.889 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 3.452 -6.010 -0.802 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 3.601 -3.243 -1.476 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 -4.888 -2.114 -3.696 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 -6.994 7.922 -18.766 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 1.610 -10.176 9.678 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 8.914 1.913 -0.763 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 -30.119 -21.524 5.637 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 1.524 13.833 10.473 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 -7.313 -6.420 -1.564 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 -7.171 -7.870 -3.463 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 -7.373 -24.860 -11.935 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 -2.685 -0.373 0.745 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 -19.495 -4.544 -0.723 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 -3.526 3.816 -2.831 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 -5.453 -3.503 -1.976 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 -0.565 2.043 -8.756 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 4.296 -7.896 0.612 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 -6.972 -2.982 -1.180 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 -34.069 -18.905 -0.456 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 -29.555 -6.694 -4.164 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 2.530 2.441 -2.884 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 0.799 -8.197 5.213 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 1.134 2.441 -4.464 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 -5.003 2.181 1.081 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 -17.509 -16.927 15.028 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 4.142 18.558 19.178 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 1.713 2.280 -1.537 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 11.795 22.269 0.281 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 -3.314 -9.339 -3.465 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 1.806 -3.689 0.684 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 21.377 14.976 22.318 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 6.137 -8.353 0.202 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 2.239 0.050 -0.349 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 5.034 -12.021 8.977 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 4.278 32.291 -6.444 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 -2.684 -0.966 3.410 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 6.029 17.195 -23.226 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 1.806 5.236 -4.490 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 -0.838 -2.020 -2.908 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 8.645 -3.182 -33.076 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 23.790 -21.436 15.691 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 -2.391 7.389 7.674 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 -2.006 6.429 7.960 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 -4.912 9.094 2.223 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 4.779 0.911 3.317 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 4.232 -0.543 -18.440 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 18.449 -18.781 6.030 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 1.356 1.920 -4.180 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 1.227 -24.524 -11.338 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 1.303 -12.673 -4.509 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 2.625 1.127 -5.886 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 7.608 -15.652 -8.354 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 19.971 -11.556 18.669 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 -5.149 3.712 6.725 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 9.626 3.439 5.072 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 -14.446 2.030 7.351 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 -1.451 -0.163 2.693 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 -2.368 -15.868 11.199 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 25.694 14.499 10.693 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 -2.868 -4.340 -4.898 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 0.419 -5.240 -6.302 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 8.088 -9.849 -5.611 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 -3.025 0.032 -2.687 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 7.581 8.278 0.310 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 -3.841 0.694 -2.530 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 7.649 -0.263 4.751 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 8.343 10.425 1.682 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 -2.142 -11.402 -0.345 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 -3.998 5.075 0.202 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -7.463 -6.227 1.454 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 0.291 -0.749 -3.541 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 3.606 -1.653 -0.913 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 1.866 -15.701 -25.338 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 14.777 15.043 -8.578 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 -12.461 4.406 6.673 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 -9.978 10.757 3.164 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 -20.317 -25.879 -5.589 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 1.370 -2.518 7.454 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 15.579 -3.035 -10.335 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 -7.255 -6.941 7.270 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 6.473 -0.766 1.256 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 14.956 -19.887 17.255 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 1.738 -2.887 -14.935 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 1.431 -2.996 0.321 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 -28.003 -27.935 1.137 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 -11.765 0.293 -0.662 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 -1.895 -2.070 3.327 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 -1.870 -12.330 -8.494 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 -1.470 11.561 -4.853 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 2.986 0.295 3.705 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 9.998 6.968 11.488 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 11.257 3.041 -13.337 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 0.920 -9.100 -1.148 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 -3.594 -17.601 -0.083 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 1.254 -6.508 -12.789 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 -9.121 -4.366 1.002 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 -10.399 -0.155 10.696 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 -4.495 4.248 -0.353 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 2.809 4.419 0.436 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 11.700 -6.621 -15.450 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 1.462 -10.141 5.440 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 -5.957 -0.514 -1.475 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 -3.611 1.422 -6.887 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 -6.652 -1.289 19.722 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 0.826 -1.999 -3.301 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 15.643 -13.475 11.048 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 5.883 1.996 20.381 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 -1.012 -0.747 -8.217 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 2.073 17.536 -11.266 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 0.788 11.129 -14.878 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 0.462 -1.767 0.256 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 -6.584 -6.596 10.401 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 0.415 0.195 0.142 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 -1.170 2.456 0.375 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 14.938 8.539 -12.276 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 -6.849 14.272 7.298 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 -0.976 -12.677 -1.838 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 -16.597 -10.462 -12.944 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 17.050 -18.339 9.883 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 -4.452 0.622 0.779 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 -21.798 -27.303 5.561 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 17.434 -1.265 -7.586 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 -4.929 -1.364 3.376 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 -2.996 3.468 7.763 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 -9.258 -11.633 -4.567 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 -2.107 7.749 3.458 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 -2.979 -0.362 3.600 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 6.912 -11.202 12.480 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 4.142 -4.489 -1.927 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 5.615 -0.579 -11.440 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 7.916 6.664 -28.534 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 0.251 2.544 1.943 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 -3.446 3.522 -23.926 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 -15.818 -17.602 11.049 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 1.038 7.594 -4.994 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 -3.357 -0.753 -7.488 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 -3.487 -22.246 -12.943 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 -5.123 -2.543 1.006 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 -6.656 4.569 -5.852 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 -6.411 1.635 -1.351 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 -6.078 7.497 -0.207 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 3.979 15.550 9.224 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 -7.140 -4.232 -1.758 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 -6.245 1.219 -3.309 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 14.970 5.167 -23.347 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 4.644 -4.901 2.655 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 3.328 6.077 -1.302 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 -9.949 13.507 6.303 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 -19.520 10.526 -19.443 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 9.265 -2.460 2.679 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 15.656 8.017 -6.297 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 14.727 6.601 -10.345 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 -4.813 -0.202 -3.780 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 -0.699 7.710 -4.139 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 -8.073 -15.571 -3.303 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 -3.600 5.317 8.600 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 7.834 3.850 8.143 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 12.657 13.416 9.524 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 -2.991 0.387 -1.866 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 -6.661 7.053 11.199 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 1.446 -8.601 -17.287 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 2.730 -2.570 -5.420 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 2.473 -5.157 -3.162 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 0.317 -5.375 -3.873 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 5.550 -2.790 2.314 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 -4.042 -6.442 16.781 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 0.340 -7.911 -4.714 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 0.542 0.206 -0.728 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 13.244 4.389 -5.649 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 -3.214 -7.037 -20.802 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 -0.953 -0.543 2.132 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 -4.498 -1.592 -0.244 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 13.899 -7.152 -1.839 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 -0.293 -4.543 1.240 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 -23.496 -4.952 -3.046 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 28.855 13.443 1.453 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 6.844 3.843 4.849 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 -7.643 -12.613 4.114 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -26.711 -12.134 -9.487 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 -2.820 -3.061 -6.301 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 -4.152 -5.103 24.260 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 -2.119 16.891 0.024 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 6.223 -0.022 -1.856 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 -7.833 -4.169 7.045 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 14.267 -14.368 -4.163 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 2.346 -3.994 -1.082 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 9.309 -5.815 -2.620 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 4.633 -8.956 -2.260 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 0.122 2.874 0.642 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 -6.614 6.846 -21.083 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 -4.511 7.626 -32.405 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 -3.291 2.413 0.297 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 9.767 5.059 3.072 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 -7.198 -8.501 -11.700 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 2.846 -6.524 -2.419 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 18.247 -3.030 0.907 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 -7.050 5.473 -11.866 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 0.950 -1.178 -1.018 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 18.532 -4.585 -14.137 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 -7.849 3.546 18.288 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 -6.168 -4.889 -2.827 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 -7.513 -8.632 -15.254 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 -3.938 -5.624 -6.341 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 0.683 -3.805 2.495 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 0.888 -4.008 2.716 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 8.383 5.546 6.639 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 1.491 -4.392 3.436 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 -12.201 -6.753 -5.008 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 -25.269 -15.242 4.304 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 2.775 2.153 -7.762 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 3.646 17.728 -7.614 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 4.913 7.323 -6.112 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 -1.146 0.582 -7.487 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 -7.229 0.208 -25.294 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 8.618 19.167 5.559 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 -5.611 -4.205 -2.246 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 12.777 2.854 3.391 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 -7.703 1.736 21.301 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 -4.571 -0.431 -0.226 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 9.805 -1.805 0.497 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 5.719 0.121 1.224 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 1.750 -0.945 -2.168 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 5.456 19.227 -6.200 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 -12.305 -4.360 9.418 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 -8.068 4.527 0.947 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 -7.393 -0.501 -2.753 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 -9.555 10.291 7.558 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 -8.137 -13.875 -2.012 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 -12.309 -3.935 2.903 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 -2.951 -20.647 -6.314 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 -4.047 1.325 -0.767 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 0.201 -6.226 -12.091 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 6.613 10.780 2.169 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 -4.214 0.254 1.194 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 -10.914 3.487 -6.268 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 -2.661 8.638 2.889 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 -2.276 -3.648 4.475 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 -8.083 -3.568 -6.918 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 -17.374 -8.590 12.339 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 3.705 -2.924 1.710 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 -6.140 14.499 2.959 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 -8.636 -6.542 -15.694 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 -3.283 3.852 -0.035 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 4.732 4.646 15.632 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 -5.869 2.340 -0.465 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 8.972 1.247 -3.833 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 -9.840 -9.949 15.391 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 -7.011 -15.815 5.390 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 7.637 -6.502 2.911 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 9.860 7.139 -3.320 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 19.461 -32.415 10.008 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 5.218 -2.451 -3.256 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 12.707 10.024 -5.104 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 -6.085 -3.155 15.937 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 2.236 0.370 -0.157 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 -12.878 -20.832 3.423 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 -1.491 -7.116 0.789 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 7.020 -3.316 -7.531 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 3.018 -11.042 -6.250 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 13.550 0.398 -8.988 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 -8.463 -7.774 3.818 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 -2.232 5.663 13.488 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 -16.206 4.235 18.650 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 -0.845 -6.990 0.129 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 -16.098 3.726 14.718 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 3.551 -4.995 4.961 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 8.724 0.935 6.165 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 9.355 3.861 -10.694 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 19.781 -6.962 10.751 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 -1.927 9.999 0.623 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 15.846 18.608 -12.290 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 -12.193 5.337 -11.534 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 -1.448 5.321 1.190 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 -1.438 5.999 0.356 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 -15.802 11.258 -1.114 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 0.734 8.404 4.425 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 14.276 -7.140 5.596 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 -8.859 -6.783 9.729 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 -7.725 5.043 -2.514 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 -7.578 3.914 -3.720 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 14.052 -3.216 -14.807 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 1.980 -0.937 3.880 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 -12.661 12.531 6.337 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 21.141 -0.376 -0.102 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 0.697 1.766 1.070 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 7.514 -10.795 3.478 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 8.916 1.211 4.737 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 3.122 1.322 -0.080 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 -0.512 9.865 10.654 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 -6.216 -7.606 18.631 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 -1.617 -5.915 -0.939 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 5.412 0.241 5.750 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 -8.914 -3.732 5.783 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 -4.898 -2.956 -0.163 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 -1.953 11.684 -14.299 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 11.644 1.167 11.569 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 1.392 -4.900 2.099 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 -14.575 -2.234 -34.333 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 25.889 -3.724 3.754 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 0.546 4.743 -6.087 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 7.873 -0.360 -19.092 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 1.890 4.720 -7.523 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 3.591 -0.310 5.405 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 -10.924 -13.047 -0.730 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 11.033 16.974 -11.349 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 -1.415 -1.075 0.319 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 -1.957 18.862 -4.802 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 1.575 20.251 1.330 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 0.367 1.707 -0.026 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 8.708 -2.382 -4.803 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 -7.252 8.505 14.054 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 -6.613 -2.626 -0.458 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 -5.326 -8.089 -9.747 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 -13.232 1.485 21.933 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 3.336 -2.537 -0.692 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 -0.137 -19.056 11.740 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 8.673 -32.360 10.295 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 0.578 -1.050 -1.664 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 -0.176 -0.288 1.797 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 4.095 -0.444 -19.353 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 -0.876 3.349 -1.386 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 0.948 6.733 -0.271 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 -8.950 -3.178 -20.220 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 4.648 -3.240 -0.778 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 9.459 16.661 28.113 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 5.252 -25.772 -5.060 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 5.947 -3.381 4.519 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 17.337 19.311 10.586 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 4.001 -8.624 14.121 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 6.206 -1.520 0.717 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 10.275 13.587 4.988 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 1.174 -6.599 -8.721 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 -1.828 -6.263 0.325 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 -17.927 -6.058 13.623 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 -7.166 -27.156 -7.853 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 2.841 1.492 -2.549 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 3.948 1.212 -9.846 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 4.558 -2.920 -9.555 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 5.147 -0.750 4.927 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 -15.817 4.687 12.807 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 1.553 -16.092 -12.537 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 0.186 0.988 3.352 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 20.764 -17.077 4.020 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 -8.970 14.800 4.828 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 1.747 2.196 2.056 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 7.364 -5.085 -5.912 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 -0.571 2.909 9.673 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 -2.613 -6.750 -1.648 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 23.245 17.029 -10.011 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 -18.672 -12.827 -22.578 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 -5.462 2.029 5.332 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 4.510 0.876 -11.189 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 -6.788 -4.605 3.839 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 -1.685 0.538 -0.244 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 -1.858 -1.500 10.200 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 16.838 -6.804 17.852 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 2.360 1.568 -3.272 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 25.509 18.658 22.673 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 -20.666 -5.347 -15.115 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 -2.225 -2.622 -2.754 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 8.071 0.398 -17.514 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 2.028 8.861 19.523 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 1.568 -0.034 -5.822 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 -11.247 1.916 -4.156 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 10.359 4.175 8.663 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 1.082 0.483 -3.101 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 -11.313 6.174 -3.452 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 -7.293 7.924 -3.569 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 5.436 1.536 -0.052 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 -8.894 14.214 24.598 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 -1.537 15.422 12.626 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 -6.085 -3.260 -5.833 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 2.335 -18.730 6.684 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 -3.265 -7.607 -1.807 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 -2.910 -1.072 -4.001 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 0.741 -7.359 2.089 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 0.244 7.427 -12.255 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 2.906 5.664 -4.278 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 -15.241 5.365 1.643 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 4.262 16.583 -11.165 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 2.604 1.125 4.688 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 -28.160 33.045 9.976 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 -1.866 4.013 4.241 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 -4.860 -6.669 -0.247 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 6.226 -5.537 -2.244 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 -7.515 7.268 -0.514 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 5.033 -3.354 5.036 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 4.166 13.545 4.357 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 -13.777 15.569 19.320 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 -1.867 1.291 -3.508 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 -1.629 3.457 -14.976 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 -8.015 -1.521 15.094 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 1.614 -2.935 5.812 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 -2.979 7.398 3.192 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 -2.916 -2.354 5.021 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 -2.235 2.817 2.953 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 10.997 -13.524 2.402 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 -19.792 14.701 6.748 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 -3.917 2.217 2.682 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -2.107 0.731 7.053 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 -2.809 -31.923 14.011 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 -1.790 4.971 -0.756 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 -15.872 5.331 -7.553 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 9.620 15.523 4.504 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 -2.187 2.052 2.439 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 -9.336 16.544 -16.662 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 -2.595 4.269 5.142 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -6.045 -3.315 -3.071 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 5.832 -12.026 -8.322 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 -11.356 5.985 3.680 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 4.006 -6.591 -5.680 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 6.285 -19.987 2.542 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 21.384 13.483 10.521 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 2.119 8.678 -2.165 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 -0.056 1.100 -6.344 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 -9.959 15.724 -6.105 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 -5.562 -1.762 -5.575 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 0.278 -5.945 8.334 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 -25.830 19.766 4.525 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 2.779 2.863 -5.271 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 9.806 -10.833 -4.067 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 2.910 -3.131 -21.458 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 5.140 -7.013 2.628 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 -14.938 19.430 41.746 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 6.285 2.240 0.856 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 -4.632 3.760 2.714 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 -1.807 -6.349 10.548 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 1.888 15.318 -0.145 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 4.477 2.971 -3.634 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 6.021 9.177 8.650 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 3.895 10.895 9.735 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 3.832 -4.368 -9.724 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 8.707 -0.282 -15.724 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 1.825 0.261 -0.845 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 -2.210 1.221 -2.137 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 0.203 -12.965 -10.924 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 -14.733 3.950 7.962 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 3.060 -11.107 -5.187 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 27.531 7.523 -5.013 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 -25.249 6.578 -12.011 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 -8.525 -4.290 4.352 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 -4.317 -1.464 6.905 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 -12.699 5.168 -6.200 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 2.814 2.459 -4.798 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 -17.999 7.969 0.339 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 11.097 0.560 -7.243 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 0.514 3.910 10.237 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 10.840 -19.902 -19.430 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 3.928 -1.686 5.799 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 9.651 -2.867 0.149 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 26.675 8.472 -11.585 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 11.338 6.770 -2.973 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 1.174 1.927 -3.261 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 -1.874 -0.880 -14.680 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 -5.336 1.975 3.832 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 0.991 5.030 -2.359 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 31.597 -9.919 -21.697 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 -2.864 -9.302 -1.099 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 3.036 2.431 2.889 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 -7.398 31.472 -10.022 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 7.060 -5.197 -1.574 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 0.172 8.724 -3.746 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 14.353 19.529 -1.795 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 -1.285 -5.611 -6.215 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 -1.208 -3.198 0.730 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 -7.374 -11.456 16.637 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 -7.982 2.023 7.744 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 -3.545 2.420 -3.902 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 -3.453 -9.887 16.922 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 -3.979 2.292 -11.087 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 6.587 -4.588 0.699 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 17.024 3.218 -10.230 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 12.562 -6.372 14.400 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 -2.562 0.646 -5.655 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 4.969 0.801 11.615 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 -1.769 -8.231 -9.972 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 5.362 3.612 2.008 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 8.023 12.085 -8.526 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 -23.859 30.719 -6.654 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 -6.630 -2.880 -4.131 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 13.777 -0.078 -6.990 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 3.347 -2.161 -5.099 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 1.444 1.752 5.451 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 -3.030 -2.802 8.030 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 5.842 2.527 11.001 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 0.603 -2.598 3.838 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 4.685 18.443 28.625 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 -20.245 -19.445 18.468 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 7.435 -0.143 -1.714 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 12.602 -16.240 -5.852 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 8.130 -22.124 -9.103 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 1.267 4.753 0.446 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 -3.818 -7.667 8.533 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 -4.185 18.686 8.102 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 3.169 3.994 -4.310 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 17.647 9.559 -7.109 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 -7.977 -0.732 -2.525 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 -3.386 -1.487 -1.590 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 9.037 -1.478 21.602 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 -2.785 4.806 -3.851 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 3.093 -4.391 -4.205 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 17.023 -15.516 -5.919 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 -6.733 2.477 9.247 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 5.430 -1.758 3.342 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 3.714 7.074 21.826 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 2.951 -12.595 -8.399 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 2.880 4.408 3.124 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 -0.986 -9.587 -0.232 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 1.362 2.517 2.273 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 8.116 4.349 0.118 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 7.704 -19.432 22.217 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 -14.075 1.670 -5.055 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 -1.882 1.125 -1.033 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 -1.643 0.020 -14.982 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 1.182 7.133 26.787 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 -1.772 1.735 -3.701 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 -12.598 3.986 -3.166 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 9.597 2.954 4.573 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 -1.464 -2.681 -1.273 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 -6.207 -17.305 25.369 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 -4.688 -11.430 -21.402 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 5.457 0.334 -4.716 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 0.043 2.320 -1.647 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 -10.235 4.711 -6.267 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 -5.397 0.124 3.653 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 -12.933 6.497 -1.001 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 0.617 -4.071 -5.013 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 5.215 0.447 0.364 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 12.312 0.765 -12.842 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 10.249 0.562 -12.448 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 -1.618 3.118 -4.161 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 -7.673 -16.881 5.313 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 -7.968 -1.088 -6.072 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 -1.605 -2.005 -2.555 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 -17.067 -1.994 10.197 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 5.514 -1.191 -17.134 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 6.595 8.388 1.888 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 12.538 2.569 -4.262 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 -0.730 22.822 3.982 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 2.102 -3.994 2.799 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 2.054 -6.602 20.185 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 -8.409 -7.701 11.810 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 -8.733 -1.096 -9.051 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 2.114 8.536 -9.519 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 -2.090 -13.980 3.215 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 3.777 -0.010 -9.932 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 12.281 19.004 18.315 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 -7.049 -10.171 -14.603 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 -2.126 2.154 2.947 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 -15.167 -3.757 10.835 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 -17.633 -3.866 2.549 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 1.862 -0.820 -5.288 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 -6.993 2.381 -18.460 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 0.821 -3.455 -2.017 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 3.218 -3.052 1.373 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 6.792 -4.428 -0.685 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 -2.961 -2.945 5.413 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 -1.939 -0.435 1.876 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 -4.346 -6.402 22.817 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 12.023 -5.834 -34.884 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 -3.555 -1.088 4.176 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 -10.147 -5.449 13.814 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 -14.734 -3.920 6.473 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 1.516 -4.104 0.114 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 -3.988 30.872 -8.731 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 -1.833 -2.523 -19.537 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 -2.239 -3.461 -5.798 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 -31.447 -8.995 1.656 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 8.410 -31.570 -11.478 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 2.063 1.299 2.862 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 2.302 2.302 2.629 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 0.139 -1.024 11.395 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 2.242 -0.142 -1.549 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 -8.857 -3.803 14.366 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 2.683 0.063 0.301 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 -3.721 -7.521 -3.961 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 21.219 -46.569 4.399 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 5.988 -38.036 -16.717 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 -0.721 -4.006 3.637 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 -17.080 -7.576 24.792 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 -3.707 -10.157 -1.533 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 -5.178 7.095 -1.816 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 -18.324 -12.767 -15.529 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 -12.124 -9.123 3.525 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 0.236 6.345 1.038 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 -0.804 0.946 -8.155 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 -0.582 -0.765 19.662 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 2.891 -1.361 0.934 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 2.829 -14.971 11.881 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 -3.032 -22.603 -7.723 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 -0.009 3.379 0.997 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 9.366 -18.997 -12.900 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 -1.318 4.211 1.167 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 8.079 1.098 4.568 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 -3.961 -1.444 21.766 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 -6.314 3.755 -11.664 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 1.160 -5.522 3.020 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 -10.274 -14.138 -14.533 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 7.282 -5.756 13.408 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 -4.632 1.412 -2.397 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 9.720 1.012 -17.108 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 -15.062 2.202 5.583 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 -8.065 4.388 3.245 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 -8.967 -2.931 -15.891 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 -8.055 -0.198 -5.678 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 -6.169 -1.885 1.677 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 -10.613 -1.521 -19.048 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 -21.707 -0.860 3.288 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 2.855 0.780 8.880 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 -18.570 -4.027 11.336 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 3.351 11.710 2.899 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 3.728 -0.198 0.290 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 11.831 4.713 -2.864 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 -16.230 3.584 12.483 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 1.674 -2.810 0.006 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 -8.607 7.144 0.875 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 6.210 -12.477 -9.484 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 2.790 -2.541 5.289 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 -16.718 8.567 15.245 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 -10.534 27.501 -5.123 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 4.969 -2.490 0.380 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 -6.141 -1.088 1.457 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 -11.756 -2.824 -6.059 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 0.905 -3.360 1.327 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -11.025 3.112 -25.994 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 14.096 -11.428 1.283 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 0.804 2.555 -5.315 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 -22.923 -2.174 -28.431 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 -20.515 -7.048 -22.437 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 -1.792 -1.534 9.001 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 -3.848 -1.849 -0.161 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 -4.954 2.335 19.099 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 -0.672 -0.150 -3.298 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 -1.525 -29.855 -4.069 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 -0.584 24.446 -1.884 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 -2.949 -4.961 2.601 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 0.191 -7.937 2.231 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 -4.519 -6.382 -1.716 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 -1.040 0.122 1.499 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 -7.869 1.475 -1.984 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 7.104 0.455 -5.538 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 1.421 1.695 2.676 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 -2.392 28.475 4.724 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 19.778 -2.479 20.407 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 -4.202 -1.152 1.391 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 -14.792 10.657 -10.754 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 -18.260 -15.537 -37.541 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 -4.812 -6.250 1.604 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 9.261 -25.176 -3.831 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 19.624 -24.230 -10.972 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 5.992 1.957 -0.142 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 -12.927 -6.515 17.747 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 -16.750 0.292 -3.372 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 -1.650 -0.203 7.965 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 -9.261 -1.956 4.357 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 -13.850 7.198 -3.594 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 -2.910 4.480 -4.244 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 -0.367 28.735 30.333 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 -11.065 -19.178 3.773 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 -8.758 3.577 -3.444 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 -1.772 -1.451 2.186 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 -2.916 8.412 -6.185 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 1.874 2.703 -1.177 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 -7.085 -9.604 5.503 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 -0.069 17.155 2.151 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 -4.300 -2.025 -0.521 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 -2.397 3.047 21.948 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 2.320 4.691 0.024 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 3.432 -2.968 3.902 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 1.287 13.769 21.675 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 7.798 -1.278 -1.099 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 1.555 0.276 -2.390 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 -15.273 12.249 -11.994 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 -10.455 4.585 -14.969 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 -2.745 -0.429 1.560 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 23.871 9.411 -28.313 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 3.700 -10.683 -3.985 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 0.903 4.937 -5.291 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 7.634 -5.491 2.790 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 2.545 -4.814 2.266 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 2.984 -2.122 0.460 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 -7.257 -19.009 23.922 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 9.814 13.901 7.168 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 2.187 -0.934 -3.552 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 1.889 8.891 -15.291 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 8.043 -5.880 -6.466 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 -2.814 0.089 -2.516 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 -5.343 28.490 -20.590 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 -6.075 20.226 -8.335 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 -4.485 -5.859 1.538 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 -1.279 -11.949 1.051 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 -1.402 -2.734 -5.373 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 -1.332 -1.236 -4.137 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 11.589 -4.829 9.860 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 -14.815 7.086 -10.236 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 -0.905 -4.548 0.504 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 15.971 -1.773 -7.509 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 2.472 -4.517 1.418 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 0.105 -5.017 2.966 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 -3.838 -1.890 -6.616 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -12.673 -24.398 6.247 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 -5.976 -0.276 -1.620 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 11.996 13.690 -23.770 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 -36.738 -9.946 24.513 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 -1.021 -6.761 5.618 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 1.249 2.208 1.926 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 -8.478 3.466 0.232 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 6.099 3.032 -4.933 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 -15.956 -1.347 -11.332 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 1.124 4.779 -4.514 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 -5.345 -5.431 -2.494 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 -5.065 0.410 -10.077 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 10.502 8.401 -4.085 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 0.151 0.422 -3.084 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 10.127 43.288 5.794 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 -17.751 -1.511 -18.768 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 0.511 5.593 4.625 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 7.235 5.399 -13.035 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 -9.653 -1.861 4.191 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 -3.206 4.437 -0.204 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 0.893 17.696 -2.492 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 0.880 16.320 6.940 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 -5.067 -1.207 8.279 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 -17.888 -8.009 22.503 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 2.781 -9.742 1.796 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 0.343 0.624 6.358 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 -2.741 -7.085 3.949 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 -5.002 3.744 -1.977 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 7.444 1.594 4.778 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 11.214 2.247 4.705 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 8.910 -8.313 6.671 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 -0.652 -9.825 -4.263 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 -0.920 -13.706 -12.162 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 1.136 -4.553 -5.548 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 -1.090 -1.079 -0.274 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 -12.604 17.194 23.512 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 7.822 20.710 -7.798 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 2.876 -11.576 3.891 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 5.427 -1.488 24.784 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 6.488 9.134 18.788 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 -0.579 -4.380 4.054 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 -2.096 -9.525 14.144 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 5.946 3.841 7.142 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 -4.234 6.141 -2.059 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 -40.467 15.115 -16.509 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 -0.133 18.829 4.423 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 -2.469 3.004 -3.346 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 -6.931 4.168 -3.719 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 0.884 -1.446 -13.998 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 -0.843 4.084 6.085 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 -1.903 7.667 6.746 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 -13.225 4.621 1.920 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 0.787 -0.218 -3.594 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 4.560 14.029 20.830 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 -1.138 -1.355 -3.986 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 -3.096 1.440 6.969 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 -1.938 2.504 12.138 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 -2.350 -2.570 -0.406 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 5.845 2.561 0.520 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 14.869 18.812 -2.980 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 4.267 3.149 12.237 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 4.391 -2.977 -0.123 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 29.043 4.636 16.948 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 -11.452 -6.137 11.386 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 4.225 -8.371 -0.571 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 11.545 -9.112 0.753 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 -10.100 -12.775 10.968 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 -1.239 10.845 -1.163 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 18.739 6.257 -4.366 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 1.557 7.897 -3.739 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 -2.668 1.728 5.731 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 -8.696 12.990 -7.436 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 7.563 -7.468 -4.299 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 -2.852 4.884 7.397 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 -7.659 -29.288 13.340 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 -3.284 24.516 7.980 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 -6.593 -2.180 -3.860 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 -6.932 -6.194 -7.062 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 -8.225 -10.338 -5.547 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 0.137 2.865 2.469 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 -22.132 -10.403 19.385 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 -14.821 -18.258 -10.626 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 -2.264 7.475 -1.266 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -9.467 -11.424 0.301 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 -4.946 16.284 -2.867 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 -4.679 -3.690 3.142 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 -12.086 -14.854 9.734 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 -6.961 0.119 -8.105 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 3.793 -1.540 4.094 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 7.698 -3.729 2.006 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 -2.255 -19.123 -6.104 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 -3.464 6.365 -0.601 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 -1.556 -24.169 4.524 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 9.728 25.868 1.076 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 3.891 -3.817 -5.944 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 -9.927 -8.548 -16.582 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 13.690 -3.977 8.460 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 5.503 1.744 1.513 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 -20.804 4.747 -4.809 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 5.235 2.479 -3.708 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 1.248 2.879 -1.112 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 -5.112 -4.590 -6.696 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 4.359 3.744 1.504 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 -4.114 1.321 -5.684 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 -10.005 2.024 1.155 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 15.442 15.457 -18.504 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 0.420 -2.016 2.033 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 -9.309 -30.780 -4.872 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 -5.042 -14.113 -2.510 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 4.810 4.574 -5.218 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 -0.536 0.784 -16.134 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 15.063 10.416 23.918 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 5.095 -1.122 -0.275 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 1.989 1.418 -2.604 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 5.801 -1.493 -1.066 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 -4.477 6.301 1.712 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 -12.675 10.064 23.374 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 8.380 -1.752 5.668 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 -0.401 0.675 4.870 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 23.577 0.909 -2.659 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 8.863 0.341 1.195 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 -1.538 -2.400 0.674 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 5.392 -4.243 4.429 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 -7.142 -7.246 2.197 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 -1.554 1.432 -0.998 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 -18.345 -12.354 -8.895 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 -2.036 -10.409 24.711 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 0.108 0.688 3.476 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 -0.557 2.123 2.158 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 0.619 -1.357 6.130 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 -0.650 -0.694 -2.454 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 -6.633 2.697 -8.336 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 -8.643 -3.249 2.745 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 0.885 -1.036 2.030 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 11.746 -16.682 13.613 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 -2.491 10.979 5.130 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 3.045 -5.871 3.318 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 4.620 -4.026 -14.588 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 -10.421 -6.516 5.480 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 3.645 -4.356 2.151 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 17.639 -2.846 -0.581 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 7.565 2.998 0.956 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 -0.540 -1.734 1.397 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 -4.267 -0.016 3.565 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 7.053 -5.490 -4.017 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 -0.183 -4.720 4.402 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 -21.954 -16.543 11.822 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 9.351 -8.212 10.219 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 6.396 1.002 -1.030 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 15.650 9.514 4.586 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 1.302 -6.138 -10.465 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 -1.268 -3.138 0.690 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 -11.274 -20.975 -13.266 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 -0.056 -0.563 -9.629 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 -0.483 -3.375 -0.185 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 0.035 -31.305 7.684 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 -10.228 -19.141 -14.699 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 -1.493 -1.074 2.941 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 19.623 23.520 8.548 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 -4.326 -8.439 -8.896 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 -5.640 3.825 -8.569 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 -5.446 1.638 -6.686 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 -8.482 10.124 -2.315 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 2.024 -0.261 5.289 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 6.545 3.526 1.636 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 -11.523 -1.766 13.160 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 7.445 -9.432 -5.073 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 13.521 -11.334 5.603 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 10.504 -7.286 4.652 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 -1.451 -4.343 4.849 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 -15.064 38.567 3.394 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 0.418 15.480 25.599 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 -0.885 -5.033 1.086 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 1.055 12.849 -17.144 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 -16.448 -16.083 -13.873 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 -6.252 -2.808 -9.205 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 -19.420 -1.173 -4.320 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 24.282 7.657 -25.334 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 2.412 -0.817 -3.123 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 14.217 3.862 -8.191 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 -2.416 -1.019 19.038 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 -1.502 -5.343 -2.447 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 9.716 -7.131 -16.467 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 8.758 -13.140 -1.852 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 5.503 -2.142 4.834 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 0.446 -8.219 1.418 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 4.321 -7.684 6.462 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 -1.115 -1.251 1.415 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 -9.846 6.083 -2.723 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 21.909 -2.453 8.236 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 3.832 -0.719 1.757 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 8.029 -4.668 -1.732 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 7.848 -3.802 -3.610 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 8.560 6.540 4.059 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 1.875 7.827 25.148 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 -8.790 -6.021 -9.266 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 0.437 0.015 -0.930 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 19.156 -14.508 14.457 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 2.548 -1.468 -8.727 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 -4.759 1.836 2.712 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 -13.108 14.414 4.593 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 -8.856 11.998 0.855 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 -1.639 1.624 -4.364 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 -11.928 28.132 -10.261 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 -19.244 -18.813 -18.767 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 -5.716 -3.675 -2.594 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 15.505 -12.312 15.178 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 -15.011 9.963 7.131 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 7.379 -2.809 4.364 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 -13.949 -6.839 -20.377 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 8.551 0.296 -6.183 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 -1.308 -0.351 3.587 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 0.974 -3.270 4.092 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 -5.523 4.350 -4.080 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 7.854 -3.721 5.323 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 -10.804 -14.401 0.999 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 9.358 20.004 24.363 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 1.202 2.402 1.580 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 -4.045 10.022 8.279 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 1.188 9.903 1.106 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 -10.779 0.145 5.000 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 8.027 -16.894 3.735 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 -15.322 -9.818 -4.672 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 1.940 -7.343 5.141 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 -7.041 -13.895 28.683 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 11.420 2.063 -9.195 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 -0.883 -1.289 0.569 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 -6.778 -3.824 -9.636 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 10.649 5.370 8.401 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 -0.566 1.216 0.111 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 -6.029 -16.070 -28.402 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 -6.217 -10.815 3.231 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 2.711 7.224 2.471 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 2.739 34.080 3.730 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 5.678 -7.976 11.970 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 1.591 3.230 -3.099 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 18.388 7.403 -3.157 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 10.363 -0.538 -1.441 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 0.976 -0.998 3.031 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 19.129 5.993 9.872 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 3.265 10.755 6.567 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 -3.495 -6.031 3.109 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 -1.821 -0.139 7.640 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 -8.118 -5.153 -1.830 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 2.492 0.725 2.604 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 8.534 -2.863 10.896 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 -4.916 1.549 -6.433 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 -2.229 2.584 -0.784 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 -6.017 2.724 -16.488 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 -2.160 0.777 9.986 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 -5.091 3.480 3.179 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 19.366 8.917 -4.168 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 -14.000 -3.763 -2.494 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 -6.976 -0.110 -5.832 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 -0.842 2.494 -12.319 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 -7.246 0.094 -6.270 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 2.126 -2.143 7.266 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 -15.666 7.254 9.162 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 -1.799 -3.487 4.755 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 -3.195 -1.072 5.711 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 2.458 12.679 -9.486 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 -9.451 10.178 33.495 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 6.360 10.908 -3.122 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 8.872 9.652 -4.004 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 0.477 5.129 -3.114 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 2.277 0.380 -10.646 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 11.477 14.195 -13.527 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 -18.543 1.069 13.931 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 0.592 1.647 0.672 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 1.932 -1.295 11.498 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 -2.064 -17.853 0.662 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 -2.805 0.484 6.269 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 -5.863 17.319 14.062 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 15.387 3.244 2.368 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 -1.998 0.023 2.223 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 -3.106 9.972 -20.204 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 -1.580 -9.477 10.556 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 -5.909 -9.720 0.069 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 -14.407 7.452 -11.611 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 -7.807 -15.669 -13.287 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 -3.634 2.634 0.987 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 9.019 12.139 3.026 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 -8.019 16.135 -5.234 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 -2.404 -1.907 -1.517 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 -0.491 -19.620 -15.128 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 -6.377 -15.813 -12.878 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 2.833 1.737 -4.302 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 -5.811 13.896 6.700 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 -9.807 11.009 -21.506 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 6.315 5.688 1.253 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 -22.573 -24.413 -16.785 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 -14.002 -15.136 7.411 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 -1.079 0.459 -1.238 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 -6.734 7.684 8.390 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 -3.403 4.330 -4.805 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 6.884 -3.934 4.132 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 8.890 -8.811 -5.171 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 -1.879 13.364 20.952 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 -0.166 2.582 2.659 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 0.288 13.959 13.631 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 -5.621 1.310 2.960 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 4.002 1.223 6.004 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 1.418 10.989 37.791 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 9.031 -16.520 -1.906 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 -4.230 3.371 -6.260 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 -7.798 -1.240 -5.406 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 2.459 -11.663 -11.792 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 -1.456 -3.594 -1.025 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 26.636 -4.608 -22.681 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 3.394 -3.621 -25.796 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 -3.036 3.060 -4.845 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 10.282 -5.528 -21.858 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 -20.648 -12.375 -2.902 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 -1.714 -1.287 -2.024 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 4.321 -19.178 -1.629 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 -2.750 10.462 -1.832 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 -10.246 -0.584 -8.206 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 -7.960 -10.597 17.534 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 -4.128 -2.892 -0.285 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 -1.198 6.475 2.343 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 -7.316 -6.045 5.197 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 19.294 1.086 -13.124 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 -6.048 0.955 6.752 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 0.430 15.665 14.114 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 0.159 21.904 13.506 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 5.428 -4.708 1.862 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 6.076 8.267 2.884 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 -25.790 -28.165 4.181 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 5.422 2.664 -1.239 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 7.862 -13.282 15.515 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 -11.548 3.887 -4.011 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 -2.079 -1.140 -0.432 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 -3.789 1.278 10.754 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 0.869 -22.546 3.810 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 -1.736 0.421 -2.019 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 12.205 2.972 -25.654 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 -4.826 9.476 18.681 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 -0.487 5.891 -7.924 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 14.578 2.954 -18.986 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 0.690 -17.585 5.898 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 -4.353 1.290 -3.400 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 7.831 -7.420 1.392 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 -7.222 -10.296 -4.508 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 6.491 0.161 0.322 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 12.806 4.449 -8.257 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 2.620 -1.850 -6.622 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 3.303 4.259 -0.962 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 -1.255 9.658 -5.087 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 -6.021 -19.236 1.872 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 1.610 0.754 -0.124 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 3.016 4.005 -8.466 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 -2.384 -2.598 13.995 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 -5.433 -7.453 -5.036 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 14.823 -5.137 -4.338 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 -1.043 -0.418 -27.817 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 -7.771 1.058 1.563 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 -42.349 5.148 1.677 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 -14.647 -3.395 5.949 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 -3.796 2.003 -7.045 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 -8.318 16.148 6.228 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 -0.710 2.970 -20.139 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 -0.033 0.355 4.212 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 -0.733 6.137 -1.414 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 6.900 -22.667 32.633 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 1.696 -10.024 6.625 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 29.538 9.694 -14.552 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 13.499 2.753 18.591 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 2.094 -0.228 3.151 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 -4.389 -8.522 8.827 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 13.341 21.272 11.141 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 -4.261 -1.345 0.369 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 13.573 -10.906 -0.890 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 -0.710 3.524 17.937 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 0.198 7.445 0.657 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 16.359 2.547 -8.648 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 -4.377 -1.234 -9.521 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 -0.250 3.112 4.104 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 -2.332 0.819 -1.888 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 7.869 9.052 -1.736 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 0.539 -3.913 -1.053 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 15.878 4.755 11.553 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 -6.706 -7.198 -14.511 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 1.069 5.373 -2.521 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 -11.006 18.990 -14.390 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 18.104 16.313 -5.923 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 -3.056 1.332 5.366 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 2.136 4.983 7.307 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 -3.203 4.258 13.600 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 2.171 -0.588 2.777 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 -1.704 -13.952 -4.386 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 0.025 20.650 20.255 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 -3.159 2.867 4.218 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 7.441 -1.042 3.780 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 -26.026 7.869 4.883 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 1.972 0.800 -4.463 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 6.356 -14.414 -6.571 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 12.992 3.594 -2.737 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 -4.076 3.251 -7.943 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 -1.240 1.901 -5.168 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 12.445 -0.050 -10.824 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 4.525 -7.876 -4.346 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 10.632 0.957 15.120 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 3.893 -2.927 2.571 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 2.770 -7.138 2.708 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 -22.487 7.551 -14.515 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 -11.529 3.098 -6.797 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 -0.595 2.218 6.357 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 8.014 14.002 -10.791 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 14.101 16.599 -3.834 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 -3.656 -2.996 2.321 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 -0.026 -13.586 8.924 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 -22.518 0.351 5.235 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 2.884 -4.330 2.536 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 -1.625 -21.714 -1.955 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 2.215 27.957 -3.860 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 -2.297 -3.559 -0.534 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 -7.385 -13.232 1.567 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 5.248 4.072 -0.248 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 -4.996 2.778 3.171 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 -2.953 -6.029 -14.381 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 -4.245 -6.384 -1.782 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 0.749 -3.528 0.232 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 5.975 8.237 13.996 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 6.362 -8.345 -1.782 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 -6.404 3.479 4.430 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 -1.056 2.697 3.620 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 -8.436 0.230 -1.564 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 -7.924 0.452 -5.917 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 -7.654 6.455 -0.360 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 -17.269 3.445 0.420 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 0.890 2.170 1.226 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 -12.023 9.637 -13.490 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 23.959 11.776 -5.637 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 -2.738 1.025 0.917 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 -9.353 1.881 -0.637 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 -11.769 0.165 -4.130 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 3.166 0.858 -3.268 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 -6.369 9.058 7.289 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 -3.738 -13.979 -3.507 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 14.996 1.331 -1.902 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 24.073 -24.705 -1.050 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -7.122 3.764 -2.827 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 1.870 0.158 -0.440 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 32.111 8.768 1.891 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 -18.760 -6.330 2.925 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 3.525 -0.939 2.071 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 2.863 1.924 -0.811 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 1.810 1.342 -1.227 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 1.415 -0.482 3.611 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 4.120 -3.752 6.190 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 -6.309 -20.340 2.961 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 2.758 -0.139 1.333 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 20.566 -41.475 0.215 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 0.807 4.574 1.148 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 -0.414 -0.344 5.467 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 -10.249 11.794 1.944 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 6.539 -11.429 -9.540 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 -0.957 1.648 7.605 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 -7.318 5.728 16.969 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 11.195 1.771 -2.290 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 2.717 -2.299 3.469 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 1.842 4.285 -12.902 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 6.554 -11.364 28.960 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 2.748 2.513 3.060 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 19.572 -1.895 16.435 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 2.391 2.724 -13.238 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 -3.380 0.526 -2.076 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 -6.537 3.613 2.816 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 -4.811 -9.351 -0.548 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 -7.144 4.545 -2.585 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 11.581 19.734 2.936 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 33.190 -3.976 -20.100 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 1.287 0.467 9.745 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 13.623 13.049 -2.385 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 -5.601 -8.518 -9.470 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 2.834 -4.352 0.461 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 -11.314 -0.052 -2.185 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 1.849 -1.191 -0.519 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 -4.091 -6.004 4.072 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 2.334 -3.301 -1.124 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 -17.255 27.472 2.604 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 -5.737 -2.570 4.125 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 8.282 -7.731 5.597 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 11.914 11.001 9.868 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 8.021 -3.244 -1.479 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 7.522 -5.367 -4.775 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 19.695 2.513 -10.241 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 -2.552 -2.684 -4.130 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 4.968 -16.884 -21.542 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 -5.039 -7.137 12.980 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 0.745 -4.069 -3.049 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 -11.211 -8.994 0.347 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 5.066 -8.506 1.248 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 3.037 -2.524 1.345 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 7.714 15.310 22.555 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 -13.187 3.427 -18.991 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 2.113 -5.086 4.129 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 7.137 -6.812 4.418 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 6.862 -10.263 2.515 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 3.540 -3.323 4.646 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 -0.872 -19.031 -9.143 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 11.856 -3.070 7.547 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 -1.703 -2.220 -2.914 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 27.512 3.976 -13.982 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 1.112 3.049 18.538 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 -0.032 0.109 -0.364 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 11.427 1.806 -3.206 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 -7.229 9.463 -2.434 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 -4.423 6.397 -2.186 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 6.535 0.337 6.812 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 38.694 8.644 18.871 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 3.144 1.588 -3.273 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 0.706 0.503 -1.782 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 17.909 -17.097 -4.298 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 -3.414 -7.097 -5.169 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 1.331 -0.636 4.964 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 -10.152 -10.295 -27.828 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 -4.543 1.421 0.474 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 -4.602 3.805 -2.084 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 -5.812 -2.831 5.401 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 -1.244 2.294 -2.847 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 -2.644 -2.584 -21.255 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 -11.335 -5.802 -17.232 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 -1.559 1.488 -1.751 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 -5.460 -8.734 16.566 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 10.443 23.630 -0.407 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 -2.514 -1.841 -4.571 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 0.842 -5.571 -18.915 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 -0.462 20.634 -8.063 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 5.951 0.794 -0.287 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 16.002 -8.793 6.582 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 18.196 -0.958 -4.279 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 2.017 5.021 -2.312 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 -13.540 -6.847 2.784 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 4.759 -0.880 -14.955 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 -1.261 -8.456 5.884 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 -0.262 -8.386 6.564 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 -2.344 -10.202 10.026 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 5.240 -2.812 -0.966 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 8.436 -2.648 -7.999 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 2.098 3.166 -1.775 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 -2.131 2.268 -1.219 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 -1.318 1.136 -0.198 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 -0.223 5.195 -26.390 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 -7.039 -1.574 2.712 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 -9.070 -13.075 -8.164 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 -25.373 2.896 -7.922 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 2.382 -5.368 0.608 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 48.267 14.051 12.061 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 -20.297 -10.686 -5.754 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 6.237 -0.304 1.510 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 10.360 -21.745 -5.059 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 -17.273 8.479 1.904 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 -0.391 -0.126 1.556 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 -5.329 4.041 6.535 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 -8.391 0.630 -3.321 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 1.521 -7.688 -4.430 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 7.933 2.356 14.752 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 -23.160 1.612 -39.107 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 -1.887 -0.600 0.222 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 -7.531 9.096 4.011 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 21.340 27.383 1.284 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 -2.167 -0.136 -11.568 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 20.627 12.678 -0.269 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 -0.276 -7.973 -2.010 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 -1.539 -1.734 -7.360 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 8.473 -6.559 -16.721 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 -8.433 -8.076 3.820 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 2.557 -2.832 2.660 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 7.258 -1.506 -32.417 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 -0.051 -10.479 19.528 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 -1.881 -2.576 1.017 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 6.586 -10.510 8.335 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 -12.574 -7.908 6.748 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 -4.454 -0.223 4.104 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 -19.996 8.575 24.161 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 -9.481 -23.034 -5.829 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 4.924 -3.387 3.723 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 4.847 -8.203 5.637 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 0.927 7.961 10.048 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 6.573 0.014 2.655 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 0.333 -0.703 -2.856 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 2.347 -1.481 -5.979 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 2.024 2.032 6.594 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 2.521 -16.968 -0.398 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 15.829 -6.424 25.338 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 10.539 2.585 1.916 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 14.572 5.131 12.132 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 20.188 -15.212 15.693 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 -0.068 -1.266 0.956 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 -24.924 -19.444 8.775 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 -1.527 -30.922 6.542 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 -8.962 5.386 2.377 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 -5.196 1.988 -15.690 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 -12.233 1.730 -1.293 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 2.297 -6.795 -4.064 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 9.727 -1.806 10.085 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 -15.911 -5.956 -15.801 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 1.382 -4.486 1.182 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 5.003 -5.540 -21.458 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 -0.208 12.445 10.670 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 0.717 -5.435 -2.377 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 -12.412 -15.162 15.344 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 -7.669 -5.218 -12.973 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 1.936 8.023 -1.854 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 -8.651 12.720 -1.625 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 0.626 5.388 -12.022 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 4.105 -3.094 0.420 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 13.858 -31.485 4.378 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 7.366 -22.444 -0.582 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 2.221 0.288 3.838 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 10.476 17.676 0.356 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 12.921 -13.921 -5.879 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 -2.063 -6.465 6.805 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 -12.521 -11.849 15.859 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 8.159 -18.482 8.676 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 2.343 -4.255 2.001 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 -8.454 -15.755 10.844 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 -12.149 13.732 4.109 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 -4.356 13.367 2.160 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 4.945 0.689 0.413 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 16.423 6.064 6.489 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 -0.681 1.455 8.054 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 -4.818 -4.226 6.591 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 3.745 5.797 -23.624 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 -2.323 1.603 -5.117 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 -2.157 -3.032 -7.464 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 -0.770 -13.587 -12.827 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 0.529 4.966 1.797 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 -9.430 -20.184 17.264 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 0.853 18.389 -8.937 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 -3.799 7.762 6.491 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 -4.045 22.587 35.660 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 -6.619 -4.643 -9.940 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 1.506 0.153 3.215 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 13.351 29.727 -21.998 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 -2.215 -10.725 5.587 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 -2.414 -9.876 4.042 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 6.166 -11.323 22.449 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 16.423 -13.582 -11.894 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 -4.099 -2.285 1.784 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 -18.249 -8.259 4.022 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 20.374 -1.640 -11.049 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 -2.178 -3.331 4.304 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 6.414 4.822 4.530 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 12.217 -4.776 -1.257 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 -7.686 0.409 0.923 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 -23.942 10.189 -27.556 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 4.666 -8.868 6.991 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 -3.240 4.388 0.135 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 -3.684 10.866 12.265 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 -2.276 1.434 -2.583 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 -4.035 1.218 5.212 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 -8.696 11.627 15.983 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 4.430 -8.828 4.226 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 -3.643 -6.407 -3.617 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 -18.232 -20.893 10.643 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 0.980 -19.983 -11.181 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 -5.483 -1.895 -1.022 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -30.064 4.837 -6.796 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 8.802 -11.674 8.651 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 -2.411 3.831 -3.370 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 17.185 3.951 7.293 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 32.426 -2.476 2.858 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 -5.342 1.290 1.572 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 11.021 7.904 -2.811 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 -3.336 -19.258 -3.435 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 2.226 5.836 -1.536 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 14.767 9.275 -13.257 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 -8.423 0.464 11.252 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 -2.945 -6.511 -1.875 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 8.456 9.147 -8.239 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 9.106 -15.880 12.151 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 -2.987 -2.521 5.785 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 -20.904 -14.649 24.174 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 -1.435 -1.236 4.375 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 4.951 -2.466 -2.977 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 -6.826 -17.062 -9.362 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 17.119 0.637 -19.494 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 3.126 -5.395 -2.765 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 18.013 -9.116 10.412 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 8.376 -2.308 1.917 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 -6.243 2.534 -4.427 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 -1.409 -0.389 0.533 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 -13.649 5.723 -12.722 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 -6.887 -3.603 9.477 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 -19.130 26.512 8.044 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 10.136 -15.130 11.168 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 -4.391 -9.499 5.878 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 -0.102 15.753 -7.895 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 -18.896 10.199 -8.798 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 4.883 4.046 1.798 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 6.427 0.920 -16.040 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 2.073 5.336 5.951 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 1.007 5.487 4.931 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 3.062 -18.729 -8.081 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 -16.543 -5.734 -1.059 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 -3.919 -0.800 -4.772 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 -13.339 3.001 -6.840 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 4.408 -3.675 -2.534 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 1.029 3.908 3.005 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 -1.157 4.553 3.698 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 1.306 -0.221 3.854 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 -0.645 -4.298 3.120 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 -12.141 -10.717 19.019 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 -11.761 -1.437 -2.990 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 1.748 2.161 -5.664 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 -6.695 5.936 -6.015 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 12.337 -4.298 -5.058 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 -1.750 -1.399 1.262 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 0.368 1.968 -1.660 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 -6.773 -5.863 7.068 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 -1.691 -0.781 -5.561 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 3.596 0.102 -1.452 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 -16.803 -3.747 -29.345 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 -1.177 0.105 0.475 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 -15.544 -12.053 -12.853 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 8.947 -9.087 10.262 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 4.048 -1.470 1.560 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 13.906 18.484 2.473 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 7.554 -5.426 26.077 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 -13.655 -1.717 -0.979 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 0.407 -19.967 4.526 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 -21.385 7.285 -2.474 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 -2.154 1.275 1.921 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 0.438 -22.938 -4.035 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 -12.018 7.055 15.794 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 4.220 -4.373 5.483 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 -5.271 3.954 16.226 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 1.629 -5.219 12.377 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 -1.745 -2.315 1.429 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 -6.427 -3.267 0.672 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 -4.412 -0.361 -27.949 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 2.449 2.886 3.431 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 1.035 9.313 0.767 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 -1.085 2.444 9.908 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 -3.068 -3.173 1.650 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 -3.581 0.808 -5.589 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 -10.804 -12.855 18.671 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 -0.678 -0.588 -4.837 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 -4.548 -13.531 -12.406 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 28.391 -15.036 8.240 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 -0.190 1.861 -8.596 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 -6.313 19.335 11.504 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 -2.266 7.746 11.687 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 -2.608 -0.332 -3.361 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 -3.424 -15.980 -3.172 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 4.018 28.173 5.790 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 6.354 4.156 -5.994 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 14.924 9.285 0.300 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 0.086 0.526 -9.543 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 -0.533 -3.407 -2.853 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 -3.047 -6.103 1.933 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 -12.901 -17.221 20.111 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 5.313 -7.789 -8.007 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 -1.519 3.592 -20.068 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 -7.152 3.470 -0.580 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 4.942 -2.573 5.140 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 -10.639 7.094 10.757 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 -11.594 -17.607 -12.634 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 -4.471 2.289 2.812 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 -9.889 18.192 23.848 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -4.447 -0.299 2.237 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 1.191 0.466 0.418 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 15.066 5.040 -5.543 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 -19.108 -7.680 37.364 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 1.181 1.960 2.654 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 1.713 -19.635 16.208 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 -30.318 -28.044 -2.301 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 5.992 0.149 2.497 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 12.575 -4.106 -2.567 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 9.885 2.127 -15.325 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 5.620 -3.664 -1.758 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 9.117 7.697 -15.792 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 -11.421 -4.538 -6.568 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 4.526 7.027 4.732 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 -23.676 25.701 17.903 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 22.442 -27.412 3.292 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 10.487 -8.407 3.949 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 -5.509 -1.530 14.459 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 24.596 5.301 8.757 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 -1.586 -1.327 1.774 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 -19.686 13.648 -1.173 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 3.662 12.498 4.741 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 -2.872 1.473 -3.092 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 -35.819 7.146 10.627 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 5.923 -0.793 -3.943 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 1.953 -4.789 -1.902 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 1.849 10.540 1.881 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 -11.248 -6.502 9.955 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 3.477 4.067 -2.076 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 -1.649 -11.845 6.945 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 10.497 3.592 -4.808 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 -2.265 -3.257 -6.142 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 -5.727 -2.305 -11.427 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 7.525 -4.495 -2.520 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 1.790 0.874 -7.964 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 8.483 -5.942 12.210 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 -12.661 4.900 -17.474 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 2.222 2.721 -2.911 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 -8.318 10.993 -29.992 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 -5.600 26.157 -18.142 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 -5.250 -4.207 1.241 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 4.770 13.019 0.383 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 -12.584 19.346 -12.490 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 -2.734 3.662 1.713 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 2.283 21.756 -4.770 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 -3.279 -1.845 -18.672 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 0.156 -0.717 5.891 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 -13.310 7.990 4.983 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 -3.179 6.071 -2.586 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 -1.971 2.523 -0.969 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 -10.207 18.914 11.294 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 -32.450 13.584 -6.622 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 1.127 6.562 3.299 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 -1.889 -5.359 4.565 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 0.279 18.050 -18.400 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 -1.259 -11.441 -4.014 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 1.202 10.137 -18.039 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 4.256 -2.049 -3.663 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 -1.214 1.109 1.289 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 4.195 -1.131 1.065 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 7.334 2.609 8.410 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 -1.903 3.115 8.324 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 -2.596 3.179 7.444 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 2.123 2.798 9.435 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 4.504 2.658 -2.321 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 -2.930 2.775 -4.538 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 4.148 9.695 4.302 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 -0.171 -0.463 2.598 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 -5.951 -29.915 16.930 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 11.246 -12.477 0.168 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 2.834 3.220 5.813 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 6.872 -4.974 7.435 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 -34.212 -14.027 0.195 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 -5.970 0.853 -0.280 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 -2.886 -23.984 -15.211 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 18.299 15.497 -9.230 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 3.552 8.616 -4.491 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 -0.481 -0.018 -19.703 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 -7.594 24.187 -0.512 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 1.517 1.297 0.961 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 -6.608 2.301 10.201 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 1.828 5.834 7.123 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 -1.806 -3.835 -2.692 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 -3.907 4.208 -17.911 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 20.974 -11.506 3.005 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 -5.042 -4.107 0.194 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 -4.801 21.191 5.358 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 -5.082 -16.535 -2.757 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 1.664 4.618 0.965 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 -2.487 5.240 3.225 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 7.382 10.367 -18.269 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 4.016 5.975 -3.752 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 -2.337 22.844 10.861 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -1.010 43.920 -42.452 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 -0.464 -5.081 2.098 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 -26.109 -1.625 -1.726 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 4.902 -8.482 3.913 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 1.608 8.037 -2.866 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 4.496 -7.207 -1.180 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 -9.923 11.352 3.796 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 -1.676 0.215 3.021 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 -23.616 -9.674 -8.165 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 -14.832 -5.832 -2.063 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 -2.063 3.759 -0.400 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 -1.956 7.285 -12.751 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 16.052 15.091 0.432 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 4.291 -2.159 3.247 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 5.438 -4.004 4.599 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 1.037 0.483 1.006 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 -2.291 4.030 0.781 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 0.658 5.000 -5.887 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 3.775 1.020 5.354 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 -1.483 -2.503 6.245 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 -1.870 -2.349 5.641 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 -18.906 -9.949 -7.464 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 -0.253 3.954 -4.052 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 -2.455 9.007 -5.866 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 3.461 5.682 -5.817 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 -3.370 3.881 0.108 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 -11.270 14.256 -28.316 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 0.758 -0.002 12.398 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 5.708 -4.367 3.480 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 -0.353 -13.675 3.374 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 -7.932 -33.678 -6.988 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 0.046 2.031 2.651 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 -15.813 -6.662 -12.394 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 -5.243 -3.513 25.583 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 -1.160 2.587 -1.808 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 3.912 7.077 -2.831 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 8.986 -4.422 4.650 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 -4.116 -7.423 1.138 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 4.177 1.497 -12.386 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 -1.981 -3.322 6.011 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 -1.727 4.978 -0.773 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 -8.452 -6.627 17.299 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 4.109 7.802 7.647 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 -3.535 3.076 -1.056 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 -5.167 -15.575 -7.741 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 6.120 22.475 12.499 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 6.386 -0.714 7.126 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 7.195 -5.901 9.687 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 1.017 -0.716 6.090 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 9.722 -0.618 0.592 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 -17.841 -26.988 -1.599 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 -1.774 3.464 3.811 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 0.899 -1.920 -3.605 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 11.576 -2.636 6.472 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 -3.859 -5.436 -0.250 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 -0.391 -0.089 4.073 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 13.171 -3.508 9.595 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 6.919 -16.712 4.846 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 -7.123 5.522 1.682 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 2.938 8.323 -5.057 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 -14.579 9.945 -19.803 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 0.226 4.850 -5.243 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 -4.126 -0.700 8.426 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 18.487 10.833 -7.061 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 0.985 0.289 -0.835 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 -8.984 0.850 -0.428 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 -2.561 -26.449 -13.205 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 3.917 -0.342 1.663 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 3.778 -0.392 2.657 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 10.853 1.573 4.853 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 0.904 -7.653 3.304 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 -16.517 4.188 -12.585 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 -1.011 12.032 25.917 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 4.008 -1.754 2.007 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 3.921 -5.637 4.353 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 2.251 0.713 1.543 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 5.217 1.588 6.720 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 8.828 8.514 11.304 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 -10.207 10.587 -8.318 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 -3.786 5.030 -1.235 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 -8.417 9.509 0.309 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 0.798 -2.360 -1.093 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 -1.244 5.071 -6.409 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 -3.035 -0.868 4.622 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 -1.982 7.694 9.648 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 1.322 -7.625 6.964 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 -19.058 -9.175 -3.619 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 -0.675 -4.921 3.821 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 9.219 0.671 5.784 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 14.971 0.096 7.646 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 -3.327 -5.725 11.412 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 -0.068 4.973 1.312 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 -1.927 -4.950 -6.280 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 1.355 6.701 4.640 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 1.230 -0.551 -1.205 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 2.000 -6.519 9.808 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 -1.343 0.758 -15.684 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 -2.466 -0.342 1.322 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 -14.583 3.933 -0.829 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 6.602 7.974 -4.741 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 3.996 -0.542 -0.894 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 3.684 -1.282 -5.930 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 -5.950 2.778 -9.629 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 0.426 -3.442 -3.051 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 7.983 -9.729 -11.213 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 6.979 -0.007 7.435 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 0.600 -2.598 -5.230 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 0.234 7.879 -4.264 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 6.209 3.733 -2.136 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 1.191 -4.328 5.495 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 -6.329 -7.478 10.900 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 44.215 15.247 -25.113 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 -3.907 -2.990 -0.311 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 -2.352 -6.230 -6.241 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 -3.876 -5.217 -8.358 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 -4.346 -0.610 0.533 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 -7.369 -7.918 1.352 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 -16.140 2.796 -25.756 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 -6.496 4.972 -3.935 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 -7.866 3.815 5.333 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 -6.491 10.348 -9.346 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 -8.275 -2.325 -4.901 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 3.491 -23.350 -6.976 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 -5.776 40.575 19.187 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 -2.648 4.558 1.063 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -13.940 -4.241 -9.157 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 11.910 -2.161 6.945 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 3.997 3.801 3.322 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 -6.117 19.826 15.652 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 2.024 11.700 -17.520 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 -2.489 -2.787 -0.461 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 5.094 -0.743 2.102 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 -12.806 10.883 -0.173 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 -4.947 -3.308 -5.060 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 -8.612 3.171 -3.658 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 -24.326 -16.098 -3.839 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 2.841 0.807 -6.862 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 -0.609 8.076 -1.952 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 7.756 3.101 -3.909 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 -2.043 -2.282 0.454 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 14.189 11.826 7.162 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 -31.599 -1.253 35.840 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 0.289 -2.749 -0.678 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 4.429 -11.975 -7.548 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 -8.046 -4.520 -10.513 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 6.930 -1.784 2.948 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 -2.349 -11.946 4.572 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 3.673 -6.820 13.084 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 1.970 4.989 -1.891 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 -0.197 0.797 -12.621 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 -11.724 10.614 5.227 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 3.559 1.755 2.930 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 -19.482 -25.570 15.732 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 1.235 -0.254 6.603 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 0.693 -1.317 -6.305 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 -3.119 1.023 -14.493 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 14.155 -3.270 -0.688 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 1.562 3.490 -2.027 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 -2.655 2.176 5.574 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 3.525 4.910 2.170 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 -0.238 -10.093 -4.629 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 0.418 -8.128 0.992 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 6.829 7.328 1.626 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 2.752 -0.218 -2.845 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 0.896 -0.337 -16.927 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 3.946 2.964 18.514 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 0.293 -0.594 3.242 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 -5.908 -19.422 -20.138 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 -1.994 -8.296 8.871 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 -3.806 1.913 -2.609 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 18.860 19.138 -1.952 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 -4.655 -9.820 23.614 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 7.939 0.977 0.717 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 17.320 0.358 -3.047 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 5.100 11.046 8.729 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 -5.393 8.336 3.483 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 -4.638 -0.224 20.164 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 -1.881 -2.305 -0.566 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 0.317 0.132 0.104 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 -17.647 -4.105 -5.206 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 18.435 2.029 -13.613 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 2.116 0.292 -5.348 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 1.298 -0.390 -6.979 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 14.881 -31.296 1.813 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 1.752 -0.323 8.265 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 -16.651 -27.736 4.149 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 -34.016 0.027 3.634 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 -8.833 3.727 2.163 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 3.571 -4.449 -10.013 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 3.873 8.092 12.294 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 0.802 1.676 2.356 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 9.445 5.882 1.593 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 -0.103 2.380 10.646 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 -0.728 1.846 2.011 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 -6.276 -21.183 -4.796 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 -4.929 11.645 4.558 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 5.307 6.203 -0.111 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 -0.447 -5.901 -2.477 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 -12.931 20.421 -0.988 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 7.075 -3.048 8.911 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 8.414 -5.563 17.132 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 8.902 -28.792 -12.045 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 -3.181 0.763 -0.858 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 0.047 20.288 -23.986 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 -4.593 10.572 -30.132 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 -0.439 -5.952 -6.105 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 19.987 15.118 -7.417 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 16.854 12.826 -7.536 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 -2.775 6.612 -9.579 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 1.936 -6.065 2.563 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 1.542 -8.802 4.203 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 -2.333 -4.947 1.470 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 -16.805 -12.550 -2.679 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 0.098 -2.805 9.062 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 -4.732 -0.623 -7.468 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 -3.909 7.979 -11.747 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 -8.578 -11.384 -3.149 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 1.030 -1.578 -1.779 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 -8.722 0.844 -8.522 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 -0.396 9.151 -0.407 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 0.875 3.466 -0.728 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 -0.687 12.740 -15.299 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 2.879 -9.390 -0.685 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 -3.860 -1.709 -6.459 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 18.966 -12.522 -7.775 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 -0.668 17.764 7.258 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 1.782 -4.728 0.521 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 3.364 -7.590 0.774 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 -3.973 -0.722 8.200 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 -2.247 -0.536 -3.540 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 -3.441 2.391 2.850 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 -25.859 -0.085 5.425 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 1.711 -3.442 -1.379 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 2.091 -4.793 -18.916 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 5.976 -1.910 16.723 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 -4.496 2.009 -2.814 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 -5.853 8.834 -3.635 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 5.163 1.016 -19.982 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 4.879 -2.932 4.371 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 5.772 -0.295 19.038 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 2.584 -5.778 -17.318 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 -0.228 0.261 3.979 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 -1.531 1.346 -18.499 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 -1.738 0.428 10.704 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 -0.562 7.660 -5.432 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 -12.720 -39.698 3.921 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 7.507 -7.451 3.334 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 -6.850 2.899 -0.539 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 6.516 38.835 18.168 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 14.858 18.911 7.161 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 0.847 -6.491 -1.585 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 5.302 -4.761 13.795 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 -12.441 8.687 3.011 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 3.512 2.858 -3.439 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 9.879 -19.773 -2.191 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 14.469 9.649 -22.206 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 -5.619 0.061 5.184 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 31.151 -6.880 15.943 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 0.006 4.534 2.197 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 -5.006 -4.263 -5.974 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 2.558 -9.940 -20.726 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 -5.778 0.704 -1.728 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 -7.156 4.532 2.554 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 -8.947 7.957 13.875 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 18.213 -9.258 1.176 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 -0.524 4.424 3.017 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 -6.581 15.457 8.144 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 1.708 -13.558 -0.333 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 5.544 3.559 -3.543 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 0.273 -9.134 8.919 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 7.746 30.504 -1.524 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 4.671 9.149 -1.795 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 -2.187 9.972 2.229 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 4.580 1.174 -6.487 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 4.139 -2.974 -2.620 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 10.547 2.735 15.429 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 -6.369 -2.948 -22.396 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 1.029 0.245 -0.496 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 19.641 -22.768 -12.830 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 -12.727 17.856 9.172 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 -0.604 5.772 1.939 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 -2.500 8.290 12.169 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 -8.583 5.740 -5.789 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 -1.474 -5.751 0.672 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 -18.195 5.308 18.256 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 3.267 -33.193 -32.652 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 -0.896 -0.486 2.626 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 -0.355 -8.139 -7.168 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 -14.579 -2.261 -25.997 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 1.143 -0.215 2.523 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 5.972 5.555 5.973 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 -0.322 3.025 11.301 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 1.312 1.173 1.258 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 -3.834 2.191 15.319 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 2.218 2.175 -1.739 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 3.310 1.504 -2.764 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 2.615 -8.297 -1.348 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 17.283 0.878 -4.111 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 7.838 4.008 -1.902 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 -6.383 2.105 5.048 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 16.583 -7.280 2.051 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 2.743 -1.706 -12.632 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 10.857 -12.556 -14.779 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 19.865 8.510 6.422 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 4.402 0.151 3.829 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 11.583 -0.010 8.753 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 11.211 13.152 -34.155 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 5.487 1.532 -0.895 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 10.265 -1.309 -11.019 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 2.232 -5.345 3.005 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -2.043 1.199 4.079 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 -7.595 1.846 6.346 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 0.702 19.981 -6.948 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 -1.735 -1.239 -1.635 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 1.780 4.512 -29.922 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 17.980 -8.612 4.186 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 1.437 0.955 3.581 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 -6.120 -10.502 3.299 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 9.943 8.504 6.969 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 3.493 -9.514 1.399 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 11.619 -14.720 0.508 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 34.357 6.728 -31.098 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 5.139 -1.617 -12.723 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 6.872 5.424 -14.542 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -2.980 -5.005 -10.957 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 -1.507 -5.570 2.240 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 3.723 2.150 13.806 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 11.300 -19.269 9.222 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 2.069 -1.985 -9.135 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 -6.811 -3.714 4.305 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 6.419 -2.874 -16.976 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 6.789 -4.045 -0.033 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 14.574 -6.212 -5.086 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 6.650 1.489 -8.505 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 -7.313 -4.042 -3.567 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 -4.903 2.154 3.432 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 15.310 11.064 -7.798 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 2.380 -1.382 -6.067 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 -2.609 -5.813 -14.998 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 -8.074 9.922 0.384 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 -2.299 8.145 -6.268 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 2.268 -6.848 22.366 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 -2.453 4.438 8.836 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 4.474 0.023 -4.153 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 6.686 7.233 -1.506 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 1.314 -8.460 -7.072 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 1.892 -3.222 2.625 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 -2.382 -19.330 -0.849 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 13.067 -11.940 2.666 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 2.262 -7.237 6.155 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 26.427 -18.261 -22.424 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 2.246 33.102 4.170 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 5.613 -2.798 2.186 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 -1.331 -8.564 -4.697 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 -6.890 14.812 -20.738 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 -5.317 -4.090 0.876 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 0.506 2.668 -20.061 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 -22.560 8.687 8.132 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 2.551 -0.999 -10.317 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 10.513 -1.435 -6.640 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 0.256 -7.795 -7.697 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 0.257 -2.868 -1.214 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 -9.942 13.796 -6.413 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 4.738 -7.588 0.388 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 1.135 0.142 1.706 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 -2.343 -9.628 -2.458 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 -7.709 -6.297 12.071 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 -0.105 0.096 -0.426 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 -11.035 1.904 -29.164 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 -18.116 -12.349 4.101 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 -0.562 -1.587 6.405 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 22.094 12.451 6.159 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 9.066 -24.897 2.602 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 -7.254 1.789 -4.909 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 -6.405 8.596 1.776 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 -5.057 13.603 -1.133 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 -9.233 4.211 -3.338 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 -2.209 16.967 -15.684 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 -17.981 -11.806 9.230 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 4.694 3.340 4.954 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 10.162 3.286 1.587 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 13.582 3.645 2.007 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 2.417 2.875 0.142 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 8.457 -8.917 -23.260 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 -2.931 2.637 -12.231 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 -3.390 0.033 2.357 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 3.217 -0.314 -0.345 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -19.805 2.477 6.138 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 -2.032 5.553 -3.976 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 -0.521 2.138 5.705 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 -2.018 -1.136 -16.401 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 -2.506 -3.499 1.856 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 7.971 -21.546 -2.610 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 1.194 -10.784 -2.377 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 0.451 -6.671 -0.003 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 -3.870 -15.848 -5.350 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 10.326 10.920 5.895 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 -1.523 -2.448 3.088 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 0.004 -3.359 5.708 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 -8.569 5.691 -2.541 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 -2.981 3.499 7.029 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 -22.807 1.178 -0.257 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 -17.061 2.488 15.264 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 1.309 -1.265 6.327 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 -5.555 -22.042 -5.906 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 -11.611 19.748 5.244 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 2.914 6.139 -0.005 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 -5.476 10.939 28.142 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 22.651 8.871 13.675 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 -2.084 0.625 -8.527 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 -7.310 -10.088 3.679 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 -3.713 2.800 0.152 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 2.907 -4.304 2.402 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 2.513 -4.792 2.379 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 12.768 -12.387 3.621 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 4.163 -4.312 -4.230 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 -0.388 -2.691 -2.821 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 -11.723 5.808 -1.458 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 -1.426 1.387 -1.069 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 8.855 12.397 12.292 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 -4.039 0.875 -5.071 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 -1.619 3.491 3.081 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 -9.370 3.495 -13.505 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 4.056 -11.130 -5.227 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 2.450 -0.032 4.999 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 -15.001 -1.560 -3.757 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 11.606 21.791 5.768 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -0.675 -5.005 3.892 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 -22.786 -2.443 -2.156 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 -2.144 -4.452 20.831 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 -1.701 3.750 -0.843 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 9.902 -7.626 12.468 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 20.020 12.534 -38.923 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 3.282 -6.717 1.769 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 2.986 8.347 -16.002 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 -3.416 -5.664 -1.199 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 3.953 7.678 1.105 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 -1.401 -0.521 -0.961 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 2.177 5.722 -6.676 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 -3.620 -3.210 -1.563 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 8.917 16.374 -5.646 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 -1.103 -6.733 5.200 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 1.336 1.943 3.063 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 2.485 -15.499 -18.782 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 -4.666 7.808 -22.589 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 0.039 2.456 2.398 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 -15.193 -2.467 2.661 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 9.887 9.363 -1.414 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 4.811 2.665 -5.614 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 5.585 -7.182 8.956 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 5.399 -11.428 14.752 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 -3.401 7.380 -4.184 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 -17.879 -0.733 -5.526 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 0.105 5.314 1.368 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 2.071 1.333 1.914 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 6.201 -9.144 0.544 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 5.891 3.197 5.634 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 -1.378 6.733 -3.270 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 -12.224 14.637 8.253 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 -9.894 24.218 -1.243 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 -3.974 0.548 -1.435 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 3.185 11.380 -10.659 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 7.834 11.396 -10.795 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 -2.726 7.151 -1.537 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 11.600 -18.616 -0.746 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 -5.083 16.963 32.017 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 -3.559 -4.919 -0.951 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 -25.715 -34.362 -13.240 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 26.638 6.309 -28.130 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 -2.374 8.217 -0.155 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 6.750 -4.323 4.338 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 -3.867 30.646 -4.955 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 5.146 0.431 -0.010 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 -1.606 -19.223 12.347 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 16.388 31.006 -17.743 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 1.988 0.540 -2.904 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 -0.041 2.649 -5.333 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 -1.272 1.941 -4.481 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 4.774 -4.021 3.720 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 46.036 -2.438 5.399 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 -13.293 -5.183 7.542 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 8.053 2.404 3.477 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 10.664 -7.775 10.302 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 13.184 15.248 -0.799 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 -1.271 3.128 1.223 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 -11.758 8.348 -6.165 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 -20.818 1.297 -12.796 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 5.478 3.713 -0.272 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 12.565 2.518 4.457 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 7.637 3.055 -7.656 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 -1.103 4.138 -4.102 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 13.730 -2.618 3.565 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 18.963 -35.226 -7.320 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 -7.080 -0.857 3.412 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 -1.207 -5.136 9.570 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 -4.166 6.886 6.131 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 -3.342 0.930 -5.564 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 -15.354 3.014 -2.501 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 -0.197 -5.627 -8.703 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 5.288 -2.503 7.294 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 1.341 -4.229 15.769 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 28.423 2.313 -6.115 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 3.535 -0.963 3.508 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 3.969 3.848 -2.523 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 3.650 -1.076 -0.238 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 -3.119 8.108 -0.451 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 -1.450 11.167 -0.593 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 -7.439 -3.204 2.072 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 -5.592 -5.060 -0.655 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 -5.814 -0.557 3.408 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 0.270 -11.942 4.645 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 -2.513 1.727 3.803 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 -2.933 8.946 -2.289 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 -15.201 11.034 11.059 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 3.566 1.403 2.149 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 4.698 0.128 1.264 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 -9.139 9.847 -7.438 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 -6.230 -1.199 -1.619 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 -5.479 -0.038 -16.506 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 1.253 -13.654 1.233 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 -0.512 -0.939 -5.411 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 -11.974 -22.834 -6.948 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 3.209 -16.403 -15.009 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 1.873 -3.999 -5.073 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 -4.351 -4.698 -9.604 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 8.237 4.464 -0.966 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 -3.869 0.583 0.496 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 10.900 -11.280 -5.283 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 -14.577 -1.936 -7.622 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 -1.273 1.069 4.309 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 -13.355 7.177 6.014 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 -0.122 -0.790 -4.540 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 -2.607 5.380 -2.753 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 7.094 5.743 24.834 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 5.319 -20.422 -13.925 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 2.262 2.912 1.324 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 -4.915 10.406 -0.433 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 1.692 12.408 16.206 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 0.312 4.633 2.639 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 1.828 -2.768 14.060 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 -16.680 1.070 12.033 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 1.918 -4.043 -4.319 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 12.490 -16.312 -12.202 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 1.940 -22.530 0.688 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 -4.382 -1.446 2.991 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 -13.853 0.298 -3.465 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 9.167 -5.645 -8.337 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 -3.058 1.226 2.805 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 -5.651 3.059 -1.836 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 -11.262 6.091 -6.831 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 6.549 0.111 -9.099 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 14.114 -4.433 -11.990 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 -21.566 10.409 -3.774 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -0.895 0.632 3.630 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 11.815 3.215 -0.755 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 10.324 -2.344 8.394 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 3.776 -0.111 3.441 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 -5.223 0.701 -8.811 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 -18.227 7.534 -8.684 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 -2.981 3.934 6.412 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 17.926 20.728 -1.107 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 9.364 1.391 5.787 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 -0.344 2.520 0.692 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 -1.594 4.606 8.290 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 -0.329 2.454 9.398 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 0.436 3.763 0.064 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 11.491 -24.916 26.829 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 14.151 -0.714 -3.528 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 -0.723 -3.865 1.444 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 -19.333 11.302 26.035 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 5.817 20.078 -7.558 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 0.730 -7.288 2.837 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 -1.360 -3.898 -8.147 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 -1.177 -2.085 -8.541 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 3.936 -0.765 0.085 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 2.358 26.433 -2.586 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 1.085 -8.544 0.602 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 2.421 2.187 -2.893 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 17.763 -1.974 -24.883 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 -6.630 -19.408 -2.536 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 -2.531 -4.888 7.000 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 0.442 2.431 -3.144 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 -0.966 -0.545 -4.313 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 -1.534 -1.143 2.518 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 -9.839 -1.820 -8.073 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 5.294 15.509 3.421 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 2.146 5.337 -1.424 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 16.574 0.435 -3.260 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 -16.831 10.707 14.072 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 5.201 2.770 6.763 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 -3.595 -9.683 5.938 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 -8.242 -6.026 6.050 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 -0.182 -1.028 -1.516 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 21.135 9.266 -2.359 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 -7.573 9.159 -4.225 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 -1.181 -2.428 9.055 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 13.769 0.250 -23.587 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 7.389 8.821 18.476 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 -3.122 0.569 4.461 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 -2.349 7.869 26.523 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 15.989 -1.488 -6.267 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 -5.251 -9.890 -3.114 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 -5.291 -6.354 -8.410 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 -9.007 -7.380 -0.029 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 -0.207 1.330 -0.353 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 -6.406 1.288 -7.211 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 -2.001 13.991 -0.671 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 -7.409 -0.283 -8.153 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 13.804 -9.579 7.206 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 29.491 -13.399 25.270 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 3.373 4.770 10.990 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 6.703 -1.027 -3.709 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 23.121 -6.824 10.373 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 -0.696 3.572 -0.159 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 11.971 11.897 -9.020 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 -12.331 -3.926 -9.845 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 -2.169 2.851 -0.428 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 -3.349 3.727 -3.726 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 -10.748 11.760 -7.772 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 0.125 0.575 6.739 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 5.994 20.411 7.532 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 -4.081 -16.414 7.008 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 -0.079 -2.511 -0.848 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 -28.314 -6.763 -9.826 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 2.767 10.173 -13.100 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 0.564 -0.303 5.803 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 6.039 6.678 -11.252 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 5.660 -21.031 2.396 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 -0.454 -1.525 0.020 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 -11.003 5.009 -6.571 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 -3.689 -7.221 13.322 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 0.926 -2.588 1.546 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 17.311 6.799 -4.172 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 -0.731 6.555 18.819 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 -6.804 8.449 3.150 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 -5.811 4.934 0.788 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 0.398 24.072 -0.273 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 -7.602 -1.445 4.732 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 -4.791 -7.684 -7.705 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 -11.439 3.077 -0.973 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 -5.233 -3.692 1.041 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 -1.029 -8.097 4.152 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 -3.145 -12.078 -1.427 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 -4.444 5.049 -4.823 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 33.598 -31.951 3.303 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 19.651 -14.360 -8.009 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 0.333 -2.198 1.608 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 7.778 5.410 1.796 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 8.240 6.900 1.175 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 1.190 1.206 1.953 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 6.711 11.720 -1.877 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 15.363 -5.853 5.448 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 2.209 1.637 1.113 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 1.547 11.442 0.588 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 -8.202 0.647 -1.283 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 0.885 8.473 0.096 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 -18.408 8.180 6.837 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 15.474 7.318 0.347 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 0.639 -0.272 1.550 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 -22.020 4.076 4.228 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 11.215 7.829 17.823 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 0.271 7.155 -2.844 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 -3.829 10.447 -29.374 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 -21.019 5.311 -12.344 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 0.835 0.713 7.546 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 11.920 14.370 -4.598 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 -18.094 -6.028 17.193 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 -2.432 -1.193 -7.119 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 0.799 12.684 11.695 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 12.980 13.724 -7.036 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 -5.629 -4.184 3.448 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 -2.509 5.887 1.850 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 0.475 8.461 0.985 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 -2.810 2.386 1.739 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 -13.059 3.847 -1.159 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 -3.038 -15.759 -2.222 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 0.713 -0.141 -5.234 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 -12.454 -2.925 9.826 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 7.361 4.332 -10.381 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 -3.298 7.749 -4.647 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 10.184 -13.618 -3.596 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 27.923 8.743 16.757 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 3.342 -0.285 -1.359 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 -12.505 -3.555 -6.978 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 -0.418 8.780 -16.371 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 -2.794 -3.472 -5.454 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 14.857 -14.599 12.718 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 -5.037 2.935 -11.045 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 -1.384 -2.977 7.314 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 -6.540 3.165 -32.574 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 -6.449 -0.912 -12.530 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 -1.719 -0.987 -0.223 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 -4.087 2.315 10.839 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 7.402 -11.298 -8.083 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 -3.124 3.555 3.283 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 -11.779 -2.892 7.861 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 -9.473 -4.147 15.293 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 5.820 5.646 1.034 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 -0.095 12.059 7.892 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 6.117 4.803 2.089 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 3.588 3.608 1.892 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 14.232 14.211 15.985 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 1.234 -6.596 16.681 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 2.388 -2.205 -0.117 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 -7.870 0.212 -2.441 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 9.958 11.749 -12.368 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 7.911 6.541 -5.603 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 6.201 2.082 9.757 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 -16.337 13.617 10.196 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 1.458 4.047 -1.422 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 -23.127 18.735 -17.168 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 -6.730 -9.535 -3.846 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 0.763 2.944 -1.756 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 -3.409 -1.776 -0.125 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 19.003 11.894 2.928 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 -8.422 0.562 1.062 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 -39.424 0.862 20.123 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 12.556 1.039 -11.390 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 -3.329 -2.013 -1.284 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 10.213 -12.001 -15.624 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 5.519 31.900 -1.007 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 0.676 0.991 -2.276 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 -11.166 10.286 -1.415 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 -1.463 6.722 1.514 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 1.390 5.273 -0.132 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 -0.055 7.083 27.705 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 -5.950 1.028 -8.317 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 -2.415 1.424 -5.814 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 9.935 0.441 -9.791 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 -15.468 17.442 7.555 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 6.296 -3.087 2.050 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 4.026 9.723 -4.965 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 12.446 -8.422 2.439 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 -12.427 -3.699 -7.103 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 -13.317 -4.100 -4.244 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 -20.436 -0.393 -4.519 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 1.916 1.076 -7.621 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 -0.843 3.443 -9.269 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 2.737 7.755 -6.679 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 -2.457 -2.171 2.816 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 5.513 11.761 3.279 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 0.794 4.138 1.905 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 2.692 1.413 4.655 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 10.237 -19.970 -2.810 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 8.651 5.114 3.919 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 5.824 -6.072 -0.468 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 -5.554 -23.021 8.224 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 2.677 4.023 15.994 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 -0.761 5.268 -0.334 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 -13.266 6.595 -17.405 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 13.342 -6.943 1.074 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 -5.589 0.304 -0.435 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 -9.217 6.325 14.343 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 28.769 -2.471 2.116 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 1.042 3.413 -0.492 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 3.478 5.592 5.614 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 -2.026 -4.577 -0.071 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 3.125 -8.810 0.346 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 -15.174 4.432 -27.006 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 -14.458 -23.909 7.900 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 0.838 -2.469 -1.175 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 -9.163 4.816 -3.051 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 0.199 -2.733 -2.199 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 0.370 -5.876 5.165 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 11.022 35.179 4.384 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 -8.107 -16.853 0.450 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 0.154 -6.084 4.382 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 4.407 -9.176 6.063 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 4.794 -1.412 3.508 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 4.138 -0.435 3.214 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 24.740 6.192 6.171 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 12.525 7.126 -1.582 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 -2.147 -4.426 -1.445 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 -0.901 -15.344 -5.718 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 5.485 -5.675 2.907 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 7.827 1.977 1.193 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 6.135 22.632 -14.482 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 1.409 -16.597 -14.654 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 -3.105 -11.008 -0.807 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -0.051 -7.856 6.366 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 -5.523 -9.965 23.490 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 -0.782 2.223 -4.552 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 -1.725 -6.484 5.896 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 -7.742 1.886 -10.092 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 -3.156 4.579 -9.160 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 10.280 -5.398 -10.735 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 -15.543 -4.792 -15.402 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 -1.600 1.770 4.296 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 -1.938 13.654 -11.887 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 2.626 24.869 -24.022 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 -0.932 -5.112 -6.868 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 -5.091 -10.691 0.440 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 23.056 -21.058 6.676 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 -7.892 -4.793 -1.532 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 -16.273 -18.143 -11.048 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 4.223 15.919 -2.276 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 5.737 -3.552 -2.552 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 0.205 -5.627 -9.598 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 2.784 -4.202 0.699 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 -3.919 1.626 0.131 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 -2.418 -1.197 -3.492 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 6.961 -16.779 0.236 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 4.937 -5.362 -3.532 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 6.615 -4.143 -4.049 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 -19.475 -13.236 -14.417 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 4.165 4.887 1.178 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 0.552 16.785 8.358 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 5.753 -2.771 0.178 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 0.471 5.666 -1.239 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 -1.419 2.683 -12.430 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 -9.324 12.440 -3.277 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 -6.732 -9.114 -1.870 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 -21.574 -15.322 -0.702 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 7.400 -25.046 12.406 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 -1.420 -1.019 -2.309 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 21.024 -5.630 13.524 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 5.130 11.204 10.223 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 9.114 -0.155 -5.050 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 15.497 17.813 -7.262 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 -6.321 0.418 3.233 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 3.069 4.669 0.240 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 3.237 0.785 -5.428 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 13.464 1.064 10.267 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 -1.835 -2.381 12.650 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 -5.466 -23.510 18.756 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 -9.972 10.318 20.457 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 2.032 -3.112 3.095 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 6.210 -10.254 5.054 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 7.309 -7.601 5.074 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 -0.963 -7.540 -4.239 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 -14.253 2.934 -2.293 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 3.524 -14.604 -25.596 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 -2.375 -6.086 -0.855 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 -1.947 -2.384 3.324 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 -7.618 -13.538 -20.631 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 -0.796 -5.710 3.939 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 -3.733 5.906 2.574 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 -1.298 -1.861 9.769 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 0.576 -1.249 1.630 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 7.351 5.461 -2.396 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 6.322 1.708 -2.265 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 -6.409 -4.601 -1.181 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 -23.753 3.516 7.539 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 18.355 -7.405 14.455 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 -3.836 1.109 1.753 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 -3.531 -30.601 4.268 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 3.869 -8.719 -16.978 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 -0.469 3.575 -1.516 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 -7.318 2.048 5.243 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 -26.108 26.986 1.343 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 7.590 -4.806 -0.776 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 -12.357 12.886 2.900 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 -24.193 -0.149 -13.052 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 -3.698 4.066 -3.893 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 3.235 14.669 18.202 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 18.510 19.298 -16.108 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 3.695 -3.651 -1.449 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 12.200 3.748 -5.309 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 -5.073 20.090 -5.191 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 -0.465 3.475 -0.721 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 1.527 -6.222 -12.110 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 15.819 16.808 8.526 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 -0.157 2.331 4.678 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 14.555 -10.339 17.017 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 -5.131 16.888 -2.748 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 7.661 0.261 -2.378 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 7.958 -24.441 5.825 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 4.122 -4.082 -19.838 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 -5.517 3.967 5.045 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 -10.971 6.331 8.439 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 -6.127 -3.099 5.846 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 2.321 -3.994 4.935 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 6.328 1.013 21.288 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 -8.932 -16.970 7.465 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 4.458 -9.520 -0.837 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 -6.607 -3.104 4.175 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 -25.046 3.588 5.779 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 -0.602 5.559 0.817 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 -1.116 6.852 2.910 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 -12.863 -0.673 13.937 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 -6.933 -4.197 -1.194 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 -1.827 -10.339 1.123 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 7.749 0.672 -13.779 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 3.449 1.799 -0.442 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 -11.475 -8.178 -17.378 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 13.598 -0.696 7.082 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 -0.339 6.354 -0.452 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 -7.416 -7.193 23.983 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 23.942 22.431 -22.337 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 -1.596 0.342 3.324 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 8.350 -3.413 -2.583 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 -2.368 3.943 -7.935 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 3.295 0.862 -2.084 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 15.370 14.191 -8.384 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 -14.073 20.172 -11.897 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 -1.692 -3.643 -2.418 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 4.955 -5.513 20.196 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 1.099 0.540 2.313 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 -3.150 -4.528 -4.997 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 3.116 1.268 -16.035 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 6.703 -8.262 -30.402 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 0.605 0.432 2.546 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 -5.142 8.829 9.846 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 -0.706 -0.725 -22.335 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 -1.952 0.521 1.571 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 2.946 -2.131 -6.171 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 -14.238 1.933 29.945 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 0.367 -0.647 -3.296 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 -7.769 -4.999 -21.205 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 1.322 -0.969 1.054 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 3.885 3.371 2.819 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 -4.192 0.783 0.408 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 4.204 6.988 2.391 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 2.737 -0.786 3.955 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 43.556 -23.592 -16.053 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 -4.302 -0.802 15.369 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 -2.339 -1.586 -1.993 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 -21.252 -2.993 3.247 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 38.629 -0.059 -9.763 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 -2.000 -2.195 0.846 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 6.738 16.147 12.884 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 -21.165 -18.188 -26.451 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 -1.356 -2.452 -0.404 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 -4.344 -7.355 18.393 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 5.509 -6.896 -5.778 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 6.787 -11.997 -4.050 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 19.299 -6.793 8.048 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 -9.909 -6.133 2.958 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 4.926 -0.805 8.128 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 8.962 -2.932 7.346 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 -3.989 0.830 5.450 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 0.983 -0.218 1.856 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 4.590 -29.197 9.031 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 5.775 12.243 -14.311 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 -4.461 1.471 0.091 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 -2.550 11.555 -9.896 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 -26.255 13.279 -3.311 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 0.227 9.222 -0.155 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 3.375 14.459 -5.074 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 3.016 3.968 -0.925 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 5.796 2.512 -0.428 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 -6.319 -9.960 5.044 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 4.470 27.283 -10.901 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 4.619 0.115 6.001 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 -1.280 8.425 -2.539 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 1.769 5.513 -3.907 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 -7.339 -7.051 -2.339 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 -1.007 4.160 -10.335 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 -3.731 24.532 -5.217 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 -8.450 2.463 -3.473 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 11.244 -6.450 -30.530 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 -10.703 5.961 13.533 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 -2.315 -1.488 -7.897 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 -13.621 1.105 -8.577 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 -0.515 2.668 -11.375 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 -3.821 2.699 -4.515 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 -33.752 7.641 4.987 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 10.920 -15.001 -10.843 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 3.241 2.709 -4.934 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 1.061 7.291 -9.295 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 -2.748 -12.104 3.969 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 0.858 -0.190 -5.218 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 4.008 2.581 -2.460 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 5.209 3.535 -2.234 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 3.837 -2.190 1.461 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 -2.584 -2.068 7.592 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 -6.128 -6.281 3.183 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 -1.725 -0.385 2.039 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 -1.253 0.507 3.264 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 -1.331 -1.765 5.441 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 -4.234 2.166 5.113 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 3.791 3.193 21.938 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 -8.645 -12.675 -6.867 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 -0.756 7.443 -2.194 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 6.352 13.086 -5.759 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 -5.934 4.467 -15.619 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 -0.412 -0.293 6.274 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 -18.980 -8.509 -4.560 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 -16.907 1.307 13.411 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 2.801 8.242 -0.490 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 3.899 19.570 15.624 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 -6.633 11.796 26.538 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 -0.181 -9.706 -5.293 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 6.671 -8.322 -18.081 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 -13.246 -2.551 -5.220 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 -4.984 2.653 -5.728 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 -19.756 4.016 10.657 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 -16.012 3.472 5.106 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 -3.576 7.927 1.791 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 -10.386 8.485 -0.389 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 24.758 -15.540 -5.557 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 2.942 0.158 -2.072 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 -21.874 -38.347 -16.547 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 23.727 14.809 9.840 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 7.337 -1.537 -1.631 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 14.949 3.422 -16.753 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 -8.229 24.694 -2.260 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 -2.244 -3.969 1.007 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 25.985 17.661 -1.908 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 -7.322 1.284 -1.211 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 -0.890 -3.614 -5.722 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 6.301 -5.233 2.370 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 17.990 4.142 9.418 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 7.259 3.693 3.673 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 13.035 -4.995 -8.024 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 -10.206 15.325 -12.191 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 -0.537 -0.168 2.520 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 -8.270 2.670 4.786 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 7.915 -5.533 0.579 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 -2.188 1.490 0.305 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 14.435 21.937 43.023 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 3.510 9.197 16.065 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 -1.286 2.092 -3.776 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 2.197 5.781 -6.497 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 -4.896 7.148 -6.675 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 1.756 -5.735 -5.790 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 -4.587 -17.457 -3.440 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 -15.744 11.049 0.071 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 2.303 -6.245 -0.844 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 6.134 -8.086 -8.294 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 -5.005 2.795 14.463 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 2.856 3.095 1.033 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 3.819 -7.860 19.547 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 6.788 8.538 -1.509 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 -4.089 -4.845 0.966 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 13.822 10.585 5.205 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 17.851 1.309 6.611 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 6.318 -1.435 -2.196 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 -37.421 -14.237 15.659 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 16.004 14.314 8.443 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 5.380 -2.946 0.508 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 -2.471 -4.962 -7.937 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 14.243 -8.866 7.024 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 1.404 0.111 1.355 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 2.358 -2.262 5.105 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 2.796 -3.682 -1.213 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 -1.261 2.974 1.731 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 -21.528 6.285 16.941 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 -1.772 -22.313 -8.028 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 -2.469 -0.028 -3.311 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 3.165 -2.978 -7.427 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 -4.839 0.261 -2.169 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 1.956 -0.112 -1.819 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 1.687 -37.434 3.982 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 13.310 10.962 -19.710 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 -3.528 2.133 -5.533 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 -7.238 -32.584 9.787 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 -26.559 -13.099 12.312 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 5.145 -1.823 1.650 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 36.648 -4.733 -5.335 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 0.621 16.066 -26.565 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 2.135 -0.263 0.143 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 -1.158 -18.067 -22.095 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 5.822 -10.737 8.283 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 -0.278 -0.432 -0.204 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 7.771 -0.378 -10.458 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 -1.761 0.130 10.790 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 -13.245 -4.724 7.195 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 -20.618 15.204 -6.275 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 -9.026 20.657 18.384 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 -2.865 -1.914 7.504 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 1.605 1.313 8.114 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 11.606 -4.581 -10.758 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 -1.333 -2.298 1.455 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 10.331 -9.594 -2.634 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 0.641 -4.708 1.297 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 5.795 -0.437 1.176 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 3.717 -5.110 -9.431 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 15.767 8.102 3.875 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 -0.512 -0.004 1.456 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 21.964 7.644 -11.160 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 -0.941 0.392 0.053 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 -3.598 1.011 -8.187 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 -3.774 -1.720 -1.212 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 8.576 4.667 -12.940 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 3.246 4.016 -3.618 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 -7.695 8.070 -18.700 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 24.881 3.990 -2.271 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 0.444 -2.292 -6.003 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 -6.403 -41.636 5.328 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 4.620 1.236 -6.042 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 -5.382 -0.338 -0.491 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 -15.821 4.010 4.123 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 -1.097 -2.420 -11.321 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 2.730 -5.368 -2.273 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 4.264 -7.869 0.499 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 -12.196 9.560 -2.495 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 -2.039 6.424 -2.008 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 0.534 5.719 -1.069 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 -5.989 7.278 -2.921 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 -2.370 -7.594 0.200 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 31.252 -6.117 -12.982 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 2.522 2.275 -15.073 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 6.100 1.441 0.814 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 6.677 20.536 28.589 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 24.375 4.874 13.467 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 2.257 -4.333 5.182 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 -1.896 1.292 2.627 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 4.805 -1.836 -9.653 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 1.030 -0.890 -6.404 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 -0.253 0.828 -4.739 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 -10.319 -7.035 -11.770 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 -1.351 1.450 -9.411 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 1.333 1.257 17.545 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 25.484 -1.225 -12.160 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 -0.493 5.039 -5.012 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 -12.780 -13.991 14.282 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 -9.391 -18.131 -5.073 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 -0.470 0.322 -2.787 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 0.896 1.646 -4.326 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 -2.272 1.754 -1.374 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 -0.606 -5.090 -2.954 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 0.422 -9.482 -3.317 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 15.066 2.826 3.799 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 -2.753 1.528 2.839 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 6.456 -12.137 -9.895 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 27.835 6.475 -9.093 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 -5.673 1.809 -1.052 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 -10.809 17.756 5.192 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 3.274 -6.775 -7.203 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 4.505 1.654 -0.161 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 2.305 3.057 5.690 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 10.800 -8.799 -11.611 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 2.005 7.784 -4.125 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 -9.341 -13.872 -4.873 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 25.529 3.241 -5.583 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 2.004 -6.448 -1.302 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 -3.220 -6.253 3.178 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 1.482 -11.324 -5.168 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 -3.535 -1.963 -1.080 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 -4.880 -1.596 1.193 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 -10.025 5.516 -0.857 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 -2.104 1.547 1.344 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 -0.654 1.460 -26.172 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 -3.339 6.348 -4.375 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 -1.736 3.239 -5.245 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 -0.849 3.088 -5.582 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 2.587 7.032 8.881 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 1.031 3.932 1.170 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 2.833 -18.042 -14.896 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 1.467 6.042 2.605 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 3.457 -5.639 -3.139 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 -20.282 -18.746 -5.628 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 4.081 32.533 -12.891 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 9.552 -3.761 2.772 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 -21.723 -20.968 27.349 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 0.758 28.427 7.203 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 -5.128 -4.014 5.627 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 2.008 9.226 0.186 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 -15.320 2.501 1.210 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 -1.407 2.874 -4.276 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 1.190 7.115 -8.256 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 -7.222 6.929 -3.278 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 -2.467 -2.523 1.651 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 12.184 14.105 -9.065 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 24.385 18.567 -16.201 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 -3.589 3.300 -3.927 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 -15.562 10.309 -11.175 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 -3.970 -0.098 -0.347 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 0.004 1.180 -7.002 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 -2.091 12.270 -5.658 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 -0.458 1.061 -2.000 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 -0.023 -0.808 7.467 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 8.562 7.896 8.044 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 -4.505 2.693 1.625 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 2.002 0.349 -0.202 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 -20.434 -22.359 -52.155 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 -0.890 3.943 5.054 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 0.533 2.413 8.195 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 4.269 -13.638 -1.182 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 5.079 -28.725 -1.546 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 2.975 -4.422 -3.757 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 -18.092 -0.905 13.170 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 -9.112 8.026 1.002 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 -7.106 -1.485 -2.038 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 -10.367 -1.862 -2.295 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 -29.870 3.650 -7.213 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 -3.026 -3.035 -0.745 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 -10.121 0.295 3.738 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 -3.379 4.248 -5.991 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 1.110 -0.575 4.971 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 -11.630 16.063 -12.945 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 22.731 -28.038 -10.485 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 2.969 4.844 6.230 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 30.528 15.654 2.098 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 19.904 11.349 -1.552 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 3.885 4.132 -3.275 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 16.729 13.919 -3.253 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 -8.615 13.508 -0.111 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -7.260 4.038 -2.492 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 -2.122 11.916 -8.337 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 -32.566 -13.383 13.775 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 5.524 -0.080 0.416 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 -4.787 -13.258 10.480 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 10.597 0.744 -9.990 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 -1.730 7.054 -4.298 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 -9.589 16.235 -8.964 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 9.171 -4.998 2.728 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 -0.022 3.092 -0.725 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 -10.323 -7.883 16.555 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 1.039 -22.267 33.299 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 9.827 -3.946 -0.153 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 11.236 -1.128 -6.879 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 9.038 -4.683 2.147 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 1.064 6.904 2.158 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 16.670 10.123 6.476 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 26.969 -4.586 1.778 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 -0.491 -1.505 -3.277 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 -1.279 6.277 -2.397 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 11.543 -6.966 -2.034 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 3.984 -5.636 -2.410 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 -6.682 -0.376 -4.649 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 -1.854 1.982 -6.482 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 -1.450 -3.766 1.953 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 -6.781 -11.443 -1.550 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 4.058 -4.015 1.888 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 1.521 -2.650 -5.052 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 -1.518 7.544 -2.628 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 9.038 -15.518 -6.735 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 -2.754 0.532 -1.240 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -12.929 2.063 43.088 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 -9.043 5.479 -7.137 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 -2.901 6.502 5.153 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 -5.833 5.592 4.152 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 -5.304 4.126 3.356 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 8.848 0.634 -0.769 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 6.515 -0.338 3.679 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 0.270 2.653 -7.773 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 5.636 1.498 -4.030 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 3.922 13.113 9.084 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 -11.638 -14.801 -15.076 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 -2.115 -0.156 -6.398 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 -3.324 -4.662 -4.817 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 -0.583 12.194 -6.211 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 5.391 2.176 1.855 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 7.765 0.792 -1.190 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 9.811 2.928 -10.331 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 -4.720 -3.522 -3.744 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 1.701 -1.314 -5.608 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 7.973 -5.284 5.010 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 1.995 1.703 -2.600 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 0.800 -4.159 13.683 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 -18.481 -3.666 -7.694 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 4.769 0.689 0.092 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 11.623 4.653 -7.261 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 12.491 -1.160 7.132 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 -1.655 -0.239 0.732 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 -15.459 -23.591 -2.035 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 -9.179 -16.039 10.242 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 -0.875 3.579 -6.306 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 -7.198 0.536 7.392 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 -3.661 7.557 -15.428 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 1.052 5.440 -3.471 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 -17.289 0.625 -6.750 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 -18.429 -8.120 16.066 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 0.540 -1.765 3.791 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 -11.319 -0.774 -14.844 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 18.561 -16.373 -6.977 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 5.378 -1.931 1.379 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 -28.389 5.938 1.090 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 -5.053 8.752 0.226 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 -0.381 1.360 3.916 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 -0.735 -9.739 6.888 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 -1.590 7.790 0.276 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 2.504 3.625 1.134 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 7.801 16.092 -28.458 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 -26.456 30.079 17.205 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 -3.335 -0.788 -10.036 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 13.243 5.608 11.633 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 -11.303 2.699 -31.585 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 3.076 -7.315 6.613 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 18.047 -7.006 5.414 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 0.591 -2.449 -7.167 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 9.273 6.157 -7.618 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 17.305 22.963 -6.748 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 12.751 24.788 2.300 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 2.226 2.159 0.268 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 -5.530 -13.318 -8.407 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 -13.696 -8.496 12.742 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 4.946 -8.731 -2.453 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 -8.560 -11.267 25.808 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 0.062 -9.975 -12.909 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 -2.131 -4.332 7.860 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 5.205 3.896 19.456 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 -13.846 -5.712 -3.069 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 0.327 0.184 -3.148 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 3.247 -2.002 -4.413 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 -8.943 0.809 3.590 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 -3.172 3.800 -1.252 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 8.601 22.253 8.582 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 10.214 12.248 -0.758 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 -7.122 2.517 0.588 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 -3.840 -2.630 -1.325 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 18.852 23.255 -3.217 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 -5.398 7.500 -1.955 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 -4.532 -5.907 8.895 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 -9.052 8.338 -7.630 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 4.871 -12.154 0.232 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 -2.164 -14.962 -6.871 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 -8.244 -20.882 17.964 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 -3.053 -3.457 -2.952 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 -19.737 7.522 11.373 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 -15.517 6.179 5.455 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 0.732 -1.945 -8.878 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 -3.655 -11.120 -13.556 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 -12.669 -14.552 -10.946 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 -3.101 4.215 -3.125 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 14.123 14.342 -7.119 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 -5.843 -3.873 12.109 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 -3.846 -1.042 -0.706 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 6.637 26.652 -20.846 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 -8.009 -1.710 6.334 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 7.910 0.628 -2.077 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 -17.080 3.841 -2.059 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 22.739 -19.884 15.082 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 7.255 0.179 2.314 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 5.548 16.958 22.708 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 -11.775 -16.803 10.533 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 0.586 11.879 -7.134 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 12.934 -4.306 25.382 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 -8.980 17.087 -22.207 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 -2.806 -4.753 4.030 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 -3.352 1.045 19.809 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 5.358 11.710 -1.617 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 -3.230 3.398 2.592 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 -4.094 6.236 -2.799 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 -4.125 1.149 10.763 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 2.812 -3.729 -2.250 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 28.418 -1.092 17.265 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 -19.562 12.139 8.625 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 2.239 0.480 -1.283 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 -6.764 20.127 -5.911 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 -0.318 16.057 22.010 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 3.075 1.478 -1.755 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 5.952 4.968 1.441 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 2.011 4.749 2.261 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 -1.046 -3.818 0.452 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 -4.546 1.522 -12.667 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 -12.279 2.300 -4.141 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 -0.574 2.808 -1.192 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 -0.076 24.116 -17.677 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 -0.171 -14.919 13.086 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 -0.410 -7.068 1.646 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 8.135 -7.310 7.718 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 -4.018 20.197 -2.454 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 -3.557 2.696 -6.308 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 1.890 -12.741 -10.927 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 1.870 -3.138 -11.564 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 0.285 3.374 -0.475 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 0.038 5.021 -0.330 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 7.391 9.197 2.480 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 3.112 -1.097 -3.189 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 19.331 21.271 8.191 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 -4.185 10.775 -18.385 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 1.246 1.681 5.087 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 -8.558 14.324 34.263 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 -2.762 8.648 13.606 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 4.209 -8.878 -2.279 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 -1.425 -3.652 -9.363 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 9.018 -1.814 3.430 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 -8.594 0.235 2.083 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 8.043 3.126 -5.819 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 -10.547 18.097 0.264 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 7.903 2.279 1.272 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 8.802 -0.792 9.415 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 8.555 5.364 -1.634 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 0.013 2.280 -8.876 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 4.255 3.512 -14.006 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 -7.572 -2.459 -12.014 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 -3.562 1.648 4.354 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 0.127 2.600 2.734 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 1.040 3.753 16.896 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 4.905 -3.944 9.821 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 -9.462 14.883 -7.230 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 2.256 -31.595 -12.681 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 -1.706 -8.609 0.536 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 -21.338 -16.569 -25.050 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 -1.277 -21.348 14.712 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 -0.836 -6.097 3.370 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 5.648 10.665 3.259 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 13.149 -15.189 9.662 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -3.487 -6.396 8.141 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 16.883 -16.978 15.392 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 11.849 0.640 13.197 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 0.340 5.024 -2.196 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 19.145 -18.871 13.562 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 16.407 10.191 -8.186 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 -0.356 -3.102 1.267 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 -22.019 -9.350 5.844 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 24.720 -3.189 6.256 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 -2.428 0.358 3.235 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 -20.438 -9.480 29.727 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 17.641 6.446 3.392 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 -2.850 0.181 0.836 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 2.749 -1.105 -6.697 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 -0.474 -14.071 -13.112 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 2.553 5.005 -1.147 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 1.090 -2.823 4.350 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 1.322 13.641 -9.888 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 6.306 -3.201 3.805 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 0.774 -10.693 15.438 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 19.203 -8.960 2.671 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 3.001 -5.373 0.599 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 -17.006 -26.404 -4.354 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 21.978 0.522 8.403 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 0.300 6.621 -0.551 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 -5.300 5.358 6.703 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 13.503 10.807 -13.031 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 -5.886 -10.854 -2.996 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 -1.717 -18.241 27.571 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 -4.575 16.744 -15.940 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 0.848 1.956 -2.582 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 -22.119 14.183 14.616 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 -16.043 12.867 9.858 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 0.883 2.567 -11.691 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 1.491 3.570 0.195 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 7.123 9.658 -16.155 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 5.400 -4.148 5.365 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 4.978 -27.069 1.765 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 -10.792 -10.703 20.069 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 -0.019 3.915 -6.676 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 4.247 2.008 6.501 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 8.379 5.913 -8.774 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 9.254 0.143 4.191 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 -17.381 19.029 -1.357 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 11.071 10.074 16.067 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 3.183 -1.812 -3.898 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 -15.370 -21.281 -10.628 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 -8.604 -10.673 -12.859 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 -3.428 -0.035 1.301 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 4.705 -7.176 10.164 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 -4.874 6.159 -0.663 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 1.282 -7.792 6.590 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 -11.261 14.907 0.514 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 -8.443 -3.751 16.503 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 1.723 0.403 4.244 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 2.807 -5.555 4.478 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 -3.795 -1.096 3.546 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 -0.987 -5.094 0.929 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 -3.577 -2.428 2.309 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 -2.970 -6.001 -3.163 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 8.283 0.943 -0.811 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 -2.755 14.940 17.864 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 4.312 -5.933 -2.189 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 -9.774 4.810 -5.515 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 0.718 14.568 -1.092 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 -5.246 3.562 -1.078 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 3.014 0.501 -5.152 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 5.475 -2.103 -3.585 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 0.322 5.371 -8.820 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 1.751 -3.475 0.189 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -0.948 -9.729 13.630 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 15.620 -3.676 -1.252 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 -0.435 0.981 -3.559 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 -3.116 -10.651 8.408 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 16.570 8.863 -2.289 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 7.524 -9.968 0.684 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 2.992 -1.242 -9.761 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 2.480 8.153 -19.240 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 -5.102 -4.970 -1.276 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 -16.582 -8.139 -2.845 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 6.664 11.489 -13.562 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 -8.929 0.394 4.458 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 5.291 0.721 -2.107 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 -11.014 -0.023 -4.223 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 2.815 -3.007 3.203 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 23.914 -6.418 -6.570 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 3.317 -6.090 1.556 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 2.141 1.689 -0.301 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 -2.835 1.445 -14.921 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 5.875 -1.902 11.377 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 -7.714 -2.748 -0.418 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 -9.543 -4.199 1.811 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 -14.090 -0.247 -8.492 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 3.790 -0.020 -6.786 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 6.132 11.282 11.212 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 -20.726 1.353 -15.823 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 4.471 -0.858 2.389 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 -3.838 1.722 -0.365 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 -9.620 -4.219 7.712 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 -0.933 2.137 2.495 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 -6.872 -2.891 4.606 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 3.503 -3.273 -2.648 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 0.211 -0.604 -0.025 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 -12.408 6.683 -23.642 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 10.755 -8.313 20.452 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 7.023 -1.674 -4.767 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 8.071 -9.871 0.656 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 7.444 8.300 -3.291 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 -0.879 -2.820 2.230 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 -20.911 -8.701 -5.625 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 -26.430 -21.789 -21.908 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 1.726 2.525 -6.444 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 -7.629 -4.235 0.575 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 -17.873 29.825 -22.228 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 -0.990 -5.862 -1.026 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 0.138 -20.572 -1.674 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 9.797 -2.291 7.029 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 -3.709 3.831 -3.194 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 -3.008 -20.074 2.331 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 -5.808 -10.954 -11.445 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 -5.760 7.994 -1.399 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 14.866 0.031 -4.889 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 24.588 -2.594 -5.237 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 0.552 2.416 3.008 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 6.944 7.329 -4.572 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 0.672 2.683 18.264 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 1.968 -7.348 -3.624 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 7.175 -11.503 3.101 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 0.948 -7.877 -16.739 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -3.925 2.261 -2.478 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 -6.646 1.786 -2.601 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 -15.580 7.725 -8.578 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 3.548 -8.710 4.591 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 16.882 17.653 -26.892 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 10.029 20.561 -4.268 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 3.924 -1.872 4.228 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 -8.251 29.563 -0.628 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 -11.324 -16.323 -0.799 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 -1.069 -1.238 -3.497 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 -9.246 -2.459 -8.209 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 -5.462 -3.925 -16.250 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 -6.309 -0.354 5.633 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 15.214 -8.880 -14.737 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 13.405 -28.619 -27.895 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 -1.598 -2.177 0.642 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 9.040 -6.170 9.122 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 4.167 -0.427 -12.333 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 -3.884 -0.302 -3.431 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 12.551 4.317 32.068 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 0.315 -14.954 -11.026 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 0.326 4.536 0.445 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 2.822 8.244 -1.289 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 -1.701 4.915 1.972 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 -3.225 -7.049 1.037 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 1.303 -4.849 -0.192 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 4.807 1.360 -30.951 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 -3.718 -7.300 -7.827 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 -15.407 -19.623 -1.169 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 -9.158 -8.434 -14.783 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 -0.613 -1.080 7.727 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 2.295 -6.606 11.207 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 2.175 -13.636 33.755 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 4.288 -6.506 0.845 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 5.430 -2.020 -0.585 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 9.719 -8.022 -4.109 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 0.426 2.593 3.302 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 -20.883 -14.238 4.946 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 6.737 16.872 9.778 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 6.446 -7.107 0.917 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 -9.103 8.106 -3.152 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 -2.472 -26.766 -10.662 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 -6.054 5.774 -3.977 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 -4.774 -4.038 -3.027 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 -15.627 8.581 5.501 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 4.010 1.317 -4.209 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -13.435 9.041 -3.834 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 1.852 4.729 -1.779 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 -5.080 1.513 3.279 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 -3.716 -2.455 6.562 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 -17.285 0.593 10.604 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 8.119 -2.573 1.863 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 7.227 0.180 -6.789 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 2.911 -2.626 -9.220 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 5.253 2.012 4.621 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 -1.695 -19.539 -8.457 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 10.021 22.619 3.585 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 -1.032 -1.889 -4.574 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 -15.463 0.244 -5.624 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 1.446 -2.943 -3.165 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 -2.565 6.305 2.733 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 -4.008 19.866 8.785 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 -22.270 -3.789 9.239 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 -1.885 -2.392 0.900 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 -1.746 -1.660 0.907 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 1.277 -0.749 0.464 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 2.131 -0.944 -2.293 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 18.243 -8.136 -12.372 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 -11.519 4.882 0.854 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 -5.692 3.533 1.546 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 -1.270 7.828 -8.348 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 -4.377 2.016 4.348 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 -0.670 9.509 -4.434 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 5.583 15.365 0.278 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 -5.143 33.067 6.644 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 -0.283 0.097 0.143 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 6.285 -1.926 -23.597 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 -18.885 12.956 -11.157 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 0.520 -0.167 6.917 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 3.101 -3.947 13.575 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 7.191 -5.547 -1.278 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 -3.733 -1.720 3.327 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 8.545 -0.799 12.760 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 -7.487 19.726 16.370 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 -0.600 -3.996 2.631 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 12.961 -3.408 -4.837 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 3.915 -12.208 3.287 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 1.176 -8.222 -1.618 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 -18.959 -8.500 -15.134 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 -5.343 -7.368 -6.592 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 0.362 0.145 1.649 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 9.336 -16.717 -4.689 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 12.497 -15.516 -4.861 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 1.496 1.504 -5.647 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 6.763 -8.901 -0.195 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 -9.573 0.950 -0.606 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 5.121 -0.962 4.640 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 -6.477 -3.577 -4.669 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 8.647 11.158 5.167 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 4.362 -4.189 -4.022 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 -2.635 1.743 -0.022 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 -9.990 10.859 2.446 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 -1.713 0.207 -6.320 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 -3.744 -4.537 -13.664 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 12.869 -11.183 18.286 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 -1.558 3.549 -4.578 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 -21.998 8.790 -1.933 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 36.001 -0.033 -33.228 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 5.407 -1.062 3.077 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 20.663 21.877 5.214 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 -9.302 -0.525 13.248 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 4.110 3.287 -4.198 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 6.871 2.651 5.469 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 2.352 -3.114 2.149 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 -4.498 -8.584 4.787 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 6.996 -0.822 14.446 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 -12.461 -4.753 16.959 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 -2.411 1.517 2.168 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 8.185 10.981 1.295 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 -20.124 -20.319 -7.097 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 -4.757 -1.587 -1.869 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 8.692 -3.323 -3.432 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 3.427 -4.473 -19.317 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 -1.730 -0.560 0.170 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 19.691 9.141 13.196 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 -1.640 3.011 -5.474 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 0.259 -2.466 -3.344 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 -0.970 8.907 0.689 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 -3.952 -2.791 -14.964 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 -9.295 1.313 -0.025 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 -13.438 -10.010 12.405 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 -7.835 7.073 -6.344 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 -10.380 -3.554 -4.913 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 23.878 -18.472 9.776 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 -11.267 -2.469 -1.218 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 3.921 1.517 -0.039 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 -12.532 2.181 -3.060 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 7.364 11.455 -10.523 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 -0.550 -3.726 -1.543 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 2.759 -10.841 -15.609 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 -4.025 -7.387 5.049 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 -0.385 2.025 1.604 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 10.042 3.241 4.426 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 7.854 8.009 0.011 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 -10.079 -4.732 -2.140 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 -4.764 -6.234 -10.362 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 -3.778 -1.105 3.606 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 -3.740 1.407 -1.062 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 -10.805 19.532 0.031 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 1.971 -7.406 12.636 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 1.490 1.006 0.930 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 -14.908 7.011 19.771 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 -0.553 -22.993 -2.782 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 5.014 -3.096 -1.690 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 2.463 6.069 18.115 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 0.060 -16.271 -23.947 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 1.415 -4.477 8.593 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 6.437 0.648 -7.163 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 11.760 -11.926 10.473 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 -1.725 4.284 0.844 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 27.379 -3.248 16.314 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 -2.046 -13.750 -23.822 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 2.171 0.234 2.678 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 16.892 -14.572 4.971 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 -10.213 4.872 1.827 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 3.207 6.988 -6.908 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 -6.368 -12.877 12.889 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 -4.504 6.425 -23.887 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 0.170 7.967 -3.989 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 -1.966 5.745 9.264 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 0.394 6.263 13.120 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 1.051 2.683 -2.181 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 2.754 18.372 -23.871 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 7.382 -38.260 6.692 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 2.507 3.511 -1.592 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 7.411 -5.814 1.542 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 -0.951 0.853 4.148 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 2.218 -1.671 -3.975 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 -6.438 -5.932 -21.532 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 -6.758 10.039 4.539 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 -2.765 0.742 5.131 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 -10.727 24.813 1.707 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 -5.400 -8.287 13.130 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 4.991 -0.532 -3.924 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 3.560 -6.347 -7.493 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 11.282 12.183 -5.990 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 0.697 -1.177 3.064 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 -7.017 -28.088 -7.225 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 -3.494 -9.760 0.683 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 6.537 2.541 0.150 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 11.232 1.052 -39.809 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 -1.474 -0.595 19.405 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -5.313 -4.545 4.815 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 -19.583 16.417 -2.083 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 12.860 -5.852 -16.446 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 2.803 5.120 1.724 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 3.344 13.185 -10.300 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 0.815 -1.658 -0.518 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 2.305 0.847 -0.053 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 18.729 15.927 -1.211 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 2.365 -13.308 9.783 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 -2.698 -2.577 -3.902 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 -5.191 3.320 3.194 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 6.457 -11.275 -27.307 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 4.953 2.558 -0.785 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 -6.479 -8.042 15.464 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 -18.556 16.801 -28.330 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 6.716 2.696 3.639 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 18.124 10.475 -17.846 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 0.906 1.002 5.534 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 -1.979 -0.270 -4.111 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 -16.122 0.318 -6.260 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 10.083 5.211 11.301 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 3.925 -2.726 -0.068 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 3.620 -4.038 -13.260 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 0.427 -6.548 6.935 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 -7.457 5.524 -4.386 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 -2.021 14.213 -13.498 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 -15.039 -4.317 -6.692 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 -0.851 2.973 -0.737 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 0.681 -8.309 1.539 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 -14.648 10.357 -2.514 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 5.472 0.423 -3.224 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 -12.423 -12.160 3.998 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 21.648 -3.559 -7.568 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 -3.371 -0.433 5.554 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 4.920 -4.209 -20.812 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 1.300 -2.073 -9.544 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 0.549 -0.618 3.977 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 -0.987 -9.625 -19.235 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 -0.876 -5.714 -7.198 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 4.364 -5.938 2.730 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 0.694 -3.215 -2.837 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 -0.624 -1.222 -3.138 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 1.004 -6.011 5.248 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 -2.228 19.229 23.004 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 -0.546 -38.043 15.923 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 5.347 5.654 -2.219 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 -32.961 -8.926 25.541 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 10.059 -14.884 -14.918 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 2.818 -5.164 0.752 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 1.055 -4.585 0.388 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 7.955 -8.309 -8.437 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 -2.439 -5.129 3.786 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 18.826 -15.936 14.127 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 -30.997 14.698 -1.606 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 -1.643 -3.131 -4.246 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 -6.006 -4.626 1.538 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 4.273 2.457 -1.963 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 2.023 -2.022 -1.072 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 -0.741 -32.721 -9.811 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 -2.952 -16.965 23.415 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 0.914 0.674 -9.664 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 6.686 2.381 -6.458 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 8.642 -5.157 -16.014 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 -5.117 -0.604 -3.107 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 -6.583 1.208 -6.810 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 4.380 -10.381 -7.785 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 1.793 -3.599 1.881 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 -5.517 -11.437 2.122 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 5.149 -2.732 0.283 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 0.250 -2.259 -4.612 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 15.279 -2.777 12.309 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 -22.237 16.944 -12.168 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 -2.967 -0.314 0.934 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 -0.496 -13.651 12.282 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 -9.762 14.110 -5.878 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 -0.102 -5.316 -0.969 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 -7.486 -6.250 8.510 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 4.107 -5.891 -13.311 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 3.332 2.188 -0.655 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 -17.173 -22.140 -21.959 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 2.851 20.753 -8.645 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 3.072 -1.148 -1.109 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 13.422 -6.080 -2.456 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 8.961 0.357 -15.074 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 3.676 -5.710 -4.064 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 -21.393 -36.518 14.077 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 -37.288 27.307 -7.290 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 3.374 -2.892 -4.227 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 0.736 -8.157 7.893 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 14.310 0.208 26.634 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 2.264 3.367 -1.385 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 8.222 9.196 -9.095 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 -8.593 -1.697 7.893 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 1.855 -7.088 -7.104 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 -8.122 3.689 1.195 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 19.886 -10.367 -8.815 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 -2.824 -1.815 4.910 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 -6.013 19.641 4.186 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 -4.567 -31.522 22.864 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 5.272 -7.403 1.609 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 -4.149 6.728 -0.962 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 3.812 -15.693 19.177 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 -2.616 3.667 0.833 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 -2.943 -7.203 10.958 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 13.319 15.999 -9.215 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 0.256 1.669 -1.676 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 5.919 23.747 13.938 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 0.610 8.832 2.708 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 -2.796 4.643 7.735 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 5.302 10.518 5.153 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 4.415 -0.289 14.662 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 -4.284 -4.669 -0.915 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 -1.866 -3.050 4.269 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 -2.065 -0.798 -4.184 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 -4.090 5.187 1.648 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 1.249 -6.025 7.958 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 -4.901 -2.334 10.785 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 -3.856 -0.537 3.814 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 11.061 -1.882 -6.981 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -10.491 2.483 -5.605 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 -4.125 0.174 2.590 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 -7.588 -6.360 -20.746 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 -6.748 2.246 10.433 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 -6.430 -2.236 2.888 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 -5.036 -6.592 1.231 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 -14.533 -16.502 0.533 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 3.323 -3.560 4.033 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 -25.130 -8.068 3.713 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 0.014 -4.821 4.038 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 2.966 4.505 -2.823 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 31.170 -5.733 -8.690 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 3.054 -10.761 -27.806 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 -3.855 -0.316 1.842 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 -4.491 -18.397 9.124 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 1.873 -17.226 -3.260 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 1.252 -2.525 2.584 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 -3.670 -0.744 4.366 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 0.467 -6.043 0.857 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 -4.345 -0.571 -4.632 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 -12.486 -15.328 9.494 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 -2.209 -1.570 14.503 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 -5.980 -1.894 -6.258 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 -6.221 -0.956 -24.886 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 5.668 -5.103 21.411 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 3.867 -1.771 6.053 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 0.343 -8.603 -12.892 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 -18.505 25.212 10.431 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 1.291 5.319 3.299 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 -6.417 -6.897 -10.400 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 -13.271 -15.200 -19.370 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 8.542 1.738 2.082 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 -8.468 29.029 -7.645 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 -4.560 -20.193 2.652 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 3.401 -3.724 2.347 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 -9.546 -3.686 1.858 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 15.786 -13.875 8.482 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 -2.204 2.837 -3.281 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 22.252 -3.468 -9.063 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 -31.297 -32.038 9.886 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 -0.128 -4.463 -0.537 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 -1.346 0.829 -16.382 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 9.652 -11.024 17.857 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 1.342 3.427 -3.095 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 -9.435 5.135 -6.102 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 3.105 -6.433 0.364 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 1.914 1.349 1.253 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 17.933 -17.562 5.014 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 -1.725 3.367 -1.572 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 3.138 1.097 1.111 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 8.962 -2.294 -2.164 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 0.042 2.741 -5.730 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -4.232 6.870 -4.245 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 -5.228 -13.773 -12.536 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 -11.309 11.995 -7.040 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 -3.812 -2.204 -8.044 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 -15.911 -5.750 6.743 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 1.772 -19.871 0.985 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 1.106 0.321 -9.601 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 -3.761 8.026 12.762 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 5.853 -1.761 -19.651 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 -8.924 -1.291 4.417 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 -11.217 17.455 -11.555 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 2.675 19.061 11.236 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 0.207 -5.434 -0.876 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 -2.572 -3.638 -10.762 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 -0.110 2.344 3.526 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 5.850 1.866 -3.098 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 1.305 -25.692 24.156 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 2.300 4.046 -2.003 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 1.742 -0.982 3.209 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 12.360 24.116 19.700 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 -7.821 -12.432 2.102 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 8.917 -2.529 -4.627 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 4.010 -11.411 -6.695 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 15.994 -1.572 -12.761 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 3.788 -1.746 0.667 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 0.585 -1.047 1.611 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 6.047 -6.514 -0.350 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 -2.208 4.775 2.419 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 14.691 -7.662 -1.851 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 13.577 -9.957 2.893 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 -7.034 -3.025 6.626 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 3.814 -5.048 -3.897 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 -11.885 2.721 16.441 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 1.618 -1.450 4.750 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 -12.115 10.614 4.509 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 10.444 -3.369 7.383 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 -3.866 5.270 0.160 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 -3.695 7.162 -2.416 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 13.153 -7.279 21.619 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 2.088 0.360 -1.507 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 -22.966 8.587 -13.735 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 23.915 2.932 14.617 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 -0.235 0.802 0.949 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 -12.512 -25.493 1.481 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 6.352 14.698 0.349 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 -7.704 1.967 -3.577 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 -13.541 5.461 -22.010 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 -11.161 -12.319 -4.056 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 7.562 0.753 1.188 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 20.625 -6.169 11.196 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 -5.267 -6.373 9.590 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 3.346 2.624 0.094 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 24.201 5.093 -2.082 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 -13.253 -0.670 -1.122 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 -5.220 -4.759 0.945 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 11.173 -3.054 -5.745 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 -16.125 -21.807 -0.965 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 0.845 -1.186 1.040 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 13.987 -4.645 -2.101 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 -7.242 9.596 25.902 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 -2.084 9.812 1.424 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 -0.262 7.711 -5.149 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 19.083 5.561 -16.031 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 -0.538 7.761 2.351 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 0.542 4.168 6.173 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 1.110 0.705 14.706 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 1.516 -4.102 1.098 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 6.898 8.696 -6.567 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 16.424 -19.526 -2.449 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 -3.308 2.186 2.847 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 4.938 -9.242 5.661 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 0.684 -9.870 7.081 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 1.381 -1.275 -0.430 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 2.791 5.917 5.527 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 -7.234 -3.672 3.444 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 3.991 -2.486 -0.703 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 20.840 10.486 -19.802 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 5.315 4.663 17.472 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 5.283 -1.003 0.926 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 15.306 -23.844 8.714 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 -6.248 0.173 17.355 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 -0.682 -6.024 8.806 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 -16.680 -26.923 9.299 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 18.092 23.601 -5.766 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 -4.979 3.962 -4.594 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 -3.990 4.317 -4.870 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 9.202 6.988 -24.661 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 -1.138 -0.577 -2.468 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 9.439 -2.471 -3.705 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 9.074 11.901 10.245 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 -1.187 -2.366 4.094 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 -2.964 -11.625 -1.506 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 9.181 -2.329 6.487 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 3.211 -5.835 1.171 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 11.495 -13.863 7.453 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 7.449 -6.478 1.725 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 -4.694 -0.177 -1.644 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 -6.844 9.526 12.003 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 5.750 -10.194 0.308 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 -3.405 1.782 -3.789 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 -8.536 8.272 -18.309 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -0.319 -1.335 -10.234 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 0.745 6.924 -5.990 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 -1.068 2.289 -6.122 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 2.112 -22.450 14.415 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 1.147 3.693 -3.447 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 -1.953 -7.322 -22.609 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 0.225 22.036 5.346 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 5.867 1.151 -2.546 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 -29.292 -2.046 9.317 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 0.364 -17.530 10.595 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 -0.265 -6.191 -0.400 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 8.777 -0.233 -6.332 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 2.552 -8.718 -5.240 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 -2.600 3.405 -0.358 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 14.673 -3.023 -3.257 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 3.768 1.188 -1.800 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 8.947 -1.343 -5.332 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 -0.707 -14.936 -8.174 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 14.674 14.064 13.483 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 3.799 -1.770 -0.539 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 -13.573 -14.786 -24.685 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 -0.791 -5.865 -7.109 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 -4.568 5.037 -0.970 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 1.695 19.227 5.733 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 -0.828 -10.828 6.088 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 -4.908 -3.841 7.041 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 -10.620 7.540 -2.924 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 0.362 3.277 23.929 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 -0.857 3.917 -5.630 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 6.339 -3.106 -14.051 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 8.594 6.359 4.717 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 4.248 -4.511 -1.782 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 4.267 11.271 -5.506 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 -1.210 -6.087 12.664 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 -5.305 -4.914 -6.304 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 4.260 13.712 10.028 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 9.382 9.382 -12.385 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 5.123 -4.063 2.333 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 3.165 -16.814 -16.041 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 5.799 -1.834 5.145 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 8.937 -4.233 -2.743 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 -1.457 16.585 -10.995 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 -18.918 3.397 -20.037 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 -2.891 -1.630 -2.434 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 -11.762 -6.188 20.462 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 16.348 20.197 -20.492 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 -2.112 3.607 -1.449 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 4.121 9.189 -14.970 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 -6.027 16.513 7.400 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 1.384 0.792 2.676 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 -4.159 -3.472 12.941 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 -18.208 14.855 0.016 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 1.988 1.053 -2.479 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -0.552 -7.307 -10.213 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 6.656 4.456 3.604 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 7.071 5.570 1.739 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 11.965 -3.728 -11.127 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 6.718 1.293 -13.382 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 -4.430 -1.858 -0.950 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 -16.245 -14.803 3.943 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 -2.388 7.166 -4.485 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 -3.313 -4.197 5.930 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 -18.460 -2.962 -1.645 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 6.208 10.716 8.328 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 4.070 3.995 -1.457 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 -3.583 7.774 11.763 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 17.424 12.340 -1.568 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 3.299 1.869 -2.086 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 4.590 -1.620 -3.329 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 7.464 10.428 5.441 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 -2.182 -2.278 1.660 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 -10.861 2.666 8.140 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 4.609 -2.730 8.673 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 -3.676 6.451 0.845 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 -8.271 3.233 9.090 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 -26.991 -2.358 12.792 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 -2.750 -2.338 -0.414 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 -33.569 1.152 6.801 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 -11.034 -0.337 4.841 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 3.973 1.670 1.478 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 -0.643 -1.075 -0.690 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 6.548 -13.440 -12.152 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 0.228 0.101 0.775 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 -25.282 18.731 7.657 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 -5.381 16.002 -4.582 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 -7.619 -3.830 -1.908 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 -7.152 4.368 -2.165 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 8.712 -6.655 4.254 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 0.099 4.932 5.162 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 -5.218 18.269 9.320 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 0.292 7.775 5.140 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 3.125 -4.740 0.807 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 -5.750 8.796 -15.967 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 6.401 9.509 17.704 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 -0.454 -9.062 3.147 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -9.334 -5.546 8.307 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 15.593 -21.491 -4.868 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 -2.595 -0.350 3.707 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 -8.785 -9.225 -5.672 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 6.084 -0.368 6.979 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 1.225 1.058 2.547 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 -3.539 -2.211 1.764 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 3.427 -0.072 5.877 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 -2.459 -2.663 -0.922 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 -15.290 1.186 2.232 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 14.492 -9.566 -4.399 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 4.994 -0.160 -5.800 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 -0.862 -9.894 2.322 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 11.022 9.490 -14.299 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 0.413 5.345 1.598 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 2.499 18.231 4.610 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 -14.719 6.713 -17.223 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 2.130 -1.350 0.619 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 -2.419 25.814 5.340 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 16.288 -6.965 23.991 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 2.532 3.702 2.735 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 -1.374 -0.235 -6.654 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 -1.412 8.975 2.361 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 0.422 3.285 -3.660 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 -2.613 16.675 -5.570 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 1.424 -8.815 -1.770 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 2.559 -4.563 0.984 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 -12.838 12.722 -13.682 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 -10.706 14.592 7.429 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 5.588 -4.788 -9.557 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 -9.478 3.310 -3.930 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 -12.919 8.116 -6.547 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 -4.906 -3.424 2.632 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 -3.137 8.666 -14.261 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 14.836 16.113 9.448 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 0.334 -0.301 -0.474 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 5.590 20.921 -2.629 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 7.669 -2.395 3.304 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 -15.429 3.847 -1.611 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 7.984 -12.333 -18.507 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 -18.148 -0.463 4.397 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 -2.174 4.770 -7.481 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 -18.057 -1.503 10.966 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 14.395 -13.619 -0.478 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 5.154 0.428 3.688 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 32.154 3.539 10.832 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 6.749 8.783 -19.529 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 0.058 2.821 3.433 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 20.761 10.914 -3.666 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 -2.837 2.189 0.945 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 -0.409 5.476 4.591 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 -10.581 6.733 11.451 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 1.771 -2.170 11.354 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 4.548 -4.142 1.466 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 -4.232 0.932 9.010 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 11.796 -9.958 9.257 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 -4.417 -2.647 -0.459 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 -23.679 -12.254 3.801 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 9.033 -12.538 3.903 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 0.178 0.594 0.637 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 -15.711 0.739 -6.387 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 -9.583 -3.127 -0.468 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 -10.824 -6.152 2.116 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 13.488 -18.075 -1.784 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 19.090 10.562 11.963 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 -1.331 4.170 2.276 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 2.031 25.806 16.716 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 17.129 14.322 -1.984 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 0.839 5.504 -0.276 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 14.075 6.681 -19.259 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 29.803 6.767 23.259 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 -0.938 1.901 4.652 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 2.049 12.078 21.223 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 9.243 8.435 -28.333 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 -4.255 -5.819 0.838 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 -27.141 -1.100 19.942 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 -28.717 -30.926 1.301 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 0.536 2.237 -6.584 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 3.662 6.394 -0.012 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 -8.902 2.404 -4.605 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 0.334 0.456 0.812 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 4.301 7.018 -6.287 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 3.096 -4.340 -7.220 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 -1.754 0.632 3.648 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 -9.204 11.384 -4.123 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 -12.750 8.840 -7.077 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 -0.112 -3.292 3.487 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 10.491 4.433 4.665 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 -2.770 -12.992 4.834 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 3.120 -0.948 -4.019 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 7.707 -4.344 22.759 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 5.630 -20.091 -24.506 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 -0.608 0.536 -2.699 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 -1.569 4.973 -21.522 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 -6.310 -0.741 9.127 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 3.958 -3.960 6.279 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 -30.831 -7.909 -9.625 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 -6.874 -16.596 16.947 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 6.349 -2.491 3.411 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 -11.554 -45.475 2.215 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 7.214 1.158 3.614 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 5.230 -2.545 1.335 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 7.331 4.419 -15.693 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 17.969 5.025 10.374 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 -1.237 5.842 1.146 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 -2.971 24.171 -16.719 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 -21.574 -13.475 -4.007 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 -6.692 -3.027 8.081 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 -32.315 7.298 7.361 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 11.596 -9.863 3.073 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 -2.041 2.210 3.939 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 -2.585 4.756 -5.267 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 18.027 -20.875 1.948 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 -4.284 -0.254 0.204 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 1.916 -14.939 -12.676 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 -34.642 -8.746 14.199 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 2.468 -3.454 0.157 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 -3.013 7.908 -17.001 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 13.248 14.018 -21.128 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 6.428 -2.707 1.582 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 -1.806 2.573 -1.892 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 27.187 -8.019 12.032 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 -7.428 10.691 0.515 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 -0.092 14.497 -2.663 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 7.221 -20.372 -12.500 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 9.559 2.232 0.819 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 13.738 8.346 11.689 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 7.111 8.972 15.374 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 -5.403 -2.681 2.666 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 -0.953 7.082 -8.531 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 7.034 8.562 -5.158 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 -0.577 -1.055 0.830 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 4.164 9.894 6.609 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 2.254 -2.953 -0.006 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 -1.552 1.131 5.283 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 8.099 0.600 -19.840 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 -38.322 -5.515 -9.025 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 -0.479 6.043 2.925 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 -1.023 -0.101 -5.122 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 -0.826 6.286 7.288 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 -2.275 2.415 6.599 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 -22.156 20.567 18.297 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 -8.830 -1.620 -11.865 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 -1.303 3.465 -0.215 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 -6.844 -5.392 -3.341 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 1.556 6.407 0.907 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 -2.589 -1.084 5.012 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 17.022 14.848 -8.750 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 -2.020 -13.564 -13.746 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 3.350 2.092 1.141 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 19.344 -21.690 -20.662 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 8.897 0.721 9.128 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 -2.897 0.343 0.643 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 2.395 9.984 4.471 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 -0.953 33.536 -7.864 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 -6.933 -5.264 -2.016 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 21.338 -2.942 12.509 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 -21.707 22.730 7.263 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 5.641 -4.097 1.826 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 15.861 5.777 3.078 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 -5.119 -1.499 11.202 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 3.727 2.178 0.401 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 -10.404 10.606 8.702 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 31.341 -9.856 -16.393 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 3.031 1.305 -2.744 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 23.176 14.890 -10.552 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 -9.270 32.301 6.815 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 -2.621 3.750 4.648 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 2.165 18.724 24.121 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 -4.833 8.037 10.288 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 -5.830 -2.652 6.159 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 -22.201 0.592 16.552 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -2.136 1.741 14.502 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 -0.608 -6.621 3.888 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 -13.281 -2.228 17.896 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 18.349 12.103 7.808 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 4.272 -2.923 3.802 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 -16.921 -14.068 -9.391 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 0.325 1.598 -2.470 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 -0.416 -1.949 0.556 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 -7.426 0.422 5.588 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 -5.022 -15.495 -7.279 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 -4.994 0.618 -3.464 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 -8.532 2.841 -7.877 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 -1.403 -7.754 13.325 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 3.612 -3.389 5.577 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 12.178 -20.998 21.973 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 -15.670 10.818 -1.862 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 -2.245 9.239 8.219 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 4.289 2.937 -10.314 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 -20.487 2.366 9.020 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 1.722 -0.546 -4.557 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 -6.813 -1.444 -1.133 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 17.487 1.147 -11.030 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 2.374 6.140 -6.139 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 -21.408 6.987 -7.912 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 31.446 0.709 6.941 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 -1.033 1.207 2.005 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 17.456 -7.207 -4.807 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 -27.480 -1.100 -24.232 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 -0.719 -3.825 0.234 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 1.547 -0.035 3.182 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 -3.324 8.708 1.142 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 2.522 -1.031 -3.414 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 10.026 -19.768 -4.210 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 11.290 7.137 -11.623 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 5.697 1.818 5.121 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 -3.232 -6.716 1.322 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 -5.133 7.434 14.014 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 7.105 -3.004 -0.713 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 12.061 16.443 13.162 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 -13.476 -17.210 9.671 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 -4.281 -0.258 2.013 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 -10.699 -4.317 3.899 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 -7.796 25.373 -2.343 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 3.770 -0.711 0.407 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 -3.233 -25.717 34.042 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 -0.624 35.482 22.085 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 -1.577 1.363 -3.900 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 -9.223 -1.957 -2.319 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 11.288 4.126 6.257 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 4.461 5.917 -0.394 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 5.627 9.259 -2.798 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 9.524 23.682 -6.767 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 -1.292 -8.832 0.902 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 -0.293 -10.567 0.076 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 0.239 -24.421 22.738 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 -0.139 2.577 -4.755 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 -1.030 -1.576 -4.457 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 -3.416 4.661 -5.608 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 6.219 -4.896 0.363 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 -11.651 11.874 -21.156 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 -11.117 -6.869 21.412 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 0.172 -1.659 -2.040 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 -1.111 -9.126 5.104 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 -1.643 -0.824 -2.218 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 -0.534 0.989 1.264 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 -13.282 1.286 -1.008 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 1.304 13.699 15.129 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 3.430 6.788 2.013 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 3.830 5.879 -11.092 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 4.660 -18.123 -12.845 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 -1.080 3.092 -2.019 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 -3.508 11.108 3.649 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 -2.340 7.253 1.882 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 2.492 -3.885 -1.331 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 5.116 -5.317 -10.887 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 4.194 -6.728 23.829 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 -2.211 -0.142 -1.839 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 6.667 9.051 3.563 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 -13.651 6.799 -2.054 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 2.150 2.424 -4.301 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 -26.902 7.752 -8.042 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 11.534 -13.722 -3.330 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 -7.361 -1.571 1.568 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 -14.475 -2.923 4.080 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 5.139 -6.201 -4.295 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 1.797 2.344 -3.567 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 -5.174 -5.849 -6.661 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 -1.014 -8.341 -15.185 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 -3.534 -1.002 -3.278 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 -1.709 -10.618 -18.878 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 -3.964 2.608 2.531 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 2.297 -5.423 -1.129 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 -17.111 -9.452 23.735 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 -31.008 8.634 21.159 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 3.249 -1.634 -1.497 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 -18.691 2.779 26.290 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 -0.124 -32.187 -37.969 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 -2.104 -0.068 1.207 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 -4.080 7.312 -9.999 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 -3.961 8.739 -15.042 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 0.860 -1.669 7.692 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 -5.440 3.684 25.441 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 15.701 -19.737 4.026 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 1.522 -1.195 3.386 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 -1.129 -3.494 6.084 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 -0.972 -6.724 2.146 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 -1.790 -7.007 9.782 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 -0.649 3.080 -9.559 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 -30.743 5.827 -6.116 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 2.100 6.487 -2.454 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 -13.427 12.484 -8.681 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 4.812 3.885 -1.213 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 -1.263 -5.520 1.096 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 0.734 4.537 -4.508 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 -3.393 2.301 2.846 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 1.361 -5.182 -4.098 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 4.938 -11.491 -10.638 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 8.393 -0.471 -11.444 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 3.309 0.979 -0.909 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 -0.933 9.846 -27.969 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 0.543 -4.282 12.752 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 -3.441 -6.028 -2.985 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 -16.444 4.987 -6.719 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 26.797 -29.453 -10.957 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 5.738 -0.757 -0.104 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 22.395 16.229 19.639 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 9.211 -4.122 -10.885 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 4.898 1.907 0.979 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 -43.627 -20.281 4.800 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 19.051 9.053 -18.004 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 2.879 -0.348 -1.684 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 7.289 -6.738 -2.040 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 11.236 -9.243 8.475 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 -4.754 -6.727 2.094 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 -18.319 -9.442 0.794 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 -2.468 3.027 -7.117 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -0.981 5.553 0.100 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 1.641 4.060 -1.219 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 4.388 5.548 5.954 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 -6.586 -8.965 -1.957 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 -10.851 -5.052 -0.976 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 -27.706 5.567 9.191 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 -0.649 -0.187 0.645 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 6.458 5.009 -0.855 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 -2.795 13.619 -9.199 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 -3.071 2.072 -4.770 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 -2.758 -3.674 6.775 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 -9.726 15.608 -10.879 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 -4.158 3.534 0.497 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 -4.021 -0.966 3.358 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 16.880 1.892 4.492 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 5.081 0.546 -2.394 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 -12.712 -5.475 -7.108 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 -3.799 -2.510 -6.337 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 2.378 -4.865 -3.848 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 -7.161 3.660 -2.894 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 -2.008 -14.944 -8.333 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 8.576 -0.109 -6.986 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 3.504 2.392 -0.778 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 11.908 11.943 3.576 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 -1.295 -2.208 -3.319 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 12.881 -1.585 1.487 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 -9.362 -13.407 8.575 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 7.302 1.664 4.259 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 4.549 3.119 7.389 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 2.600 -11.926 4.229 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 -2.406 -4.557 -3.834 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 -32.156 -7.662 35.339 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 25.061 -6.936 -4.717 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 0.819 -5.126 6.052 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 -21.867 0.618 -13.806 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 13.080 16.488 -3.579 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 4.170 2.763 -1.035 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 -4.906 5.434 -6.326 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 -0.839 0.651 -6.383 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 1.758 -8.022 4.336 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 4.698 -4.315 -17.665 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 17.168 -10.667 -6.099 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 2.315 1.662 3.484 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 3.318 20.399 4.985 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 -13.322 -8.649 31.240 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 2.799 2.074 3.455 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 -12.169 3.979 -0.076 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 5.889 -15.463 2.398 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 2.419 -2.332 -1.915 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 12.861 5.343 2.310 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 10.726 2.466 4.861 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 1.808 1.629 -0.700 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 4.026 16.616 17.482 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 14.827 20.333 -16.872 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 -1.454 -2.846 -2.749 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 0.045 2.531 -1.002 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 -7.086 1.968 14.610 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 -5.936 0.454 -2.668 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 -2.537 -22.084 6.910 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 -7.151 7.665 -3.480 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 -2.498 4.039 3.794 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 22.127 -10.595 8.088 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 11.834 5.620 -16.080 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 -3.758 1.838 -1.490 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 -10.404 -16.800 1.075 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 -11.636 -10.761 -3.097 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 -3.266 -4.422 -4.441 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 -7.211 -1.995 -2.054 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 -16.937 -37.977 -3.436 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 -4.549 -1.092 -4.966 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 2.785 -11.918 -11.509 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 -0.582 -2.063 6.080 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 5.562 -3.608 -0.028 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 0.659 1.475 9.554 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 -1.370 -27.616 -0.732 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 3.585 0.736 -1.457 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 11.857 20.652 -0.813 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 -7.287 -0.454 -8.765 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 1.364 -7.248 -6.240 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 13.923 27.329 0.335 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 -0.919 -13.248 -8.041 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 4.806 0.085 -2.275 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 -4.183 4.441 10.249 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 -10.525 10.787 -16.904 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 -0.969 -7.752 -2.139 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 -6.488 5.850 12.783 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 -13.895 -3.994 -18.387 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 2.539 -0.504 -4.849 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 4.319 -1.776 -2.633 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 -5.058 -14.127 2.999 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 2.504 -2.086 -0.734 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 9.241 2.678 4.855 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 -5.224 6.308 -6.529 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 -0.576 -4.271 -3.519 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 -6.348 -15.398 1.688 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 -4.030 -6.783 -2.648 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 -4.835 -3.328 3.293 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 -3.990 4.506 17.039 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 4.790 -11.658 -7.816 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 4.058 -2.509 0.802 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 5.881 -4.600 -6.571 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 0.374 -1.958 -9.416 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 9.837 -2.111 1.716 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 11.255 3.118 -14.370 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 -6.219 -6.016 -5.263 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 -0.279 0.592 1.309 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 4.765 17.775 -3.473 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 2.000 12.897 -1.964 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 -1.030 -1.487 3.327 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 6.087 -2.258 9.249 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 -5.610 0.446 -1.725 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 -0.842 3.253 6.781 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 -9.116 2.787 18.547 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 3.290 2.436 -11.127 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 2.326 -8.166 1.284 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 9.949 -25.748 12.799 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 -0.521 -0.945 -3.314 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 2.125 2.765 3.408 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 9.060 4.553 -3.055 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 -8.037 0.134 13.174 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 3.688 0.685 -4.098 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 -8.992 -2.850 22.735 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 22.525 -6.781 -7.968 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 5.625 -0.412 -2.560 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 -1.291 -12.786 -1.703 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 -16.904 14.623 -10.188 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 -3.688 -1.431 -3.079 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 -16.168 -7.151 -3.315 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 -8.954 0.677 5.721 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 -3.663 1.080 -0.928 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 -1.726 -5.404 -3.008 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 -11.977 1.172 0.118 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 -0.286 0.931 1.274 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 -5.485 -16.869 15.071 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 15.653 0.071 5.383 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 -0.354 4.370 4.252 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 -6.785 23.508 11.224 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 -10.287 15.256 6.184 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 -8.630 9.334 -2.365 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 -13.250 -4.922 6.228 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 -6.025 6.275 -1.741 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 8.523 -2.651 2.373 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 13.128 22.209 7.407 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 13.013 0.379 1.397 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 -6.713 1.663 -2.182 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 -16.785 7.652 24.232 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 4.398 -1.614 15.100 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 2.976 -2.402 -2.507 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 1.968 -9.001 20.145 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 20.447 23.967 -14.189 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 -4.617 5.169 -10.867 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 -1.445 -7.093 11.307 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 -15.629 13.199 -15.213 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 -0.017 3.398 2.927 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 7.893 -2.388 -5.373 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 -9.926 9.400 6.678 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 -1.770 -0.908 -4.284 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 16.641 4.851 15.739 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 -3.491 -1.655 -1.106 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 -1.525 -0.028 -9.817 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 -0.339 -2.632 -0.063 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 -12.063 3.778 -0.274 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 0.742 -2.838 2.874 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 -8.806 3.289 -4.593 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 -15.073 -5.726 -15.457 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 1.894 2.564 2.188 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 10.176 -2.362 -15.307 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 1.831 0.951 6.010 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 -0.128 0.096 -1.536 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 18.853 -3.404 2.369 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 -25.291 -0.887 -2.649 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 -0.086 2.483 -0.532 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 5.839 -3.648 -0.841 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 -1.351 -0.326 3.497 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 2.201 1.189 -3.111 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 8.388 34.202 -0.022 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 13.881 -6.486 5.615 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 3.982 0.852 -3.179 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 10.934 7.884 -3.402 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 18.618 1.394 9.249 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 -1.219 2.998 1.362 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 9.638 -3.844 14.335 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 -7.441 -3.456 -4.650 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 -0.290 0.945 1.449 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 8.516 -4.185 3.117 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 -12.731 -8.206 0.634 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 3.003 3.563 -2.563 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 -1.381 0.161 7.857 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 -9.104 0.234 -14.169 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 -4.687 -6.333 1.430 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 2.312 -2.397 -22.642 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 -5.033 -12.398 0.824 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 -4.396 2.746 0.023 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 -2.270 0.825 0.316 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 9.459 32.697 4.720 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 1.581 -3.429 2.534 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 17.427 11.909 4.158 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 -0.548 -10.143 0.532 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 2.648 -1.511 -3.474 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 -6.840 -5.738 -7.635 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 -0.155 -9.612 4.964 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 -0.740 4.776 1.592 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 -24.587 -1.694 -35.475 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 3.624 4.868 6.785 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 -1.905 -8.398 -0.026 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 -1.637 -6.088 0.303 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 0.575 -13.178 -2.971 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 0.583 1.994 0.851 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 -13.362 -2.854 12.852 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 7.659 0.912 3.977 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 -0.135 0.797 -3.993 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 -16.095 12.444 -1.334 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 14.499 13.227 -7.058 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 1.542 -0.024 -5.604 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 7.224 3.118 -3.253 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 -2.713 3.221 -8.430 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 2.472 -0.009 -2.152 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 -3.154 -3.490 13.185 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 -2.943 13.802 0.612 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 5.095 2.257 5.111 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 7.543 -8.080 -2.385 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 3.255 11.027 11.505 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 -0.075 -1.078 0.403 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 -11.022 -4.740 7.353 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 -6.924 1.478 14.202 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 2.358 1.714 6.587 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 -18.357 -2.395 -4.980 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 11.430 3.551 11.332 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 -3.224 -2.534 -3.808 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 3.386 -0.488 -18.496 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 0.801 12.296 4.812 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -9.841 -3.115 -2.884 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 4.088 -7.682 13.765 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 17.451 8.273 1.454 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 -0.977 1.562 -1.894 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 -6.416 -17.908 -4.621 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 -0.226 -3.222 -8.157 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 2.155 4.872 3.444 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 -6.881 17.479 -2.378 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 15.606 4.128 -5.481 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 5.705 1.720 2.218 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 1.046 9.666 23.321 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 -0.835 -1.620 23.831 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 1.402 -2.374 -5.221 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 -8.265 -20.806 -2.281 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 12.725 -10.255 16.616 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 -2.566 -8.674 -1.702 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 7.605 3.550 -2.889 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 -2.676 -7.886 -3.662 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 -6.704 0.101 -6.520 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 1.876 -17.535 12.232 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 -13.988 14.535 -1.910 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 3.106 -1.174 -1.879 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 11.151 15.498 -2.950 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 5.759 27.416 2.663 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 -2.634 -0.938 -3.112 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 -17.243 -12.054 7.130 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 -13.385 17.287 -1.441 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 -2.169 -7.064 -2.956 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 0.878 -0.313 40.245 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 -2.379 -11.596 -26.589 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 -1.319 2.385 0.528 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 1.661 -40.655 -24.504 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 -18.312 -5.163 24.909 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -1.649 -4.165 -0.886 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 -9.529 7.912 -1.035 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 -4.432 -3.877 1.028 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 2.363 -6.182 -0.640 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 -6.590 -1.717 -0.552 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 -20.220 8.529 -3.917 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 -7.242 -2.131 1.018 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 -2.751 10.752 -35.361 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 -7.363 -37.978 -5.310 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 7.932 -0.609 -0.153 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 -18.776 0.714 5.425 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 1.104 0.120 2.646 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 3.068 3.537 -2.961 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 10.370 4.519 6.301 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 -10.655 -4.657 -9.224 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 2.506 -0.193 0.212 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 12.741 -15.079 -5.849 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 13.327 -9.842 -7.047 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 -1.040 0.127 0.331 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 -27.195 19.965 -7.859 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 3.768 0.452 5.234 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 -0.152 -2.643 -2.649 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 -3.390 -2.010 -3.583 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 -10.481 -22.670 22.165 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 -4.890 1.258 -2.242 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 -3.467 0.883 -2.027 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 -25.795 7.360 11.516 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 1.366 3.765 -4.214 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 10.736 4.821 -22.657 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 -7.576 4.491 14.435 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 -0.374 1.078 -6.112 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 -8.821 -13.717 31.707 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 -23.634 -15.659 -9.205 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 -1.560 0.578 5.939 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 14.853 -6.144 -11.034 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 -5.849 5.936 12.858 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 3.758 4.377 -0.888 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 19.224 -15.211 4.548 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 5.925 9.557 -16.572 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 2.054 3.776 1.152 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 -0.363 7.186 5.508 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 6.302 3.661 8.606 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 -3.933 -8.762 -2.395 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 13.026 -4.690 -4.708 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 -12.361 -8.126 2.396 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 1.314 3.467 3.557 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 10.274 -2.166 14.641 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 9.954 12.965 -2.370 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 -3.239 1.435 3.663 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 -3.365 -3.869 11.533 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 -6.000 2.926 -3.137 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 -0.567 -1.822 -6.776 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 -4.668 -8.552 6.778 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 -18.909 -15.456 -7.828 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 -6.504 2.660 7.940 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 -14.773 -1.787 1.534 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 -0.822 -5.089 15.409 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 -1.513 -1.518 -9.844 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 -22.053 0.400 -4.533 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 -18.433 -2.939 26.656 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 -0.122 -1.688 -1.948 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 -0.589 3.483 -4.227 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 -5.795 -4.092 -3.241 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 -0.665 -1.586 -8.663 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 -1.813 5.719 -6.846 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 -1.686 12.831 12.649 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 5.762 -0.028 1.560 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 6.624 -0.597 5.840 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 14.751 1.865 -20.103 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 -5.321 -0.324 -4.519 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 -12.201 -9.134 -5.521 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 -4.044 0.256 -0.167 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 0.153 1.453 -0.023 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 0.637 2.862 -4.361 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 0.672 12.663 -9.789 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 5.433 4.324 -1.336 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 4.377 -0.236 2.223 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 4.000 -21.924 10.862 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 6.380 -2.858 1.217 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 2.375 21.476 -25.869 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 31.748 -11.611 -2.789 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 -1.343 -1.034 4.086 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 -9.457 9.935 0.327 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 -10.850 -11.362 -2.767 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 -6.328 0.789 4.919 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 -10.028 -13.833 -8.064 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 -1.573 18.896 23.029 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 -5.736 2.543 -1.101 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 -16.578 -0.349 17.942 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 -4.295 17.780 5.126 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 -0.393 6.757 7.021 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 -7.247 8.198 10.610 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 9.506 5.914 10.393 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 6.021 -1.692 0.535 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 -4.384 20.696 2.274 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 6.144 2.917 -29.717 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 -3.818 7.541 3.894 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 -22.359 7.971 -0.426 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 3.045 3.573 -16.967 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 -2.801 2.988 5.146 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 -4.236 -24.234 -12.235 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 -3.164 -10.827 -3.720 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 -0.003 4.232 -0.655 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 -2.598 -0.421 8.375 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 3.954 -4.561 -21.527 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 -8.657 1.617 1.481 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 -5.564 16.394 1.726 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 1.912 -11.809 -4.781 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 0.727 8.528 -2.159 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 1.377 2.278 -1.299 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 1.936 -1.686 0.513 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 2.591 -0.539 -1.599 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 14.642 0.243 -7.561 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 -10.631 -16.692 23.537 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 -7.896 4.387 -2.574 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 -6.694 -18.288 -3.345 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 -26.352 29.859 -8.469 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 0.436 -3.000 -4.011 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 12.464 -4.222 -5.496 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 4.801 -2.343 -7.814 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 -0.382 -0.859 -1.224 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 18.133 -2.902 2.228 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 -0.736 -8.593 -18.484 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 0.733 7.081 -6.265 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 10.963 -13.217 -0.437 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -9.099 37.756 -13.265 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 0.086 5.076 4.225 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 9.196 -19.587 1.637 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 -10.226 20.426 4.808 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 -6.123 5.630 2.966 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 -21.571 -3.911 15.290 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 -6.201 6.105 -12.941 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 -0.679 2.873 0.616 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 8.463 7.481 -5.812 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 -7.742 5.645 -1.718 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 -6.147 4.516 2.591 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 11.815 32.615 -6.959 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 2.121 18.285 0.485 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 1.080 0.782 6.412 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 -15.695 22.829 6.784 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 -7.786 9.690 -2.317 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 2.085 -5.094 2.720 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 -2.919 23.611 -10.911 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 -17.502 -20.140 -12.750 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 -2.103 8.044 3.525 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 10.083 8.356 6.081 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 -8.484 2.115 -11.559 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 -2.388 -3.325 -5.048 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 -4.235 9.793 -6.994 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 -1.760 3.705 -2.241 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 -0.098 -0.265 -2.951 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 7.255 22.153 -4.958 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 4.766 -5.726 3.005 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 3.948 -11.640 -0.951 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 7.413 -11.853 -0.693 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 10.609 3.379 9.603 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 0.983 0.174 2.844 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 4.874 4.381 10.471 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 -7.468 -4.809 8.855 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 0.898 -3.320 1.881 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -29.597 3.361 -8.057 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 10.492 -12.991 14.978 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 -2.680 2.646 0.874 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 -5.171 5.981 -22.296 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 8.976 -10.095 1.278 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 -1.966 -8.756 -0.811 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 11.863 -0.087 15.191 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 16.898 -36.434 0.923 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 -1.436 -1.762 -3.705 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 -2.551 0.239 -5.358 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 -2.927 0.349 -5.437 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 0.012 -1.764 -5.551 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 -15.869 -0.137 -24.408 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 -4.177 23.571 22.616 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 2.673 -4.654 -1.278 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 1.455 9.386 -4.065 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 -1.686 8.567 11.256 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 -5.235 0.017 1.917 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 8.269 4.877 1.769 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 11.235 -23.362 -5.214 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 5.748 0.952 -3.255 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 3.259 13.038 -16.478 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 -3.170 3.157 1.600 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 -2.640 0.490 5.122 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 14.034 -10.666 -25.707 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 27.209 10.517 3.405 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 2.135 4.277 7.895 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 -8.094 10.964 12.788 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 31.094 28.356 3.492 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 0.232 7.697 -3.439 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 -2.863 5.057 -14.883 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 12.775 -4.984 -7.417 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 -6.363 -0.297 -1.088 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 -6.347 5.927 2.371 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 16.499 3.560 3.589 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 6.175 -0.025 2.569 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 -6.310 -7.994 2.999 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 16.958 6.475 2.128 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 -0.417 -0.062 -6.071 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 13.817 -15.672 -12.992 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 3.637 -4.129 1.408 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 7.793 -7.497 -2.335 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 4.520 12.119 0.019 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 8.988 -15.690 -3.194 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 0.960 -1.892 -5.393 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 13.865 -4.901 -9.760 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 -16.813 -14.521 -4.767 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 -4.697 4.850 -2.617 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 -8.366 -4.458 -9.061 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 -21.635 5.340 -2.714 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 -1.855 -8.227 3.435 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 -10.389 -3.930 0.841 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 -2.796 -5.049 12.326 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 -2.274 7.634 7.021 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 -1.232 -4.319 -15.716 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 -4.522 -4.419 7.693 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 -4.154 3.264 -3.008 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 -14.899 3.953 -2.182 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 -11.044 5.216 -3.218 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 5.029 -9.534 1.456 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 0.231 -9.863 6.268 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 -4.469 -22.933 -0.124 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 1.800 5.907 6.339 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 7.129 14.577 4.528 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 11.115 15.256 -6.653 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 -7.393 4.625 0.434 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 -4.938 5.614 -18.121 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 -28.375 7.745 3.352 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 -1.378 -4.162 -0.549 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 -12.416 -1.045 -1.608 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 -11.361 13.018 5.878 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 -0.863 -0.335 0.542 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 -0.756 -13.455 5.784 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 1.149 9.725 -6.391 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 -5.110 5.043 0.320 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 -4.312 5.816 1.300 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 -9.770 13.216 7.240 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 -3.446 3.414 -1.849 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 -11.488 1.814 0.748 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 -1.094 -3.914 -9.214 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 6.055 -1.350 -4.488 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 14.619 -4.403 2.533 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 -6.784 -8.679 -3.626 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 -2.416 0.587 6.242 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 -22.755 -12.421 -8.361 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 9.770 13.102 14.167 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 -1.159 3.918 3.222 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 0.639 -5.027 4.476 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 20.415 5.645 23.255 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 4.389 -1.850 -1.880 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 4.779 -0.359 -1.005 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 3.006 2.458 2.468 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 2.788 1.503 -3.387 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 -4.137 4.404 7.564 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 0.291 8.475 -2.724 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 -0.329 2.152 -4.868 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 -3.169 12.239 2.388 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 -22.386 10.491 -18.606 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 -5.184 0.943 1.969 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 -6.917 -1.212 4.632 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 2.112 23.991 10.149 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 3.012 -2.009 -1.448 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 7.330 2.358 14.571 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 15.136 -13.951 -6.058 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 -4.100 4.934 0.788 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 8.702 19.129 -12.049 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 -26.187 11.748 -1.581 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 -0.637 -4.687 5.412 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 8.723 4.134 -7.449 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 12.513 -2.791 -10.575 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 -2.650 0.322 6.212 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 3.982 -8.688 11.804 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 3.636 8.329 -7.796 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 2.316 -1.564 -5.269 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 0.574 -3.140 -7.471 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 -1.147 -3.046 1.754 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 0.245 5.603 -8.136 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 11.495 -5.615 -8.760 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 8.845 -14.563 -11.723 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 3.965 1.394 4.032 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 -5.758 5.776 17.799 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 8.899 3.748 20.249 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 -5.387 0.117 4.340 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -8.816 -0.565 -5.368 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 -2.948 -9.212 6.316 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 -0.322 2.671 -1.335 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 -6.152 5.489 8.261 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 -0.184 18.957 -7.171 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 -0.842 -4.988 -2.128 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 5.717 11.717 -20.786 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 13.562 -5.514 10.879 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 -0.564 4.953 -6.492 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 1.781 -20.756 15.597 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 -17.569 -24.650 3.490 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 -1.749 -2.172 -4.928 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 -0.517 -15.668 4.671 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -0.421 -7.457 -1.837 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 -2.626 4.617 -2.173 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 0.060 5.647 0.669 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 26.769 -0.848 6.459 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 4.231 -1.008 -0.533 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 0.235 6.340 -3.890 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 9.061 3.075 5.769 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 2.465 2.925 -5.083 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 7.628 -4.142 -2.980 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 3.966 -0.463 -3.798 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 3.724 -0.955 3.647 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 16.309 9.465 -13.469 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 22.024 9.350 -26.433 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 2.475 1.681 -2.323 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 28.106 0.825 10.827 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 -5.989 -3.881 3.544 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 -5.232 -3.045 -1.622 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 -8.575 -15.526 4.372 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 -18.639 -6.830 13.893 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 -5.879 -3.633 -3.312 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 4.597 8.931 -5.411 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 -13.813 -12.880 -1.068 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 2.955 1.291 1.000 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 6.840 -13.892 -2.644 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 -1.518 -7.108 -4.401 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 -8.470 0.105 0.991 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 7.641 0.353 5.069 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 -3.923 -4.676 -0.487 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 2.059 7.773 -3.605 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 -1.763 -12.997 15.405 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 6.983 -8.024 15.827 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 1.343 -5.079 1.248 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 0.685 -5.865 6.644 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 -1.739 -5.204 8.271 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 -2.414 2.560 -6.539 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 -0.514 1.455 -0.372 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 -1.103 1.905 -2.745 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 4.178 -0.532 -3.462 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 -1.392 -3.091 -12.513 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 9.081 -2.115 -3.019 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 -2.393 0.388 1.942 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 -7.054 -7.743 4.957 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 -4.528 -1.928 -2.440 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 3.791 6.428 -5.831 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 -3.873 1.328 -5.554 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 18.266 14.410 -10.344 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 0.479 1.127 2.390 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 -6.609 -14.246 -7.642 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 18.369 -3.824 -5.974 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 3.873 1.483 -0.606 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 11.444 1.455 -1.310 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 11.009 -10.428 -11.965 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 -4.420 5.603 8.193 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 -0.390 -2.275 14.730 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 -10.136 -17.099 -0.291 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 2.283 -0.243 4.347 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 2.189 10.986 -1.676 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 -7.779 6.171 10.880 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 -1.865 2.162 1.421 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 0.168 -5.836 -14.493 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 4.517 -3.388 10.816 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 3.667 -0.675 1.316 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 13.052 1.806 -1.988 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 1.564 -6.640 -7.521 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 2.842 1.820 1.565 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 8.002 21.638 11.525 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 27.579 27.215 10.925 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 0.093 -5.802 5.411 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 2.924 5.074 9.316 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 12.910 -7.539 -6.255 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 3.326 -1.630 3.676 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 -37.189 -2.292 14.687 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 4.029 -25.459 7.078 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 0.886 -1.859 7.899 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 3.678 5.930 1.049 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 -6.193 -3.294 6.530 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 3.507 -5.317 3.788 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 -1.064 -3.397 -0.197 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 4.334 -6.951 0.417 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 -1.916 -0.935 -1.124 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 -8.399 -25.205 21.705 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 -15.506 -9.970 0.204 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 2.257 -0.505 -0.877 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 -0.537 -2.167 10.236 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 -1.838 12.532 -17.502 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 0.444 -5.138 -0.693 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 -4.762 -20.682 -5.744 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -10.926 3.309 3.514 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 6.789 0.218 -4.652 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 1.053 7.290 -0.586 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 15.862 3.187 -4.330 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 -0.355 -1.057 -2.558 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 11.588 10.782 -13.459 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 -8.040 -6.625 -0.084 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 -3.326 -5.465 0.653 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 -15.696 6.199 3.758 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 10.607 -2.465 -3.350 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 -4.444 2.959 -5.313 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 7.125 6.731 0.608 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 -12.931 1.608 -8.291 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 4.804 4.068 4.062 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 2.184 1.967 -0.362 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 -13.274 -1.051 0.015 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 -2.316 -5.551 0.521 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 6.359 -4.629 4.946 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 -5.837 -2.795 -1.161 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 0.616 -6.835 0.363 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 7.213 13.472 25.049 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 -3.499 9.720 2.096 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 0.918 4.272 -5.188 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 -1.574 -19.466 -19.844 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 24.435 0.610 8.955 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 2.170 -3.119 -4.484 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 0.553 -2.325 2.677 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 -4.029 15.646 22.510 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 -0.104 2.347 -0.785 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 2.799 -0.990 1.166 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 18.672 22.811 -8.986 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 0.128 2.733 -0.616 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 5.728 -1.557 -6.957 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 -11.271 18.419 -13.241 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 2.438 -3.111 3.445 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 15.540 -3.059 -13.262 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 3.927 7.321 25.881 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 -2.558 3.439 -1.519 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 -14.664 -14.479 0.050 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 13.747 -1.824 -12.284 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 0.031 2.803 -4.416 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 -2.598 0.307 13.812 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 0.482 19.622 -25.181 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 -1.999 1.513 -1.125 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 3.881 11.865 17.607 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 -4.087 6.734 -4.846 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 3.016 -2.800 6.151 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 11.804 -4.758 -11.697 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 12.539 -21.342 2.965 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 0.294 -4.335 -0.113 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 2.593 -0.633 -8.003 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 2.418 3.382 3.729 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 -7.023 -4.060 0.659 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 6.751 -1.507 0.409 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 -8.038 -14.959 6.896 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 -4.601 -2.456 4.517 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 -8.922 4.919 -13.851 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 -3.417 -2.044 -3.727 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 -3.424 6.914 8.000 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 -4.725 -2.921 -15.163 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 -18.680 -0.151 7.460 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 -2.048 4.320 0.748 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 -1.780 -5.790 -0.470 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 -4.903 6.409 3.286 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 4.006 -5.395 5.065 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 5.585 18.283 2.417 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 6.335 6.947 -4.480 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 2.305 -6.618 1.398 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 -4.829 -8.418 -2.538 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 16.403 -7.227 13.160 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 2.930 -1.404 0.286 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 2.539 -8.109 -6.183 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 -1.639 -15.008 -2.997 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 -5.497 -0.064 -7.192 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 -2.265 5.715 -26.297 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 4.342 5.420 -15.738 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -6.968 -0.921 3.678 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 -8.110 12.072 1.773 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 -41.576 -13.253 20.708 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 1.737 1.406 5.411 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 1.214 -1.265 9.523 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 -1.891 -0.973 26.423 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 -3.167 2.160 -3.432 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 -1.216 -16.813 28.218 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 13.179 6.531 1.815 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 -2.305 -4.712 0.619 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 17.992 2.947 13.953 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 7.811 20.517 8.393 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 1.137 -1.674 -0.017 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 2.762 3.129 -3.022 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 4.014 8.001 -8.292 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 1.971 -2.236 -4.042 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 1.604 -4.403 0.884 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 16.657 7.580 0.996 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 4.288 0.024 3.156 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 -1.261 -21.651 16.199 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 1.685 8.453 5.395 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 -5.297 6.747 -2.341 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 5.505 13.230 24.197 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 -9.860 -30.592 19.041 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 -5.808 3.160 -6.849 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 -0.253 11.484 -33.438 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 -0.843 0.652 2.940 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 -2.810 1.607 -3.155 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 -9.418 2.463 3.790 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 2.333 -4.955 -2.392 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 -7.362 -1.314 3.989 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 -3.957 -6.511 15.442 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 7.366 -1.477 14.725 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 -2.495 9.492 4.117 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 2.452 -12.760 -3.607 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 -3.467 14.344 4.694 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 -5.924 -8.917 -0.729 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 -7.925 -13.157 -3.451 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 -18.091 -42.238 -24.132 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 0.398 -5.126 1.758 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 9.538 3.249 0.875 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 -9.759 -12.098 -2.155 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 1.976 2.695 5.282 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 5.843 29.230 -10.390 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 17.581 31.841 -0.776 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 -4.889 2.028 2.523 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 -4.265 17.558 -11.598 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 -12.138 -6.853 5.430 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 -4.786 5.750 4.389 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 -8.152 25.547 -4.257 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 -2.810 -33.151 11.772 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 6.423 -2.672 -11.071 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 5.067 -0.376 0.791 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 9.552 0.985 -2.367 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 -6.692 1.479 -0.195 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 10.257 -1.441 8.087 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 -18.135 4.430 -2.687 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 -5.919 -5.171 6.853 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 15.268 -4.410 4.633 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 -9.276 3.069 23.930 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 6.111 -1.872 1.716 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 -7.711 -14.932 13.305 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 23.761 2.787 14.811 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 0.372 -2.309 3.883 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 -5.190 9.423 -2.403 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 1.767 -0.508 2.049 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 10.464 1.476 2.025 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 8.689 -14.975 -2.573 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 5.590 5.288 15.872 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 0.403 -4.749 1.546 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 2.231 -8.608 15.620 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 -18.316 7.341 8.516 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 -0.323 0.005 1.109 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 -12.119 9.445 0.065 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 -5.755 9.375 1.941 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 0.026 3.908 1.297 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 1.608 -13.982 -1.670 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 -9.658 16.866 17.027 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 -2.373 -4.811 8.121 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 19.091 6.617 -3.148 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 24.355 7.471 -8.442 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 3.649 0.510 5.026 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 0.185 -5.378 15.567 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 8.052 26.045 -8.437 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 7.997 2.272 -3.445 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 2.178 -8.500 13.374 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 -8.970 -13.261 -8.918 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 1.697 4.200 -5.325 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 4.714 -14.022 1.040 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 15.710 13.801 -13.572 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 3.637 6.553 7.814 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 -15.006 10.698 8.256 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 -7.801 6.282 6.416 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 -1.018 3.296 -1.507 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 -31.886 17.375 13.473 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 -5.516 -1.614 7.909 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 1.484 -8.120 5.243 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 -20.244 -10.472 -7.726 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 6.821 -2.051 -11.464 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 1.188 -0.200 -3.938 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 3.189 0.806 0.148 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 -1.446 -10.023 -7.569 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 -5.271 0.658 -5.577 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 18.377 -29.795 7.849 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 -17.347 5.733 -6.381 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 0.729 -1.009 0.479 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 11.591 18.130 31.246 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 9.768 8.221 3.533 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 -7.985 2.782 -2.454 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 -0.812 3.968 -7.487 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 -7.466 -4.092 -1.303 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 -4.432 -8.199 -10.452 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 -18.035 -9.841 -14.222 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 11.517 -13.422 -7.096 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 5.839 -2.582 0.879 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 -5.388 1.006 21.883 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 -17.194 -2.539 -24.793 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 -3.689 3.141 -3.909 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 -2.414 2.156 -0.255 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 -11.699 10.108 -13.703 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 0.227 -1.189 -2.376 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 -2.499 1.220 0.604 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 1.402 -6.573 2.554 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 3.653 1.941 -0.293 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 -10.518 -12.845 -1.064 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 -12.537 11.596 13.015 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 4.329 0.573 -1.654 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 40.638 27.097 -6.482 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 -2.729 -10.162 33.852 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 -1.094 -1.968 1.207 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 -4.699 6.858 7.035 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 -8.578 8.039 6.584 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 4.946 1.318 3.896 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 -1.630 -2.029 6.432 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 -1.051 0.343 -5.243 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 1.341 1.165 2.562 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 2.434 0.183 5.135 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 -26.558 -0.626 17.551 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 -1.638 5.264 -6.352 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 -7.461 -1.210 2.690 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 -11.317 3.341 11.752 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 2.832 0.795 2.399 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 2.355 -13.506 15.704 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 -13.228 9.642 5.579 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 -4.874 2.506 -5.547 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 -20.788 -8.419 -4.441 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 15.398 -7.654 -2.558 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 -8.078 -0.169 1.176 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 -6.898 -0.301 1.475 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 -6.809 0.107 1.957 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 1.329 0.794 -3.206 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 -2.128 2.989 -22.100 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 17.299 -11.674 -0.947 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 -2.349 0.445 2.469 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 -5.597 -8.812 3.829 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 -12.727 -7.981 14.791 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 -3.741 -1.633 -8.254 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 -2.855 -14.932 -13.210 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 -0.275 13.849 -10.380 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 0.850 2.836 8.923 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 -3.410 -8.534 2.042 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 3.185 7.649 12.642 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 7.278 3.627 3.134 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 0.795 7.364 2.591 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 3.508 -4.228 5.947 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 -4.445 0.158 -0.803 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 -8.734 -7.157 17.619 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 0.763 -21.188 -0.887 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 -0.843 3.459 2.805 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 -4.026 -4.773 -1.752 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 8.767 26.881 33.355 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 -5.154 1.600 -3.069 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 -9.511 0.915 -3.562 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 1.550 6.229 3.080 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 1.579 -2.966 1.545 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 -2.284 -10.081 -4.625 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 5.160 11.354 28.620 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 -11.795 -2.325 3.729 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 -4.258 -3.298 -0.015 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 -0.811 -0.129 9.324 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 1.877 -2.002 -0.890 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 -6.973 -1.481 23.419 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 -3.412 3.185 -14.027 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 6.525 -5.318 1.050 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 -6.670 -9.449 3.318 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 17.260 -5.915 -10.727 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 -1.728 8.352 -0.467 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 -1.799 7.693 8.094 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 4.091 9.497 11.794 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 -0.345 0.798 2.385 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 3.281 -9.197 3.839 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 -11.066 0.045 6.164 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 0.077 -3.558 -6.089 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 14.470 0.498 -0.128 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 -17.827 3.038 -14.645 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 0.565 9.793 -4.037 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 21.347 6.933 -12.518 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 -6.760 -11.175 -1.155 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 3.016 2.817 -0.179 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 10.834 -12.064 -4.379 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 13.332 -13.257 -3.373 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 7.942 -2.150 -7.177 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 2.566 4.016 4.937 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 -4.309 5.448 8.513 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 0.266 -6.360 -3.095 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 -15.619 -22.132 8.981 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 -6.066 -5.211 -0.915 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 -0.465 -1.673 3.217 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 -9.897 -0.214 8.108 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 -2.637 -10.311 -0.566 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 2.145 -3.608 7.306 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 -11.415 5.971 10.782 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 14.706 6.700 19.499 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 -3.109 -3.270 -0.808 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 -15.403 -12.018 -12.763 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 -4.161 -14.045 -8.856 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 -2.288 -1.076 1.980 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 -1.736 0.555 2.899 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 -9.640 -0.383 -3.552 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 2.285 -5.448 7.695 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 -8.509 -17.060 14.682 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 -17.894 -5.087 -5.089 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 2.216 4.982 -6.731 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 -8.050 7.421 -7.400 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 -13.995 -5.196 17.930 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 3.076 -0.307 -4.458 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 16.653 5.613 7.507 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 13.717 -21.275 8.762 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 -0.144 3.952 3.105 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 -10.655 -11.832 7.907 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 -2.909 6.856 -0.511 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 -5.646 -0.991 -9.355 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 3.907 -2.961 12.019 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 -19.574 -8.366 15.056 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 1.948 -2.202 9.178 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 -0.180 3.235 11.356 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 -2.617 -5.602 6.343 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 -5.504 -1.127 1.079 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 -10.153 10.600 0.292 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 2.764 16.275 -11.094 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 -2.247 -2.257 -1.549 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 7.759 -17.421 21.557 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 -1.973 -4.819 -3.670 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 1.286 3.200 -0.448 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 -13.490 20.956 15.059 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 19.912 -3.361 15.874 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 -0.448 1.045 2.023 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 -1.013 14.538 14.579 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 -9.585 -9.521 -0.727 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 -3.706 -3.420 -5.119 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 -1.177 15.864 -0.596 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 -5.228 -6.234 -2.264 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 -5.207 6.334 1.726 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 -14.489 4.751 18.098 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 -17.163 10.519 -8.328 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 0.563 -2.711 4.368 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 -2.948 12.504 2.614 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 -2.917 7.401 -3.912 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 -0.435 -3.880 1.235 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 -18.360 11.412 9.616 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 -6.021 -25.729 1.681 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 3.361 -4.545 -2.033 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 -10.353 13.836 2.066 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 -7.022 -14.054 -15.929 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 -2.424 3.221 -1.000 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 -6.286 8.621 2.923 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 11.506 -3.243 4.561 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 -2.694 3.392 1.947 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 4.478 -22.179 -5.806 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 -1.840 2.537 1.927 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 -5.273 -0.973 1.141 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 5.219 -1.011 -12.117 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 -1.221 -3.086 -28.911 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 2.103 2.412 -2.313 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 -0.762 10.337 8.594 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 -1.963 7.883 8.072 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 0.862 -2.032 -2.540 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 8.874 5.528 2.249 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 12.495 -0.634 -1.050 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 1.501 -0.078 0.926 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 -6.112 4.567 3.894 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 11.413 1.668 0.953 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 -1.309 1.683 -1.143 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 3.547 -5.401 -7.464 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 2.874 12.232 -3.410 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 3.325 -6.814 -0.409 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 5.909 -6.773 -14.624 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 13.173 -7.480 4.870 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 1.491 1.882 -0.409 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 1.031 -24.954 -2.465 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 1.043 -4.096 -2.922 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 -2.901 5.922 0.884 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 3.980 8.991 3.929 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 -1.196 2.669 -2.640 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 2.886 0.939 -7.046 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 -7.157 4.461 14.290 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 2.556 17.272 3.764 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 1.119 3.499 -3.661 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 -16.444 -0.043 2.378 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 18.163 5.719 -11.458 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 -5.895 -1.964 0.178 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 0.554 15.842 -6.498 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 -23.012 1.328 9.848 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 -2.396 4.525 9.493 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 -4.450 20.180 1.027 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 -3.807 11.251 4.007 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 -7.842 7.017 2.676 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 -0.183 -7.687 -5.158 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 -9.082 10.884 12.090 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 2.911 -3.929 -4.918 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 6.339 2.673 -27.853 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 1.404 -4.807 0.955 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 7.836 8.033 -4.417 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 14.074 -2.763 -15.658 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 11.375 15.910 -0.440 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 -1.887 2.111 -1.341 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 -1.490 -0.588 7.809 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 -1.296 -1.862 11.779 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 -6.197 -1.182 2.184 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 -8.439 5.819 -4.647 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 -7.229 -3.248 19.026 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 0.222 -7.187 -0.934 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 9.976 15.041 11.256 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 -20.964 15.665 14.971 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 6.279 0.947 -0.313 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 10.516 2.494 -1.495 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 -7.106 -1.782 -5.202 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 -2.297 3.032 0.205 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 -1.733 4.860 6.829 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 -3.114 5.518 11.408 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 -3.295 0.458 15.217 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 -23.712 -9.597 20.754 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 6.750 4.219 13.779 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 2.683 0.741 4.502 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 -14.369 -15.221 -4.211 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 -13.788 -15.977 -2.518 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 0.664 4.024 0.827 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 3.099 -23.830 37.338 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 3.471 -9.001 -26.995 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 -1.286 -1.482 -3.891 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 -7.488 3.793 -19.869 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 -1.073 11.098 5.433 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 -1.331 2.783 -1.017 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 -10.957 -4.521 1.726 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 19.906 20.748 -12.675 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 -0.761 5.778 -3.366 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 21.123 10.430 2.818 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 -0.139 6.994 -3.085 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 -6.746 -2.493 0.514 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 -16.161 7.202 -5.033 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 12.706 0.462 -12.166 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 -5.828 -3.176 1.537 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 -8.527 6.206 4.259 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 19.830 10.347 0.896 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 2.455 -6.362 -0.123 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 9.067 -0.394 13.278 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 2.016 -3.836 -6.901 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 2.870 2.939 -1.488 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 -11.997 -1.868 -3.081 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 5.995 4.458 -0.696 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 0.977 1.176 3.915 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 -0.004 17.148 -7.311 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 -9.027 2.306 7.110 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 2.237 10.005 -0.754 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 -0.537 10.916 -26.639 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 6.975 1.240 -10.116 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 -6.075 -0.367 -2.270 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 -12.599 1.422 24.497 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -12.027 1.347 13.280 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 -1.655 -3.793 0.902 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 19.785 17.881 3.351 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 5.061 4.169 -22.903 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 4.864 -6.279 1.971 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 6.519 -6.104 1.061 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 13.379 1.239 1.372 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 6.144 -2.414 -2.728 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 -14.692 -10.062 -9.235 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 7.022 -0.397 8.470 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 -2.920 -4.481 3.034 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 -2.657 16.094 -0.913 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 -3.278 -4.079 3.294 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 7.235 0.961 -4.208 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 -12.130 -0.995 -14.941 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 24.868 -25.566 9.586 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 2.295 -0.015 -2.120 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 10.974 12.138 -38.960 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 17.346 -19.784 -0.712 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 -1.267 -5.387 1.180 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 -0.512 -4.959 -1.498 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 8.753 -5.674 -3.711 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 -1.414 -0.605 1.081 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 0.209 2.521 -4.495 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 4.663 0.587 -0.204 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 3.320 0.611 -1.402 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 15.548 6.127 -30.695 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 11.888 8.573 -11.962 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 4.585 1.574 -2.587 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 -1.014 -0.931 -7.228 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 10.328 0.392 6.234 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 -7.442 -1.398 2.455 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 -15.222 -2.936 8.399 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 -3.257 11.211 14.416 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 -2.395 7.199 -0.762 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 -4.871 12.241 -3.186 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 10.983 1.074 -5.991 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 3.088 0.443 0.469 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 -18.345 -7.341 -28.466 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 6.659 -2.793 -17.473 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 3.254 2.840 -4.022 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 -14.025 -4.836 -9.986 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 5.688 4.089 19.468 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 4.436 0.355 3.987 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 8.666 6.620 -15.677 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 -6.086 -22.157 -4.767 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 -6.147 5.587 2.649 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 -33.273 12.970 -10.759 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 16.469 11.899 -1.077 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 0.354 -4.201 0.588 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 -20.566 -3.673 -6.767 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 -11.776 -10.080 7.717 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 -2.497 0.829 4.144 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 8.030 -4.885 -12.696 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 -22.893 9.153 10.763 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 -4.582 1.203 -0.263 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 -22.584 -15.082 27.064 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 5.266 -5.280 -7.074 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 -0.744 -3.198 5.218 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 -6.131 -3.651 7.713 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 12.180 -7.209 -6.861 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 2.836 4.406 -1.208 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 19.877 0.444 20.907 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 0.952 -8.686 -31.408 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 -0.295 -1.256 -3.020 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 -3.448 5.263 -12.280 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 17.016 6.739 4.782 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 -3.636 2.730 4.428 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 -2.518 6.606 4.387 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 -18.173 -1.552 1.476 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 1.982 1.606 -0.622 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 -7.222 -12.099 11.243 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 15.791 37.182 1.445 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 -2.714 -4.238 3.084 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 15.101 -2.187 6.256 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 -20.569 -5.701 0.546 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 -7.403 -1.795 -0.627 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 -9.087 12.345 13.205 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 8.676 -2.692 -4.379 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 7.685 7.909 3.435 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 -31.483 8.102 4.525 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 27.379 -0.856 2.023 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 0.537 6.218 -4.935 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 -9.255 14.889 7.191 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 -14.111 8.757 -0.290 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 -0.620 1.532 -2.137 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 -4.902 -11.608 19.183 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 3.759 16.657 26.172 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 -3.393 5.535 0.189 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 3.306 18.703 -7.860 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 -5.501 -10.002 -3.037 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 -2.360 -2.358 0.440 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 13.032 -5.570 -24.164 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -4.091 17.221 16.409 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 -2.126 0.668 5.548 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 -5.009 -1.847 7.155 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 -4.932 -7.663 7.657 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 5.316 1.927 4.580 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 13.000 3.371 27.779 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 -8.168 2.168 -22.923 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 -2.572 1.013 4.139 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 1.301 3.592 13.056 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 10.274 8.093 24.845 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 3.745 -1.948 -2.838 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 -10.371 14.359 2.907 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 10.502 -11.417 0.614 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 2.261 -0.795 -0.344 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 16.120 -16.200 0.884 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 28.029 31.930 -19.508 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 -0.075 -2.531 0.363 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 -25.506 -1.954 2.299 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 -2.720 -5.868 13.469 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 3.488 -6.273 0.923 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 -11.806 -21.412 -7.302 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 10.451 -5.433 8.362 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 -2.911 3.247 2.385 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 -7.328 -0.714 -7.764 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 -6.938 -6.190 -12.427 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 -1.482 3.698 -1.535 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 -25.880 5.896 4.574 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 7.668 -6.440 -3.133 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 -3.484 3.332 -4.201 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 6.692 8.224 -26.809 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 -20.554 2.035 -9.538 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 -0.613 -2.126 1.132 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 2.760 -24.814 -2.051 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 11.992 -26.975 10.769 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 3.012 -3.100 -4.497 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 -0.844 -2.127 -5.254 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 10.749 -6.889 -5.735 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 9.395 1.259 4.010 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 -8.830 15.331 -3.309 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 18.277 -5.323 -13.954 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 1.991 -4.494 3.796 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 -1.030 0.947 -19.479 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 -14.821 -11.973 3.200 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 -7.638 0.932 6.529 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 -8.850 -2.650 -5.405 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 2.843 18.275 -12.216 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 8.402 3.255 -1.501 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 8.786 2.823 -0.747 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 4.720 4.466 -4.398 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 -1.658 0.991 2.940 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 2.050 -0.823 4.257 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 -7.250 0.995 10.829 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 2.617 0.368 -1.721 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 -17.377 21.577 -12.019 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 -10.781 0.704 5.539 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 -1.192 5.443 0.224 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 -6.615 -24.150 -18.754 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 5.143 -16.277 -3.415 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 0.975 -1.109 -1.976 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 1.564 -14.082 -11.236 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 -8.816 -1.676 17.868 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 9.827 -0.703 1.980 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 -15.568 26.074 -9.589 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 21.555 -3.864 10.214 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 -2.516 0.948 -1.516 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 -8.605 -22.287 5.242 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 16.144 1.695 -13.898 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 2.050 5.908 -1.582 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 0.448 0.982 4.322 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 18.380 6.319 -16.754 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 -1.459 -1.776 4.106 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 -10.850 5.251 -15.370 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 0.328 -2.247 -14.857 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 4.162 1.919 8.261 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 -14.993 -2.010 16.244 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 14.017 2.008 11.179 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 0.247 -2.774 -4.535 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 -2.285 -3.389 0.158 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 -6.321 -26.722 20.074 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 -1.781 5.503 -6.895 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 -2.837 17.973 -1.276 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 33.629 -12.175 4.360 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 -4.116 -2.571 -5.005 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 -2.739 -13.442 21.306 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 8.103 11.456 -20.801 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 2.908 3.428 -3.319 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 9.041 10.568 6.228 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 12.226 -2.782 -10.044 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 2.742 3.020 1.370 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 -1.768 -14.563 0.799 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 11.852 -8.805 -11.575 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 -0.271 -4.937 1.545 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 -15.848 -38.054 24.602 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 -4.570 -9.526 5.008 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 -2.554 1.632 0.036 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 19.928 -3.411 11.021 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 -13.143 -17.522 -1.895 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 6.371 3.652 -4.384 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 7.046 8.838 -2.481 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 6.550 -2.537 1.150 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 -2.672 0.127 -3.228 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 7.531 5.434 -15.294 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 12.870 -8.223 -0.506 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 3.766 3.074 2.009 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 -7.191 13.687 4.602 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 6.640 6.533 6.984 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 2.509 -3.755 -3.917 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 -0.207 -3.364 -5.203 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 6.965 -5.194 4.659 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 0.099 -3.635 0.214 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 -4.115 8.403 -5.175 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 17.761 6.766 -15.175 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 -2.445 -0.964 0.489 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -3.253 -4.459 12.597 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 -12.582 11.958 -3.251 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 1.679 -2.359 3.529 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 -2.485 -6.828 2.446 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 -12.729 -7.546 -4.340 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 5.696 -1.619 -1.432 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 6.424 -4.330 16.937 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 2.671 -7.893 -7.625 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 -2.956 -0.287 -3.153 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 -11.250 3.101 -10.853 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 -6.423 -12.914 -2.718 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 0.948 -0.803 -0.748 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 -2.663 -23.988 -15.396 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 30.907 -22.671 3.186 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 2.723 2.216 -2.763 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 3.143 -10.703 10.989 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 2.557 10.006 -0.070 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 -2.446 4.784 -0.760 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 -3.613 13.938 7.599 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 7.292 -6.787 3.258 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 -2.834 10.273 -2.730 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 -11.750 7.773 8.484 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 -5.003 11.772 3.477 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 0.707 -2.028 -3.741 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 0.660 -32.988 14.625 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 -27.204 25.910 -10.378 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 -0.616 -1.497 5.038 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 6.305 8.451 -9.007 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 -14.790 -10.232 -12.511 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 3.561 0.150 8.462 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 2.116 15.902 12.103 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 -2.937 -15.468 -9.402 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 -2.933 1.562 1.419 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 0.422 14.154 -5.999 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 -8.050 -8.302 -11.322 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 6.312 -3.360 -1.497 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 2.042 -9.572 -6.910 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 4.038 -9.936 -20.654 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 4.300 -0.695 7.291 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 7.229 -11.535 10.885 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 15.467 -8.739 -19.362 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 1.424 -4.174 0.834 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 18.413 -7.643 -0.187 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 0.080 12.216 1.025 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 2.209 -0.557 2.529 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 8.691 -3.415 -1.799 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 -4.501 -2.833 8.442 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 5.424 3.348 5.715 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 2.335 -8.650 11.189 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 -8.478 -5.842 4.951 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 -0.519 -7.455 6.222 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 -8.553 4.142 21.394 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 -4.789 0.491 -9.046 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 -6.862 0.960 -6.909 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 6.779 10.026 11.882 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 -20.876 6.758 -1.160 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 -2.144 -1.170 6.206 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 -0.206 17.926 13.054 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 -4.900 -32.275 -0.751 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 -2.725 -3.177 -1.923 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 -15.710 3.820 15.143 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 9.776 13.060 -26.171 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 -0.931 4.804 5.199 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 8.893 7.587 6.403 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 6.255 7.823 3.222 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 4.995 3.516 -0.474 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -0.638 6.810 6.176 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 -2.236 3.726 -6.255 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 -5.902 -4.100 1.872 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 -16.193 -1.455 3.859 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 -4.917 -13.046 1.331 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 -2.827 -5.832 5.826 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 -11.883 -1.410 17.378 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 1.521 -9.748 11.799 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 -0.794 -3.097 -1.682 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 10.602 -6.702 5.859 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 14.683 0.761 -6.288 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 0.133 -0.715 -5.334 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 -9.773 -0.996 -29.500 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 -0.173 23.001 0.399 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 -3.701 5.324 1.466 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 6.431 -1.404 1.361 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 -11.761 1.780 1.673 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 -5.986 -8.640 6.799 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 -15.588 -6.297 4.816 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 -3.409 -10.852 8.687 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 -3.724 -3.903 2.770 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 2.388 4.887 -5.899 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 -11.329 -3.660 9.892 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 -1.936 1.424 -5.239 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 -0.596 3.698 0.181 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 -3.251 -1.132 -10.322 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 5.573 4.581 -5.159 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 21.551 -15.863 0.011 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 -6.723 5.989 -4.438 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 5.497 -3.525 -2.009 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 4.414 13.270 -12.126 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 19.976 -4.062 17.968 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 1.206 -0.346 4.615 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 -2.625 2.896 1.835 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 12.821 -1.329 4.892 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 -1.535 5.104 9.917 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 -14.547 -3.767 -6.725 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 -25.957 5.298 11.786 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 4.282 -5.337 -2.698 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 -2.343 2.194 2.809 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 -1.382 20.068 -3.304 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 -0.717 0.052 -3.621 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 13.359 -19.819 -10.053 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 0.829 7.124 29.023 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 -0.320 3.661 2.313 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 13.378 -14.938 2.489 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 14.936 -6.986 1.252 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 2.137 -3.390 1.320 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 -21.619 13.750 16.770 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 -3.905 -11.141 -0.371 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 -2.364 -1.214 8.321 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 -19.116 8.393 11.620 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 13.426 16.187 -2.267 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 -1.432 -1.324 -9.526 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 7.301 -0.201 -14.838 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 4.448 6.341 -6.798 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 -0.120 3.582 7.137 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 -13.129 -11.898 4.817 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 4.009 7.927 6.109 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 -1.964 -1.603 -0.393 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 -13.465 -4.957 -2.870 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 5.435 -3.806 -5.753 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 -2.683 -5.044 -4.164 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -1.934 -12.396 -13.591 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 10.462 -4.928 17.049 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 1.258 -5.886 4.185 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 -4.370 -14.186 16.324 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 11.692 12.955 -27.616 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 -3.675 -4.221 -6.618 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 -4.282 -10.852 9.002 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 -4.522 -13.447 -2.956 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 -4.610 3.706 -4.250 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 26.008 -10.140 23.241 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 -11.497 8.288 -14.258 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 -6.173 1.403 -0.992 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 -0.950 -8.591 -1.151 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 -15.185 3.408 -10.904 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 -0.069 8.530 1.368 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 -7.045 13.391 12.470 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 -1.606 -1.691 -2.431 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 3.264 -2.503 -1.364 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 3.059 3.531 5.767 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 0.229 -13.792 -4.577 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 0.474 -6.422 0.079 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 7.701 -6.106 12.150 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 3.790 16.156 -21.956 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 7.245 6.402 1.920 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 31.918 -9.209 3.626 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 -1.311 12.215 30.686 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 5.241 -0.911 -1.722 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 10.627 4.350 5.001 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 8.193 -8.491 0.854 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 3.112 -1.474 1.481 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 -16.944 12.835 28.833 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 -12.554 10.352 -11.789 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 -1.163 3.157 -0.902 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 19.553 -17.127 3.140 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 0.584 -9.731 -2.905 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 -2.767 -2.999 4.488 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 -11.735 -5.761 18.052 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 -14.275 6.624 12.690 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 -1.772 -0.164 -3.073 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 -2.119 -6.776 3.404 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 -4.374 9.499 0.092 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 -6.993 2.716 -4.519 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 1.318 18.093 -8.297 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 5.128 -24.090 -30.550 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 1.396 2.582 -2.631 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 -16.668 -11.730 -5.596 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 2.441 5.982 0.120 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 0.921 3.311 2.807 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 1.463 5.872 12.238 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 -0.560 3.718 -5.813 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 1.192 4.564 1.839 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 -3.958 8.202 9.814 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 -4.732 6.148 -6.295 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 5.933 2.133 -0.746 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 2.435 -2.669 1.891 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 -5.032 -6.115 1.683 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 -5.212 3.372 -2.106 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 -11.135 0.777 -8.951 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 0.177 5.688 11.596 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 6.455 -0.159 -0.748 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 -7.818 19.807 14.248 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 -0.502 -4.093 -5.921 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 -2.662 5.102 -2.892 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 -3.710 -1.963 -1.139 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 -2.342 -0.836 -4.383 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 7.889 -5.091 5.892 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 5.060 8.392 4.344 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 -3.511 -11.193 7.957 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 7.231 0.654 -0.823 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 -19.337 -8.483 8.508 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 -7.435 -1.914 3.707 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 0.907 -1.854 -5.657 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 -0.207 1.422 -4.612 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 7.104 -11.852 -7.494 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 1.889 4.024 1.487 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 6.051 3.787 -4.564 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 3.431 -20.325 16.145 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 0.480 2.870 3.747 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 -32.795 8.026 -3.299 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 -0.841 5.472 -0.187 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 8.076 3.423 -1.977 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 29.040 11.565 -7.414 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 -14.990 -7.279 -4.488 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 0.406 1.546 -3.770 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 4.438 2.852 -23.800 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 -10.438 3.205 1.466 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 -6.787 -3.020 -4.380 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 -8.027 0.282 -2.154 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 18.574 8.333 -26.421 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 2.186 -0.524 -1.630 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 -13.417 9.495 -6.779 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 -6.331 6.196 -1.031 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 -1.125 -3.327 2.277 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 -2.708 -16.024 -8.126 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 -3.677 2.812 -7.171 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 -6.983 -5.887 -2.859 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 -0.123 1.203 -12.642 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 -8.788 -1.917 8.645 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 -6.137 0.786 6.994 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 -0.048 3.009 12.446 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 -14.348 -1.573 -2.354 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 5.249 -2.124 9.574 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 -5.984 16.330 0.312 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 1.803 4.449 4.137 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 2.968 3.768 -2.450 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 2.672 -5.309 -6.187 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 17.443 12.588 -21.990 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 0.847 2.956 -3.762 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 7.105 3.021 7.850 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 10.251 11.508 7.626 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 -6.171 0.727 4.510 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 7.762 -26.351 4.272 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 -24.559 10.021 5.507 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 1.822 2.367 -4.715 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 -1.628 7.827 -3.834 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 9.100 5.326 -26.293 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 -4.556 1.183 -0.562 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 -5.063 1.921 4.475 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 4.335 -13.251 -6.710 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 1.938 -0.868 -2.026 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 -4.574 8.296 7.556 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 14.294 1.676 -9.051 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 0.503 -2.017 -3.267 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 6.552 -1.040 3.831 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 -1.747 -12.361 -14.035 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 -4.330 0.208 -4.748 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 4.194 3.160 9.642 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 7.685 4.263 -4.588 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 -4.974 -0.084 3.628 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 7.654 -13.968 35.246 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 -10.383 6.230 -10.622 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 -3.997 -4.070 -0.505 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 0.826 -13.446 -2.427 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 -13.521 -6.990 6.972 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 2.104 4.257 3.725 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 4.011 9.292 7.692 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 -2.562 0.236 2.251 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 3.498 3.133 -5.009 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 15.863 9.366 -14.489 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 -0.227 2.290 -2.551 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 4.542 3.825 2.320 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 -0.969 10.393 12.161 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 -21.324 2.488 -4.367 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 -6.391 -6.119 -8.947 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 0.651 -16.896 -22.507 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 6.308 -22.845 -4.596 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 4.911 2.389 -2.270 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 -11.467 -8.903 -0.117 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 19.211 -8.239 -0.029 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 0.517 -5.629 0.552 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 0.448 -4.780 2.957 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 -3.260 3.115 15.734 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 3.484 1.819 -2.185 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 2.243 1.976 -4.726 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 18.282 3.352 6.746 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 -0.382 -2.373 -2.272 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 -6.528 -6.371 -7.160 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 23.907 1.838 16.586 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 7.986 10.606 -1.713 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 8.078 22.885 -8.803 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 -2.440 11.996 5.770 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 -0.163 2.596 -4.134 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 -3.488 0.591 -3.862 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 -10.680 3.808 -4.426 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 0.228 -2.616 -3.666 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 26.860 16.203 1.808 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 -24.507 34.599 16.074 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 -6.400 2.285 -3.754 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 -11.654 -6.456 6.584 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 -10.308 -11.004 2.837 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 0.697 7.218 2.335 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 -3.765 1.348 0.441 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 -23.633 9.025 4.567 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 2.845 -2.544 1.843 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 5.360 1.190 2.449 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 11.686 -9.689 -3.999 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 -4.076 4.016 -0.179 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 3.645 7.482 6.315 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 -4.543 3.418 1.270 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 4.501 5.299 7.255 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 2.618 4.688 7.883 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 -1.688 1.156 10.204 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 3.684 0.426 -11.610 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 6.890 -9.614 -30.228 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 23.803 -9.914 -0.065 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 3.992 1.760 -3.064 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 0.361 -13.642 -4.559 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 5.496 12.182 -9.705 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 3.565 -2.586 -3.140 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 16.746 8.448 3.491 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 -2.599 -22.523 -1.202 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 2.293 1.680 -2.975 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 19.194 -12.106 6.885 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 -2.789 -27.775 -13.669 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 -0.133 6.255 -10.509 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 10.205 -33.228 -18.922 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 11.346 3.327 8.283 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 -6.334 -3.412 -6.348 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 -11.984 -13.654 6.811 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 -7.886 -24.688 12.093 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 -5.672 -1.107 0.586 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 -5.156 3.970 5.338 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 -12.615 -9.209 0.940 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 9.298 8.237 -0.831 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 13.546 12.907 -1.299 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 -28.729 8.058 -29.073 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 -3.776 -2.532 5.611 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 -9.587 -3.443 -2.191 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 -9.940 5.364 -1.741 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 -6.317 -0.203 -4.396 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 10.696 4.355 -11.225 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 -5.829 -5.566 -3.958 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 -1.086 -3.752 -1.395 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 -10.222 1.018 13.178 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 -37.826 -6.510 0.149 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 3.499 -0.485 -0.270 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -6.970 -5.257 -7.467 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 17.854 9.074 5.140 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 -6.923 -8.690 3.277 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 -7.080 11.035 10.017 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 -1.071 -7.836 -16.480 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 9.015 4.109 -5.814 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 17.634 0.945 -19.057 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 -20.907 8.138 11.020 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 -2.171 -7.618 -1.145 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 -1.662 -3.598 0.436 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 3.037 34.118 11.532 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 6.352 2.399 -0.138 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 2.926 -16.222 10.960 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 10.777 9.650 -15.235 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 0.276 -0.503 -4.557 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 9.207 26.672 0.576 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 -0.196 -30.746 12.977 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 -4.047 2.444 -4.679 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 -0.163 0.786 -15.013 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 -22.848 -0.351 -0.655 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 7.496 1.741 2.985 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 11.323 9.017 34.860 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 1.769 9.411 3.398 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 -2.947 -2.422 -1.910 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 -2.977 -5.237 -10.846 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 -27.240 -11.654 -12.829 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 -1.965 -0.898 2.859 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 0.344 -0.352 5.410 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 7.591 2.153 13.763 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 0.349 2.817 1.006 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 -20.190 -4.222 17.792 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 -13.593 17.230 -0.777 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 -8.451 -4.112 -3.112 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 4.169 -10.650 -5.333 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 0.655 5.202 -7.053 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 -0.139 2.799 3.280 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 11.366 -1.751 15.035 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 -0.643 -9.780 -7.583 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 5.295 -1.660 0.468 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 12.484 -13.059 5.340 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 1.600 -1.188 -6.572 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 -0.192 -4.394 -0.421 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 -8.027 -9.325 8.265 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 -14.275 -11.348 43.934 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 -0.791 0.575 3.569 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 -12.574 20.524 0.287 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 -13.871 -13.235 7.310 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 -0.936 -4.058 -5.087 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 -3.906 7.355 -3.250 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 -9.370 -4.776 -9.025 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 5.278 -0.609 3.064 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 1.256 9.095 9.219 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 5.867 -6.662 -0.664 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 0.911 -2.578 -1.883 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 1.018 2.505 10.184 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 -16.159 -0.495 -21.198 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 -0.719 4.619 2.339 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 27.075 -2.426 -1.140 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 -14.344 -20.738 2.713 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 -0.063 1.893 2.866 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 2.637 8.168 5.944 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 -21.956 -13.303 2.639 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 7.000 -0.161 3.683 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 14.578 19.498 -15.881 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 5.306 -3.810 7.535 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 1.700 -0.001 4.680 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 -0.186 3.801 4.804 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 11.030 -25.711 5.993 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 -5.449 -2.559 1.021 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 9.003 2.140 1.651 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 -13.791 5.215 11.634 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 -3.673 -1.678 -2.911 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 -6.698 -9.943 -1.787 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 -7.701 10.887 6.705 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 5.467 1.188 2.821 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 -6.900 -9.488 3.099 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 15.504 7.586 4.875 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 2.120 0.750 -1.192 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 11.760 -12.971 -11.148 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 9.148 -10.836 7.256 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 -7.002 0.357 -3.087 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 -13.010 15.850 -5.405 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 -8.623 7.755 -36.108 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 0.107 7.146 1.464 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 -20.444 20.914 5.238 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 0.077 -9.513 23.196 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 -0.007 -6.965 -2.355 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 8.479 -4.775 -7.021 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 3.963 -8.116 -3.568 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 3.685 -3.146 2.841 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 0.584 16.992 -8.989 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 -11.026 -18.030 -4.100 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 -0.724 3.107 -3.963 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 -19.551 -2.584 -10.496 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 -0.110 3.151 -2.269 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 4.440 3.032 5.758 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 -0.236 3.345 14.411 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 -1.899 -1.707 -0.381 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 6.174 -3.126 3.763 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 0.408 18.897 -17.041 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 -1.381 15.644 -2.385 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 -5.050 -5.110 -6.442 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 1.003 7.011 -6.245 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 -9.035 -1.474 -16.792 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 -8.487 -9.737 4.072 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 4.322 14.785 19.442 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 -10.498 0.540 -27.452 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 4.351 -5.784 -0.912 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 7.928 19.270 11.407 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 2.515 -4.358 -0.788 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 -2.190 -6.427 -4.995 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 -7.162 8.912 -5.572 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 14.081 -7.789 18.965 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 0.357 2.469 2.357 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 17.557 9.934 2.275 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 12.981 3.184 20.788 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 0.684 0.153 -3.741 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 22.638 -11.525 -30.987 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 -8.971 -2.675 0.814 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 4.420 -4.902 -1.484 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 -1.001 -1.864 -0.633 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 14.588 1.570 -1.276 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 5.408 2.028 -0.570 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 -2.223 -1.268 11.242 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 -1.149 -1.097 4.399 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 -5.649 3.031 4.115 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 -6.303 19.509 20.631 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 -8.324 -22.915 3.358 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 -1.112 -1.375 6.644 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 -5.079 -15.612 5.040 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 6.518 36.082 11.058 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 -7.634 -2.473 0.312 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 -6.146 -6.165 -16.287 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 -9.257 -2.920 0.079 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 -3.642 1.853 -2.079 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 20.871 -2.016 -0.693 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 12.372 4.026 9.006 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 -9.053 -4.821 -6.072 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 -30.752 11.984 2.963 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 -23.896 -25.083 -11.182 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 7.376 -4.471 5.360 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 8.127 -3.547 -1.936 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 12.618 10.374 7.156 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 -0.791 0.562 4.569 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 4.822 6.357 -18.659 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 -18.199 -16.894 2.151 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 0.933 0.677 -1.012 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -10.493 8.487 -20.255 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 1.591 -2.737 8.730 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 6.996 0.345 -0.195 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 12.787 -2.948 5.147 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 1.740 4.936 4.264 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 0.652 -9.760 -2.730 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 11.563 14.686 -3.508 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 -12.448 -7.337 3.211 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 0.055 1.658 3.021 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 1.528 -8.293 7.297 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 2.267 5.186 -1.183 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 -7.643 0.049 -3.503 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 19.426 10.700 2.116 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 -9.969 -24.751 -10.630 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 3.761 -2.608 2.739 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 -1.190 -15.711 -6.696 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 14.663 5.720 15.844 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 3.801 -2.061 7.055 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 2.995 -9.868 1.240 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 8.583 8.714 8.717 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 2.260 3.625 -2.242 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 6.550 -1.627 -6.908 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 11.736 -8.872 -13.740 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 -1.479 -3.204 -6.445 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 21.004 23.111 28.483 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 -17.649 -4.281 -2.373 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 -3.723 -2.168 2.023 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 -1.686 -17.284 2.829 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 -5.120 3.408 -0.688 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 3.967 -11.047 4.034 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 5.029 -29.636 7.779 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 1.573 -5.885 -0.728 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 -8.907 1.274 -2.862 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 -9.511 5.192 1.254 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 -0.615 -11.755 -8.701 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 -0.572 -2.572 4.864 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 35.766 1.796 -7.986 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 -1.877 1.424 2.412 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 8.500 2.608 -1.718 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 2.675 -4.981 2.817 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 11.345 -1.070 -4.777 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 -0.991 -5.935 -0.391 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 -4.518 7.189 1.209 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 -8.671 20.946 0.130 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 6.149 1.022 -2.460 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 -6.720 11.283 -4.585 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 -13.268 6.745 -5.896 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 1.519 -12.003 -1.193 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 9.080 -4.792 -9.647 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 -0.891 -18.145 12.648 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 -7.215 -1.075 4.765 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 -16.982 4.927 2.052 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 -9.679 2.601 6.985 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 5.329 2.312 -0.667 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 6.529 16.949 18.824 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 -10.228 -23.954 12.321 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 1.830 -1.447 0.357 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 2.892 -12.026 -13.641 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 -7.786 11.107 6.618 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 4.148 -1.279 -0.253 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 6.084 5.105 21.437 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 5.596 -17.432 -3.374 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 -0.348 -1.783 1.454 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 17.733 -18.311 0.669 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -9.306 0.940 0.555 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 0.781 4.690 2.347 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 -21.096 -7.849 3.156 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 -14.948 4.506 -13.115 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 1.573 5.724 -3.475 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 -20.510 -18.543 -6.579 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 7.412 9.876 -4.047 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 -3.913 2.869 1.657 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 -8.595 6.629 -5.453 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 2.089 7.849 8.492 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 0.281 -0.543 3.982 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 4.077 6.895 -6.834 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 -0.894 -16.513 15.380 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 1.854 -1.092 0.579 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 -22.826 14.323 12.948 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 -10.516 -25.687 -8.655 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 0.343 1.116 3.298 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 -20.813 -8.999 -4.977 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 22.825 10.630 -0.770 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 -4.578 -0.757 -6.877 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 -20.524 -25.619 -10.661 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 -31.732 -6.489 2.420 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 7.071 2.044 -2.239 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 9.094 4.431 -34.829 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 14.377 -27.060 -3.542 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 2.497 -5.765 -3.896 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 21.026 10.426 -1.386 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 9.244 -14.981 3.361 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 -1.996 -4.621 -3.561 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 3.869 1.386 -6.556 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 -13.365 -20.273 -3.417 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 -0.942 1.047 1.822 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 3.520 -20.444 9.748 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 12.797 0.205 11.852 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 0.410 -0.022 1.925 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 21.306 20.379 12.581 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 14.528 -3.944 -16.726 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 2.799 6.872 -3.479 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 -8.908 25.413 -30.519 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 6.163 -2.923 16.438 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 -3.908 -5.274 -3.853 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 1.941 9.680 8.283 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 -16.090 -0.335 13.692 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 2.222 -2.427 -2.961 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 2.796 -1.733 -13.940 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 -11.923 -1.528 -1.103 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 -6.208 6.455 -0.920 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 -1.028 9.894 -3.067 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 -6.145 -0.146 -6.120 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 3.691 3.696 4.257 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 -5.330 3.340 10.828 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 4.825 4.729 -1.378 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 2.131 3.292 5.080 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 17.757 21.992 14.886 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -0.914 0.093 2.707 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 -2.566 0.827 0.406 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 -27.076 -10.786 -11.739 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 16.569 4.672 -25.007 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 -0.748 2.048 -8.926 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 -4.103 7.399 -3.799 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 1.256 -8.978 -4.279 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 -2.583 3.728 1.066 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 -1.261 6.493 -0.871 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 6.026 -13.521 -22.269 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 -0.291 -9.176 9.286 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 2.443 -1.410 23.474 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 8.482 7.686 15.599 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 1.026 -0.109 1.454 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 11.123 -20.500 -25.506 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 -6.660 9.755 3.261 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -2.877 2.780 2.243 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 11.602 -1.132 -6.136 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 1.241 16.207 8.948 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 -4.678 2.907 -3.953 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 8.644 12.601 14.260 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 8.387 15.491 23.003 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 3.667 5.380 3.620 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 4.161 6.364 7.275 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 -11.422 5.879 -7.793 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 0.898 -2.866 -7.639 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 -1.714 4.909 -9.336 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 -19.518 -13.796 3.482 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 -0.656 -2.188 -6.716 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 8.071 8.524 -1.273 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 14.716 -11.666 25.230 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 -1.871 -4.392 -6.859 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 28.778 13.779 -11.822 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 -8.011 -12.989 -7.920 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 2.386 -1.661 -5.503 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 -16.934 -5.100 -2.500 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 0.794 11.892 -7.244 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 1.579 -0.757 -3.187 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 20.419 -19.085 20.168 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 -12.287 38.716 -2.802 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 4.436 1.662 -2.640 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 9.239 9.773 -5.620 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 8.861 -7.364 -7.935 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 -2.766 2.800 -2.607 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 -7.526 6.440 1.583 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 -3.983 -5.109 -3.686 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 4.641 -2.877 -10.314 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 -1.289 6.117 1.110 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 -14.576 32.476 23.905 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 7.658 2.372 -1.176 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 7.402 -5.295 4.821 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 10.431 14.693 -8.798 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 7.168 -3.215 1.009 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 -11.519 3.046 -4.367 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 10.342 -3.429 -10.094 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 6.277 0.346 -1.568 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 -2.008 -29.126 22.804 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 -16.508 10.034 10.440 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 2.346 4.473 -1.488 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 -8.264 3.866 -3.604 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 -10.320 11.201 -3.346 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 -8.403 2.609 2.161 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 -26.282 9.122 -7.468 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 -18.020 -7.765 41.471 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 -0.317 -2.009 -2.786 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 -11.728 -0.695 19.760 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 -5.075 -5.358 -10.324 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 2.266 0.257 3.459 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 -1.837 0.933 6.665 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 -4.325 2.780 -4.310 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 -0.583 -4.326 4.963 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 14.186 -5.233 8.408 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 -14.557 2.718 7.199 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -2.483 0.002 6.993 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 -3.119 10.566 7.205 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 -4.132 6.311 8.305 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 3.301 3.349 -3.012 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 -1.312 -4.777 -2.982 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 4.044 9.159 -9.062 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 -4.823 1.728 -4.587 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 8.159 -8.568 -20.827 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 -1.336 -11.213 14.956 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 11.938 -2.988 -1.966 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 13.059 -3.759 -3.608 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 16.750 -2.886 3.722 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 5.531 -4.641 -1.376 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 -2.521 -8.314 -19.523 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 28.752 -27.019 -7.274 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 -0.365 -3.399 -6.461 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 19.704 -18.543 -0.656 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 10.660 -8.533 -3.164 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 -6.142 1.010 -6.960 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 6.269 13.926 -2.641 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 7.932 -13.211 -7.788 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -2.137 7.478 0.263 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 26.365 3.009 -8.676 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 -3.879 7.570 2.525 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 3.311 0.203 2.157 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 0.389 1.289 4.950 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 -1.707 0.330 2.890 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 -4.145 2.907 -2.970 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 0.006 9.028 -4.126 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 -13.553 1.603 2.906 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 1.766 2.806 3.123 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 0.607 3.180 7.743 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 1.013 1.516 2.804 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 -2.064 3.877 5.898 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 -19.509 -2.261 6.106 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 9.316 5.377 4.816 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 1.489 -0.979 -3.148 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 -8.512 -10.116 -3.603 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 4.163 11.260 23.542 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 -6.209 -1.709 -5.058 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 -0.228 11.816 8.842 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 -0.606 -18.634 4.540 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 5.037 -5.147 -6.755 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 3.976 -0.520 4.821 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 5.604 10.726 22.622 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 -5.333 -4.941 2.033 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 7.605 2.684 9.007 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 -12.418 -3.627 2.264 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 7.465 -1.407 4.212 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 -4.363 0.714 -14.167 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 10.991 -2.391 7.786 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 2.109 -5.020 1.658 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 14.527 -9.212 -6.895 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 0.397 -3.141 4.918 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 5.621 1.130 -4.445 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 2.973 -4.055 -5.741 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 1.674 -3.839 -7.813 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 1.483 1.823 3.739 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 -12.839 20.749 7.344 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 20.545 -19.164 -2.139 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 -5.778 -3.335 -8.666 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 -9.410 6.592 -13.017 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 -7.053 -2.566 -18.576 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 -4.639 -2.995 -3.974 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 -5.206 -4.022 -9.616 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 -20.821 -17.893 -1.078 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 1.771 0.192 -6.345 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 9.988 6.181 -0.803 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 11.290 5.578 0.274 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 -2.926 -3.967 5.366 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 -17.964 -3.006 -13.998 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 17.593 -3.834 -10.056 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 0.831 -3.806 1.902 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 -1.498 22.840 6.987 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 -10.273 -2.454 -28.490 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 4.898 -2.664 -0.118 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 0.975 -7.934 -4.369 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 11.531 4.594 7.498 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 2.418 -0.964 1.700 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 -10.549 -5.248 0.921 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 -7.931 -20.709 2.558 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 4.732 -1.251 -7.414 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 2.190 8.287 3.778 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 17.169 9.604 -3.288 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 -4.201 -1.002 -3.616 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 -14.159 -9.409 -2.992 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 -21.674 -13.126 -10.483 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 -4.307 -4.100 -6.014 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 -10.937 4.945 -4.437 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 6.552 -7.730 2.825 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 -1.759 -3.181 -8.432 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 22.594 -5.870 4.097 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 -7.105 0.817 0.103 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 -3.359 -2.247 -2.343 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 -1.711 -3.078 -5.306 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 3.125 7.520 -17.956 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 5.116 0.563 -0.933 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 -9.065 3.536 12.453 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 -0.648 -6.511 2.822 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 7.003 1.098 -5.783 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 21.932 -7.606 13.647 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 -19.719 29.451 -2.515 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 -2.885 2.947 1.177 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 4.748 -14.396 -20.534 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 -4.245 21.684 25.564 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 1.780 -0.124 6.730 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 -10.832 4.933 -3.942 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 -7.562 14.854 2.519 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 7.676 6.621 6.361 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 -4.077 11.168 3.145 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 12.805 -9.428 8.414 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 5.341 1.847 0.810 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 3.131 -0.112 9.072 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 -2.902 0.540 -3.155 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 2.684 0.553 -3.523 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 4.567 1.451 4.485 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 -1.291 9.342 3.303 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 -2.636 3.399 3.134 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 -12.428 -7.267 -16.047 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -5.916 -5.408 -12.896 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 -5.191 -4.165 -3.560 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 -9.406 -3.640 0.400 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 -2.699 2.226 -6.523 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 9.362 -2.293 -1.261 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 5.522 -1.553 -7.328 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 25.712 8.469 -11.412 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 5.530 3.168 4.352 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 14.601 7.284 -3.592 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 2.744 -0.676 9.963 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 -2.267 5.853 1.944 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 -3.762 21.494 -1.630 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 -24.041 5.617 1.384 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 1.525 1.816 -5.428 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 0.157 -7.173 1.903 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 21.320 22.703 -18.711 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 0.599 8.567 0.813 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 3.832 25.045 19.357 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 22.321 7.416 -9.731 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 0.620 -1.487 0.814 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 -2.203 -15.538 1.975 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 18.426 -20.015 -3.842 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 0.024 -1.001 -1.603 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 -9.371 -11.643 -1.330 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 -0.052 6.365 3.110 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 -3.446 4.163 -2.718 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 36.587 -1.729 -21.155 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 6.072 -3.154 -1.923 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 -4.615 -5.262 -2.014 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 -4.210 -24.598 -14.507 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 5.098 11.487 -8.751 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 4.074 -3.083 3.756 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 -5.586 1.170 -17.258 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 0.370 -26.097 -7.859 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 -2.188 3.764 4.063 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 -45.959 8.067 5.726 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 25.095 -5.772 4.148 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 0.361 2.572 1.937 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 6.767 -31.087 14.286 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 -13.434 9.087 2.231 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 6.288 0.645 -0.003 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 6.101 8.169 1.870 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 5.225 -2.625 -1.703 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 6.699 -3.489 2.217 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 4.866 6.872 -2.039 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 3.600 -28.114 -4.348 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 4.300 5.928 -2.693 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 12.353 -13.675 3.530 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 -16.554 7.623 5.294 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 -7.274 -1.070 -2.810 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 7.482 9.938 5.203 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 6.782 14.514 -19.360 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 -4.331 2.165 -0.314 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 -2.841 -6.004 3.528 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 1.844 -3.721 8.424 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 0.238 -1.597 -0.517 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 0.700 -4.516 -4.576 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 1.009 0.158 3.478 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 0.790 1.314 0.297 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 16.362 -1.539 -1.166 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 4.016 -21.927 4.127 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 -5.553 4.071 0.050 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 -5.727 -11.716 -4.147 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 -16.571 8.484 -1.991 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 2.726 -3.982 -0.398 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 -4.305 -4.780 -3.244 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 12.307 0.390 -4.569 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 -0.061 0.654 -1.842 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 4.915 -0.750 1.088 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 -5.597 -3.222 2.612 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 5.273 4.122 -3.996 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 4.026 3.276 -4.555 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 7.629 -1.356 -6.291 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 2.646 7.964 -0.590 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 -11.893 -8.720 12.205 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 -6.047 14.890 -25.920 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 11.403 -4.493 2.391 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 -6.969 -3.846 2.634 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 -16.575 -1.021 -19.103 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 -2.233 0.749 -4.044 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 -10.874 3.210 18.493 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 -13.728 -18.063 -2.874 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 2.305 -5.101 -5.894 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 18.783 -8.241 10.179 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 -5.285 -9.237 -12.339 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 0.099 0.105 2.186 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 -7.063 3.208 -6.079 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 -2.265 14.786 4.877 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 0.206 6.129 -2.276 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 -2.814 -8.945 -12.035 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 8.734 1.147 -11.563 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 2.648 -2.781 1.782 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 -18.136 -5.882 5.694 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 -12.474 -1.255 -18.912 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 -3.113 0.497 6.267 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 2.669 9.311 13.959 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 -0.261 -9.886 11.342 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 -0.178 -1.252 -3.721 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 7.207 1.566 -9.489 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 3.440 12.715 3.047 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 0.039 0.947 -2.279 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 0.022 10.691 1.068 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 -4.828 2.151 12.856 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 -2.402 -1.382 -0.239 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 -2.086 4.007 8.767 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 -8.998 5.806 -19.209 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 -0.740 -3.651 3.173 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 1.054 0.341 2.306 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 -26.138 -17.295 -11.749 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 -8.100 4.640 -8.540 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 0.024 -9.916 -22.400 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 3.079 23.353 -16.655 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 -2.578 -2.529 -2.592 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 -25.439 -13.306 -1.569 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 -6.049 6.681 17.564 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 -2.465 -3.535 0.029 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 -5.170 -1.474 20.640 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 4.819 -16.348 -6.576 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 -2.413 -1.171 -1.389 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 -3.324 -2.908 -2.722 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 -1.023 0.083 -1.219 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 -0.634 -1.972 2.878 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 -4.278 -3.194 -16.749 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 6.170 -3.484 21.988 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -0.523 -1.599 2.278 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 -8.596 22.071 7.921 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 5.552 -0.549 -23.079 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 -11.870 2.331 -1.056 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 -1.958 19.173 -13.459 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 -0.143 7.702 -13.550 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 -1.032 -4.134 0.538 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 -3.598 -0.828 -3.790 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 -6.183 2.877 -8.596 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 -4.934 6.795 0.988 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 0.380 16.497 -6.221 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 -24.545 7.984 15.054 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 -2.726 0.342 -0.464 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 -18.990 22.864 -14.576 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 -2.565 1.849 -16.670 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 7.765 -3.345 -1.520 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 15.663 -10.824 -4.992 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 7.046 24.853 13.986 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 5.138 -3.457 4.551 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 -1.691 -15.654 -11.478 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 -18.809 4.898 29.029 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 -6.866 -1.214 -3.574 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 -13.318 1.946 18.798 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 -20.199 16.586 -14.487 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 2.029 2.565 6.821 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 -29.426 -2.928 8.737 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 20.244 -0.531 1.867 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 -2.664 -0.890 -4.303 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 -1.080 -4.922 -15.042 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 3.070 -3.716 -9.573 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 5.455 2.183 0.571 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 -6.175 2.268 17.781 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 27.686 37.455 16.374 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 -3.943 4.872 -0.544 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 3.642 -0.215 -16.503 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 2.250 0.561 -10.413 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 7.630 4.008 -1.961 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 17.076 22.560 -9.352 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 9.241 2.931 24.757 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 1.342 5.464 -2.563 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 12.964 11.156 -22.130 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 -9.948 25.632 5.192 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 -0.859 -0.237 1.444 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 4.014 -3.673 -4.648 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 1.200 4.325 -2.879 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 -4.702 4.313 2.171 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 -2.283 2.726 -0.698 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 -7.162 3.778 0.562 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 -4.028 0.574 1.435 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 -47.040 -12.998 -22.153 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 4.755 3.755 5.623 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 4.319 -0.497 -0.182 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 2.786 -11.182 5.281 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 -2.348 -0.016 3.811 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 3.323 -6.289 -2.375 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 -4.252 -17.792 5.719 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 3.732 -15.499 -8.169 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 1.759 -2.798 -2.249 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 5.240 -4.500 6.727 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 4.483 1.992 -0.035 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 0.204 1.138 -10.147 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 -2.328 7.148 -11.525 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 -6.342 -0.850 0.082 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 -0.253 -5.777 2.464 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 4.221 -2.036 9.942 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 -12.368 -7.444 -9.435 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 1.199 5.621 -5.307 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 8.121 3.056 -12.028 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 6.585 4.186 -10.658 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 -1.276 0.562 1.329 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 0.547 -1.076 -9.226 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 3.797 7.685 15.328 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 4.021 4.627 -6.044 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 5.227 3.139 -15.021 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 -2.892 1.245 11.616 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 7.293 3.213 -3.285 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 20.060 -5.846 -11.198 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 -1.516 -8.712 5.447 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 -2.119 1.515 -1.257 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 -5.291 -1.585 -4.640 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 -5.785 -34.142 7.120 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 0.657 5.930 0.176 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 -25.580 8.426 -3.174 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 1.893 -11.808 6.949 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 2.336 0.627 -2.146 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 -7.649 -3.350 17.581 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 7.290 2.978 -10.590 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 1.883 5.581 -0.580 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 15.669 6.342 6.986 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 -3.556 2.733 9.214 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 -0.757 -5.188 2.850 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 -9.854 -10.859 -4.853 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 -2.208 -12.310 14.307 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 2.861 3.186 1.333 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 -20.629 -13.586 1.317 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 10.498 1.924 -6.962 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 -1.167 3.353 -1.182 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 -6.203 -1.510 16.704 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 -2.499 0.767 -3.297 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 -0.318 1.174 1.383 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 13.467 -3.282 3.324 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 10.031 -10.143 5.887 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 -7.724 0.599 -1.829 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 8.157 26.315 2.049 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 -10.915 12.117 7.047 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 -0.512 4.680 -1.785 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -6.560 2.150 -12.760 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 -6.456 2.027 11.802 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 -2.632 -4.271 1.981 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 -5.752 10.282 -11.256 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 6.883 -14.652 -4.135 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 -3.643 4.220 1.618 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 -1.911 -0.473 -8.148 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 -4.891 -3.654 5.551 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 -0.036 0.616 0.516 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 -6.936 -16.297 -30.124 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 -17.706 1.866 -12.310 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 5.165 -5.134 -2.635 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 19.654 -14.037 3.540 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 11.518 -8.994 0.439 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 6.265 -4.184 -1.953 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 14.204 -5.937 -1.211 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 -8.835 0.766 -3.221 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 -9.167 4.370 6.402 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 -10.810 -2.394 12.245 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 -17.333 8.005 2.316 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 -3.658 1.535 0.024 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 10.808 -12.396 10.829 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 -1.926 7.913 12.387 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 -0.398 -3.100 5.218 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 -0.095 -4.836 4.332 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 -0.136 -4.946 4.405 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 1.310 4.513 -3.740 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 -18.479 -7.344 -2.878 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 25.488 8.340 -9.392 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 -2.500 -0.866 -6.042 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 -3.828 -11.075 -1.172 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 19.825 -4.675 -14.942 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 2.094 -1.238 3.096 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 6.685 -0.711 -5.130 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 2.715 -3.121 13.631 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 -2.972 0.238 0.201 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 1.178 1.664 2.314 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 -0.777 -5.161 -3.981 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 1.230 5.286 7.049 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 -4.137 6.649 -4.242 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 0.958 14.647 10.694 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 7.231 -5.963 1.752 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 6.109 13.336 19.223 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 2.120 -17.577 18.780 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 -0.754 0.202 4.462 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 -24.172 -28.201 9.660 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 8.601 12.818 2.626 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 -6.315 9.875 -2.344 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 -1.987 16.215 23.384 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 -24.945 -11.528 0.543 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 1.120 -1.222 3.043 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 -16.131 -1.847 13.803 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 -20.740 -7.846 -9.578 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 -0.971 2.011 3.975 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 -5.148 -4.337 -2.670 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 -4.402 1.941 8.330 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 -7.362 -0.957 -0.845 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 -3.965 -6.366 7.599 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 -6.471 -19.502 -20.278 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 2.534 -2.663 1.471 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 14.163 -5.715 -12.131 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 -0.417 -5.786 3.500 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 7.147 3.441 -1.522 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 2.102 0.269 -9.424 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 7.972 6.988 6.593 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 13.621 8.611 -1.241 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 -0.074 9.496 -1.958 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 1.982 -3.396 1.412 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 1.026 -5.545 -4.656 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 -4.872 -14.696 0.681 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 -22.046 -6.388 5.336 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 -1.794 -0.814 -0.267 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 -10.937 27.351 3.068 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 -7.806 21.350 5.845 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 2.469 7.291 2.103 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 2.817 -28.219 -1.286 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 -10.971 11.256 -5.278 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 -0.355 -0.428 -0.586 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -19.368 3.679 -6.516 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 -14.145 9.881 12.759 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 6.185 2.477 -0.729 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 4.530 6.035 -4.652 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 5.353 -5.985 6.636 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 3.837 3.603 -7.157 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 -1.553 -1.113 -11.456 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 9.118 0.809 -4.899 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 0.132 6.285 2.533 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 8.103 10.085 -14.498 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 -1.200 -2.912 10.535 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 -2.060 -5.629 0.938 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 18.723 -0.694 2.937 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 -2.274 -6.880 1.238 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 1.300 3.753 2.377 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 0.715 3.935 -5.877 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 -6.070 -0.110 4.124 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 2.669 0.030 -2.997 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 7.081 11.547 -8.288 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 4.370 -4.893 10.247 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 0.496 -2.350 1.177 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 -13.505 -13.497 -16.628 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 -6.594 -4.444 29.524 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 0.857 2.674 -5.839 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 -7.489 -2.707 5.719 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 -9.048 7.359 -15.529 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 1.584 -6.392 7.619 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 -4.479 11.298 -9.828 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 -1.898 -16.760 0.925 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 -1.994 -1.352 -1.099 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 -4.666 -14.134 22.675 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 -23.475 -1.991 11.570 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 -2.183 -5.175 -1.442 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 -35.216 -17.141 -3.322 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 12.257 12.920 1.286 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 -0.030 0.107 3.214 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 -23.821 -9.006 6.399 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 -13.093 8.894 13.726 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 4.338 -7.042 0.925 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 -6.146 -15.017 0.249 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 11.949 -0.069 6.841 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 2.975 -2.229 2.106 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 -0.683 -0.792 -2.225 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 13.022 10.467 6.510 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 -1.206 6.317 2.501 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 5.884 0.805 20.089 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 -9.406 7.389 9.996 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 -0.615 -4.660 -0.110 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 -15.725 7.393 -15.266 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 -5.266 22.191 20.843 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 2.918 -0.810 -8.773 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 17.635 12.198 4.628 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 0.969 2.009 -14.543 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 -1.962 -0.555 1.676 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 -1.380 8.617 -2.438 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 -13.899 -6.928 15.297 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 -4.798 -2.973 2.112 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 -7.089 -4.088 -15.324 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 -0.832 -3.039 -11.032 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 7.692 5.500 -2.330 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 8.159 -7.068 -11.153 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 7.466 18.740 6.297 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 0.956 -2.741 -6.980 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 -2.447 2.462 -2.749 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 -14.326 -4.715 -5.955 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 -2.554 4.374 4.246 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 19.649 13.188 2.826 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 -15.096 -3.051 10.277 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 -0.195 -0.262 -1.113 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 9.172 -7.440 -14.502 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 4.733 -1.821 5.864 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 5.427 -2.280 -6.174 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 5.045 -3.558 -0.860 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 6.390 3.327 -5.765 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 4.394 3.759 -1.609 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 24.685 6.190 4.463 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 0.971 4.773 -2.388 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 -3.364 0.537 -7.199 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 -9.616 -1.416 -13.690 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 -13.562 9.855 -6.952 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 0.887 -2.395 5.049 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 -10.123 8.467 2.910 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 6.551 -4.709 -11.230 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 0.908 -3.562 -0.962 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 10.084 4.004 7.067 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 11.583 -16.347 0.960 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 1.326 4.625 3.754 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 11.022 22.544 3.686 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 -9.333 4.704 15.751 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 -1.280 0.595 4.237 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 -4.920 -5.362 -6.326 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 -11.161 21.917 12.915 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 0.243 -4.178 4.411 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 -5.850 -4.351 6.804 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 -3.432 -7.844 -4.833 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 -2.104 -5.271 2.445 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 3.917 -10.288 0.378 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 -3.098 -5.630 10.741 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 6.274 3.129 2.500 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 13.517 2.738 -5.313 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 23.832 6.215 -0.006 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 2.807 8.326 -2.490 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 5.243 16.081 4.268 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 -11.402 -6.716 16.947 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 -2.546 -2.165 2.890 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 -6.048 -10.157 12.066 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 -3.265 -2.115 -1.559 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 0.309 6.394 -3.349 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 0.502 6.715 4.763 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 4.219 -5.084 -19.960 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 4.722 1.254 -0.328 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 6.255 -6.875 1.973 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 -11.275 13.444 9.832 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 4.382 -5.001 -0.713 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 -1.518 -16.869 -1.639 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 14.169 -1.264 2.536 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 -1.474 -2.721 0.828 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 -13.226 5.820 3.051 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 9.030 -6.198 -1.343 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 1.968 -3.049 -0.769 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 4.299 -2.990 -0.094 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 0.588 -0.831 -1.947 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 -3.879 -0.118 -2.014 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 13.422 18.281 11.153 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 -11.196 37.049 9.192 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 5.045 2.537 -3.395 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 -3.795 12.328 10.878 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 -3.147 2.516 -4.195 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 6.805 -3.528 -7.659 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 -14.653 -9.941 3.089 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 11.638 16.223 1.211 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 -4.804 2.025 0.358 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 21.448 -14.316 -16.861 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 -14.475 -27.525 12.227 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 -6.908 0.917 -1.825 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 28.135 3.200 -14.992 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 -9.714 1.739 -1.643 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 -4.473 1.418 -2.402 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 -17.849 -23.573 11.834 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 -2.164 1.007 -5.559 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 4.603 1.547 -0.515 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 12.349 -1.505 -7.805 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 -21.110 41.472 7.891 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 -4.716 -5.784 9.046 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 -13.379 -0.659 -10.369 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 2.474 -0.763 -19.686 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 3.830 1.332 2.835 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 17.322 4.226 15.027 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 1.601 -17.126 -16.908 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 -7.755 4.591 -1.012 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 6.642 -13.525 17.367 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -33.527 -12.279 3.963 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 -5.386 -6.278 -2.270 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 -11.674 5.167 19.852 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 1.776 -4.559 16.210 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 -2.264 5.573 -0.856 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 -7.182 15.917 6.268 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 -0.169 3.563 -1.563 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 -9.548 2.927 -0.694 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 4.689 11.646 11.531 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 -12.495 -2.672 -16.562 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 0.924 -5.244 -0.345 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 7.188 -4.227 -0.758 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 -1.819 -7.108 3.593 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 -1.473 -3.497 -8.665 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 -18.934 -17.609 -1.429 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 2.694 -10.625 -4.880 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 3.398 -2.120 7.686 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 -2.108 -4.198 -2.777 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 -2.315 -12.468 14.033 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 4.235 -1.108 -5.094 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 -0.300 -8.594 -20.578 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 -11.885 10.742 -14.223 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 1.703 6.889 3.117 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 8.596 3.991 -9.331 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 0.967 10.351 3.966 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 5.639 2.708 -1.909 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 -41.736 2.734 14.107 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 -9.891 -1.914 4.835 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 0.454 -0.461 -3.181 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 4.331 4.019 -4.243 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 -18.509 -3.191 -4.641 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 2.692 1.647 0.000 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 4.241 -3.177 -6.182 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 22.758 -5.941 12.347 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 3.573 1.154 3.742 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 5.579 -3.226 8.742 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 3.105 -0.597 4.381 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 1.677 1.406 1.220 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 -12.557 -4.472 3.843 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 2.691 7.570 -5.541 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 3.751 -4.885 -3.241 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 11.385 -25.535 -0.478 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 -2.627 -5.971 19.697 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 -4.658 -0.695 9.991 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 -10.230 0.246 12.919 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 24.376 -10.785 -1.636 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 0.813 5.921 6.798 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 9.392 -7.102 0.251 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 6.385 7.712 22.698 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 -3.242 -3.177 1.195 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 8.588 -14.006 -0.512 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 8.984 0.086 -2.020 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 -3.983 -3.220 -2.661 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 -1.039 -0.974 4.307 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 -8.067 -10.445 -1.095 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 -0.170 -6.036 -3.962 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 -0.276 12.638 -24.572 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 10.686 23.975 -10.504 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 -0.572 -5.956 -5.270 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 7.323 -9.999 -5.914 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 -20.945 -19.445 -11.396 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 -5.524 -3.045 4.342 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 12.350 19.679 22.934 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 9.738 -0.140 -24.483 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 5.629 2.304 2.453 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 24.536 6.636 7.416 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 15.841 6.560 6.600 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 -0.362 -5.345 1.617 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 -10.883 18.397 8.070 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 -10.864 14.865 4.893 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 -0.718 1.738 -1.570 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 -13.132 14.661 2.130 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 -11.472 30.350 -13.076 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 0.163 6.127 -1.768 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 2.869 11.605 -0.503 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 -0.591 5.313 -2.167 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 3.146 7.149 5.293 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 19.153 11.395 9.065 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 11.957 9.285 -6.284 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 -3.971 2.448 0.674 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 13.104 7.839 -9.513 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 17.836 16.158 -7.665 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 -4.802 0.477 -0.625 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 8.985 -4.411 2.076 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -9.707 17.566 20.826 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 -3.732 -2.827 0.735 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 -4.513 -4.195 9.878 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -8.310 1.570 17.753 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 3.409 -0.504 -1.478 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 11.374 1.350 -2.195 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 31.231 6.719 -4.151 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 -6.389 0.870 4.945 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 -5.259 14.853 -5.277 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 -5.325 15.030 -5.818 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 6.257 -0.733 1.446 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 5.594 1.965 -2.910 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 4.116 -10.992 -2.589 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 -3.559 -1.983 4.453 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 4.567 2.028 8.721 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 -11.058 -38.191 13.275 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 2.176 -0.084 -1.368 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 15.317 -14.379 23.347 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 -4.325 26.048 -7.252 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 2.605 3.490 2.213 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 14.541 7.723 -8.121 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 -8.176 13.940 -3.265 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 -2.668 -1.755 5.477 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 12.681 5.133 18.307 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 -17.864 -4.710 1.808 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 1.032 -4.496 -0.408 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 4.989 -4.487 7.342 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 0.434 17.352 -7.552 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 3.659 -3.110 -2.857 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 -23.261 7.737 -8.377 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 0.509 7.200 8.327 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 5.764 0.050 -3.919 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 -6.703 10.700 4.044 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 0.654 -1.406 -7.287 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 -2.881 2.627 2.298 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 -0.241 1.243 1.053 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 -7.431 -0.023 14.294 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 -0.530 4.290 -2.943 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 8.285 -5.629 -7.965 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 17.623 5.615 -1.342 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 -6.350 -7.484 -3.754 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 0.249 4.589 -16.404 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 -9.655 4.533 3.255 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 -2.154 -0.775 6.620 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 -10.522 11.627 -17.375 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 -11.637 -18.555 -9.221 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 -0.098 -8.106 2.839 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 -12.349 13.236 9.391 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 -12.791 16.952 10.604 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 4.115 -2.010 1.375 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 11.832 5.446 21.237 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 17.853 3.348 -1.738 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 -5.604 -3.696 -0.556 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 -6.954 13.560 -0.050 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 9.687 -5.456 0.640 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 -2.426 2.884 -2.474 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 -12.694 -2.942 -5.782 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 2.737 1.968 8.142 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 -5.283 6.025 0.050 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 13.935 -6.277 18.235 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 -24.436 -9.232 -5.471 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 1.495 1.262 -2.067 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 5.517 -14.280 -9.164 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 16.906 7.206 5.220 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 -2.042 7.227 4.592 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 -19.187 -7.786 6.235 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 9.721 -8.643 7.120 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 -0.774 -2.965 -7.520 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 -23.223 0.311 0.466 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 0.273 -11.632 20.729 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 3.473 -3.279 -3.354 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 -2.485 -20.963 -3.280 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 6.561 0.690 -3.259 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 0.020 0.228 -3.467 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 9.671 15.627 -29.298 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 -1.111 -0.711 -1.365 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 -0.917 2.100 0.488 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 -4.943 -7.450 -12.052 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 15.515 -0.373 2.804 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 -4.591 6.136 12.082 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 25.186 16.657 4.506 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 -2.184 -2.394 -19.793 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 -2.232 2.821 3.738 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 14.448 7.843 12.130 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 -4.204 2.716 0.344 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 -3.881 -3.980 2.298 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 -15.778 -15.781 -2.231 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 -3.138 -15.852 11.996 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 0.058 -8.633 -0.123 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 -0.112 -3.463 -8.883 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 17.203 -7.638 -6.569 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 -3.233 5.731 -1.533 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 10.929 -2.290 -18.140 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 4.421 3.788 11.716 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 0.147 -1.532 -0.777 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 1.389 0.981 -22.086 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 8.567 13.568 25.785 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 -1.278 -4.712 3.044 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 -1.023 -7.874 7.014 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 -3.539 2.313 -3.888 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 -4.329 2.087 1.882 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 -10.351 -0.842 7.292 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 -19.078 -0.902 11.253 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 4.778 5.159 0.041 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 2.332 21.283 14.260 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 -2.864 49.936 13.481 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 -6.430 -0.661 6.067 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 -11.914 -4.082 8.026 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 3.515 2.042 -2.404 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 7.370 -2.987 2.372 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 10.343 8.495 20.939 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 -13.156 -10.737 6.973 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 -0.176 3.628 -10.323 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 -2.104 10.797 -6.217 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 1.304 -3.689 -3.328 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 0.092 1.838 4.021 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 -8.950 9.626 0.951 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 -0.162 -7.017 -2.771 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 -5.966 4.446 -1.055 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 9.147 9.978 -12.027 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 -12.645 -3.715 -4.011 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 1.269 -5.848 -0.184 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 6.009 -17.646 -3.082 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 -4.352 -12.091 -13.185 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 -0.137 -3.713 -1.447 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 -6.935 -2.855 2.983 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 -0.364 -5.480 -9.189 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 -6.449 -2.048 -1.386 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 -0.300 25.467 -0.143 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 -32.065 -1.682 -13.832 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 -2.179 -2.831 -1.589 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 21.823 -22.283 -17.333 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 -3.551 -12.927 -3.434 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 2.110 -6.713 0.753 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 4.212 -2.459 10.615 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 21.324 -24.212 -0.039 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 9.321 -4.629 4.755 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 11.812 1.871 4.205 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 -2.297 -5.064 4.919 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 -9.364 -0.034 -2.296 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 -15.821 1.064 -7.998 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 -12.364 3.721 4.940 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 8.604 -4.283 1.219 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 3.826 -8.975 -30.193 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 11.404 -5.400 10.209 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 -3.782 5.820 5.312 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -0.732 -8.617 -3.797 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 -3.418 -0.154 -0.863 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 4.515 1.465 3.880 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 -19.853 -5.559 -13.588 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 0.151 13.913 -3.728 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 6.547 -4.620 -0.555 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 10.638 1.624 4.517 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 4.209 0.167 -8.595 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 -5.334 2.224 4.629 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 15.324 -23.195 10.282 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 -26.516 -5.647 -0.787 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 3.031 -0.637 -0.189 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 -19.332 -6.541 -2.938 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 5.923 11.870 -9.046 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 3.702 8.405 -1.205 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 -13.567 10.919 -11.668 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 26.648 -0.577 10.796 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 -1.272 -4.953 -0.079 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 -6.081 4.186 10.294 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 -14.482 7.262 12.895 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 2.758 2.462 -3.238 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 18.425 -3.549 -12.527 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 0.553 14.093 15.096 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 1.822 -3.973 -4.532 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 -14.130 -9.745 -36.200 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 -7.759 -0.655 6.108 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 -2.800 3.169 -0.182 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 12.051 -3.005 -9.739 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 -18.025 11.644 6.028 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 -1.694 5.530 1.785 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 22.238 6.255 7.019 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 -2.737 10.867 -9.289 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 -1.029 1.308 -1.741 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 -13.287 -14.141 1.235 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 19.843 7.906 -3.840 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 -5.404 -4.768 -6.130 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 4.083 -13.856 -3.623 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 -21.261 5.281 -20.984 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 -2.659 -2.301 -0.137 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 5.157 3.157 6.579 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 -17.955 36.564 -12.778 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 -1.232 4.713 -5.841 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 0.032 7.624 -22.279 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 -3.015 4.780 -13.116 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 -3.135 -2.756 7.307 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 9.394 -11.867 18.417 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 5.355 -21.563 18.858 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 -0.647 -1.095 0.811 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 16.492 -11.070 20.781 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 -8.374 25.525 8.984 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 0.888 1.598 -2.401 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 -0.354 5.844 -7.626 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 6.831 -3.485 1.709 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 4.036 -1.003 0.975 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 -0.348 6.417 15.669 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 6.997 9.277 4.451 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 -1.831 1.464 -0.043 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 -10.222 4.218 3.021 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 3.268 2.216 -3.301 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 2.486 -4.570 -6.900 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 3.729 -3.992 -6.395 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 4.294 -4.891 -7.236 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 -1.284 -5.111 1.393 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 -21.497 4.288 -0.564 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 11.354 10.394 10.478 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 1.192 2.651 -4.038 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 -3.091 -19.999 43.119 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 11.030 8.045 27.416 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 1.199 3.180 0.864 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 -7.135 -3.547 -0.689 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 3.355 1.479 -0.011 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 -1.909 0.209 1.707 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 21.540 12.506 28.366 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 2.645 22.611 -25.509 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 -9.149 -1.863 1.637 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 4.760 12.510 0.793 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 -21.109 0.826 -14.932 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 0.398 10.920 -1.575 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 -0.282 5.744 11.850 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 -9.602 7.617 -17.632 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 4.447 -8.577 -2.111 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 -11.152 -20.029 10.648 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 -4.420 7.929 -15.157 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 1.664 -1.335 -0.239 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 -5.266 2.444 -5.107 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 -3.396 -6.117 6.555 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 -1.677 2.162 1.737 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 5.644 9.396 12.807 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 -11.831 -4.567 5.614 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 -3.768 -9.246 7.157 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 -16.949 -1.696 9.913 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 5.838 -0.176 -2.105 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 2.147 6.027 0.658 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 -22.140 9.604 4.242 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 -13.821 20.384 5.528 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 0.761 -2.847 1.055 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 2.633 -5.184 -3.223 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 -4.533 1.564 6.864 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 2.371 -4.924 -2.956 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 -0.829 22.206 18.970 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 -11.816 -20.122 -1.342 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 3.247 3.706 1.019 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 -17.153 -13.864 -4.214 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 2.728 -2.554 -17.934 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 4.644 -0.402 -2.833 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 2.594 0.308 -10.296 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 8.470 -7.471 -2.773 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 -9.757 1.483 -8.430 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 15.736 -19.132 1.832 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 -17.837 9.920 -11.982 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 -2.009 1.257 -0.750 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 -1.924 1.023 -0.605 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 -2.755 -10.664 7.717 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 -3.779 3.498 -5.890 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 -17.087 32.794 -3.430 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 -10.503 17.685 -8.476 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 -3.654 7.708 -2.046 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 -9.714 -8.263 -12.040 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 25.356 1.474 -5.965 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 2.301 4.356 0.335 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 4.621 2.578 -11.097 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 -1.223 8.000 22.710 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 0.622 5.260 -2.243 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 3.328 -8.355 10.598 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 11.035 21.427 -6.151 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 -1.137 -1.487 2.111 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 -1.925 1.058 -3.683 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 -7.357 -7.657 -1.074 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 0.929 -9.797 -1.978 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 -3.193 -0.274 19.973 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 13.889 -21.617 9.125 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 3.558 -3.264 3.694 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 -18.867 -0.082 6.465 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 11.231 10.167 10.479 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 -0.210 -3.562 -2.407 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 -6.783 7.833 16.318 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 15.754 1.327 0.783 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 3.419 4.722 -0.523 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 17.447 20.492 -16.446 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 1.070 8.540 -2.955 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 -3.373 2.243 -5.280 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 20.949 4.750 -29.003 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 -13.692 -30.287 -5.594 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 -0.551 1.416 3.528 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 -1.066 -2.314 2.392 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 4.787 3.217 8.530 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 4.474 -0.138 -1.061 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 -4.762 -11.327 4.140 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 4.747 15.213 -5.291 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 6.086 -2.552 -9.041 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 11.026 0.087 -2.677 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 9.258 7.333 -11.480 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 0.162 3.227 -4.334 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 13.578 20.007 13.116 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 -18.990 -6.595 -15.552 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 -2.715 2.865 4.553 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 -6.369 -8.636 17.686 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 -8.379 -9.798 -2.093 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 4.783 2.523 2.124 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 8.466 -12.483 11.783 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 14.481 14.535 -3.772 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 -2.563 1.592 -0.134 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 6.207 -3.205 -16.869 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 -13.832 -1.362 -13.307 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 -3.171 -5.921 1.562 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 -2.234 -7.070 5.828 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 -17.600 3.208 5.075 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 -2.245 -4.316 0.659 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 17.264 8.362 7.887 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 -9.225 29.688 13.952 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 2.772 -2.639 -3.916 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 5.615 10.798 7.321 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 14.151 -25.136 1.354 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 -3.632 6.077 4.817 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 2.372 0.074 8.129 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 -2.402 16.122 4.883 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 -0.990 -1.075 0.717 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 2.052 -1.556 -19.383 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 1.763 -3.770 -13.308 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 -4.341 -0.233 3.704 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 15.210 -4.477 6.972 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 -4.115 -13.556 -10.103 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 4.201 1.933 -0.304 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 24.845 3.073 -23.693 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 13.130 -11.085 9.168 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 2.671 -3.008 -0.769 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 -9.703 7.909 7.111 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 3.747 -3.673 -0.706 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 4.406 5.211 -3.927 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 18.298 26.294 15.974 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 -20.725 12.168 -0.761 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 1.400 0.965 1.079 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 3.735 -4.449 -1.852 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 -13.863 -0.481 4.154 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 -5.966 5.982 -4.095 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 -4.459 11.490 1.213 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 -3.840 -21.514 4.850 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 3.167 7.330 -4.008 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 -2.843 1.534 -16.055 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 -12.328 20.872 15.828 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 -1.233 3.648 -2.348 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 -0.189 13.927 -9.030 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 -1.376 2.885 -2.197 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 4.876 1.708 0.635 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 -7.576 -32.984 -17.236 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 6.520 -2.074 -0.323 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 -4.127 2.133 3.149 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 3.982 3.128 9.264 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 -7.104 -8.526 0.545 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 -5.378 0.882 4.788 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 -7.233 3.917 9.939 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 -18.224 16.705 15.054 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 -2.160 4.271 2.700 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 10.199 7.940 -15.189 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 -1.153 -9.726 -16.596 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 -2.041 4.133 7.929 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 -5.682 5.513 5.003 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 1.416 -2.034 -5.242 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 4.187 -3.618 3.114 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 4.788 -0.698 2.165 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 4.116 -13.554 12.224 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 -3.115 1.347 -1.834 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 -8.159 -3.937 -2.312 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 2.925 -0.481 5.472 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 0.995 -3.778 1.952 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 -4.265 2.994 -10.686 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 6.537 -12.364 16.670 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 1.198 4.633 1.892 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 -23.108 7.302 -12.858 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 34.033 -9.303 0.649 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 -11.258 -1.350 2.412 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 8.631 15.347 -6.049 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 -19.329 -9.258 36.391 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 -5.529 -0.111 2.032 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 -0.288 -2.149 -0.793 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 -8.054 -9.632 9.123 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 -5.276 -1.057 -4.210 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 -2.728 0.047 -3.815 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 -6.177 -0.403 -1.877 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 -3.837 7.034 1.655 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 3.025 2.568 -0.344 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 6.385 1.387 -2.060 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 -3.171 -1.605 -3.490 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 17.497 0.578 -9.505 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 3.004 3.313 8.268 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 -6.458 4.286 -4.571 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 -11.243 -5.318 -28.859 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 2.387 17.917 -0.297 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 10.317 2.048 1.185 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 1.801 -4.767 -4.731 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 4.262 -2.279 1.370 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 1.481 5.941 -3.177 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 4.155 1.909 -15.465 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 -10.284 -20.747 3.233 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 -8.068 1.814 3.105 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 -5.150 13.119 11.574 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 -9.342 2.307 -7.376 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 -0.434 2.403 -0.224 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 -17.157 -8.475 6.478 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -5.716 8.557 -16.388 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 1.809 0.061 2.080 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 0.637 11.154 2.132 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 -4.752 2.849 13.903 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 3.141 -3.132 1.605 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 -5.215 -10.717 32.398 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 -13.333 6.554 1.111 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 2.065 0.440 -2.762 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 -5.739 23.313 -12.367 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 -0.978 27.514 -2.953 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 -3.507 12.201 -0.941 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 -9.692 2.970 19.704 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 -12.263 21.697 -26.119 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 -0.067 -1.175 -4.204 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 -2.649 8.012 -20.090 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 -11.667 4.505 -5.353 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 2.586 -1.113 1.765 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 -3.010 -9.844 3.336 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 1.631 -3.308 2.162 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 1.257 -3.051 -1.508 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 -4.828 -11.914 -15.871 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 0.545 -6.980 -20.010 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 -4.516 0.388 0.886 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 -15.269 -9.987 -31.801 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 -17.522 -4.745 -8.556 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 2.082 -4.221 -3.005 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 -0.220 8.088 -3.459 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 -8.046 2.596 -20.617 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 10.373 0.574 3.602 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 -1.362 -6.614 20.904 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 -8.395 -7.743 22.824 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 6.176 -1.821 0.398 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 13.887 13.874 -19.122 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 14.748 -12.933 16.143 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 -1.218 4.161 0.826 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 -4.259 6.501 1.375 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 -12.531 -4.174 14.981 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 -0.879 0.362 0.295 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 -1.249 6.804 2.757 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 -0.949 -10.219 1.067 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 6.142 -9.584 -3.302 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 0.604 -0.982 -12.223 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 7.650 -12.087 -0.255 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 1.009 4.064 0.563 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 -13.657 10.830 6.637 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 -3.155 7.622 1.817 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 1.609 3.874 -4.019 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 6.772 2.031 3.855 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 -3.391 5.890 7.836 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 -1.347 5.048 4.245 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 4.295 -20.649 -1.388 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 7.588 -14.394 -2.065 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 -0.286 3.010 5.318 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 -7.398 -18.883 0.374 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 -19.924 -2.991 48.539 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 3.674 3.858 -0.570 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 2.556 -1.188 -1.825 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 1.401 2.882 10.728 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 3.580 -2.754 -2.490 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 17.956 -10.592 1.317 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 -5.472 -10.031 14.949 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 6.714 4.010 5.678 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 9.699 -7.754 -7.547 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 14.800 -6.984 6.706 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 -3.347 0.831 -0.356 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 -3.728 -4.424 -16.452 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 7.180 -0.803 -38.754 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 -2.280 -3.231 -1.857 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 1.218 2.977 9.228 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 4.518 21.941 -5.010 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 3.695 3.241 -3.625 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 5.292 15.982 11.588 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 22.869 12.342 -6.015 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 2.419 1.942 -7.067 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 0.326 -10.691 -7.034 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 13.535 4.480 -19.532 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 -5.047 2.590 -2.758 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 -7.420 0.595 -10.713 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 4.176 -0.635 -1.455 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 2.477 2.502 4.574 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 -5.562 -14.565 21.308 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 10.711 2.540 -10.804 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 3.127 1.523 0.837 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 -4.842 -29.808 9.420 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 3.098 -31.124 1.696 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 2.779 2.078 1.989 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 11.478 -5.218 -7.003 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 9.373 -2.490 -3.169 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 -0.764 5.460 -6.548 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 -16.403 -0.444 -0.378 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 -10.191 15.126 -0.032 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 4.555 -0.946 7.323 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 8.819 -34.748 -8.397 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 -4.973 18.962 -2.321 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 -2.059 0.968 -7.071 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 10.924 -19.859 44.938 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 5.419 20.381 -19.025 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 -1.272 -2.224 -2.478 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 6.604 3.696 12.765 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 -0.730 -6.129 -6.537 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 5.936 -1.699 1.397 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 -20.050 10.164 6.855 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 -3.929 -15.013 0.540 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 -3.270 -2.681 1.857 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 -7.390 -0.837 -0.685 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 -19.815 6.501 2.034 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 -0.993 -1.472 1.184 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 -10.339 -8.583 17.581 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 18.449 -1.664 6.327 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 7.843 -1.503 -0.494 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 1.918 -24.315 5.641 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 1.144 9.318 -2.467 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 -3.810 -4.168 -6.733 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 19.397 -13.578 -17.602 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 -2.988 -9.465 -0.264 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 -7.827 -5.385 3.040 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 3.531 7.145 7.962 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 7.159 -10.125 -14.217 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 0.083 -1.543 2.911 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 -11.783 -6.875 4.533 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 -5.848 -3.135 3.548 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 1.835 5.061 1.746 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 5.244 15.573 7.244 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 6.034 18.492 -5.198 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 -3.578 0.631 -1.449 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 -23.539 -6.833 -18.913 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 -18.257 -8.297 -12.206 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 -5.024 -0.841 -1.801 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 8.069 -19.476 46.565 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 -6.163 33.940 -24.167 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 -5.176 -0.598 -4.082 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 7.734 -15.779 -4.901 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 -14.183 0.089 -21.708 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 2.817 -5.855 -9.163 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 -7.437 7.401 -21.322 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 -12.037 -17.624 -0.507 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 1.243 -0.619 2.013 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 -5.313 -21.483 -16.057 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 9.314 -2.714 -4.834 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 -3.482 -0.547 1.719 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 -5.332 -22.784 9.986 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 16.975 5.846 9.091 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 -7.271 -4.424 -3.063 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 -26.058 13.643 8.445 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 9.162 -24.765 -17.204 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 -6.210 1.559 -1.817 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 3.716 -6.239 19.666 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 -10.390 -16.747 -15.366 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 -10.342 3.014 5.538 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 -22.318 22.855 20.746 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 16.372 13.120 12.269 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 1.505 -1.501 1.094 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 4.509 -2.474 -6.722 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 -12.297 25.661 25.037 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 0.073 2.212 -1.786 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 -1.839 5.895 -7.240 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 -2.798 -2.991 0.500 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 -9.131 -9.823 1.008 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 -14.877 -11.266 -1.283 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 2.727 -2.649 5.193 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 1.730 2.870 -5.198 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 0.709 11.013 -0.052 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 0.538 10.181 0.809 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 -1.367 -3.579 -2.591 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 -1.819 -4.948 -0.361 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 0.660 -4.303 -3.276 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 0.614 -2.549 -1.702 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 1.497 3.778 9.533 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 -5.549 -14.807 7.533 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 -0.407 -4.942 1.858 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 3.757 -7.738 1.316 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 1.228 3.813 -5.501 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 -0.502 2.079 8.657 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 -15.070 5.474 -5.850 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 3.082 -14.696 3.626 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 -8.257 0.967 -3.752 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 -22.420 2.582 15.036 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 -9.949 6.992 -9.444 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 -1.764 0.768 2.433 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 1.098 -1.273 3.309 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 4.496 8.633 17.297 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 6.957 1.420 1.111 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 0.205 7.738 1.040 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 22.623 7.321 -7.850 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 -2.925 2.536 -3.571 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 -8.805 -1.630 1.047 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 1.209 -3.273 7.797 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 -3.837 7.956 -6.053 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 11.175 2.347 -28.856 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 13.207 11.442 -1.921 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 2.512 -1.589 0.869 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 12.343 0.303 -0.733 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 0.285 7.091 8.345 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 -2.499 -2.170 -1.762 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 6.116 10.521 -18.624 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 3.090 -19.744 0.684 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 7.457 2.160 9.533 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 0.227 7.148 9.996 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 11.741 12.699 6.609 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 1.418 6.505 -3.401 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 0.506 -8.576 -8.323 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 1.565 -9.400 -8.699 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 4.978 0.368 0.502 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 -4.587 2.571 5.625 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 9.221 7.793 -6.777 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 -3.679 13.103 -0.726 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 -8.323 7.181 -0.994 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 6.894 16.615 -5.083 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 4.238 -3.999 -2.595 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 10.333 -12.306 6.106 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 -8.012 0.040 7.734 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 1.326 -1.114 2.469 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 -9.902 0.026 1.253 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 10.562 20.414 -4.108 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 2.368 -4.901 6.004 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 6.532 -4.205 0.386 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 -2.775 1.017 5.585 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 -3.468 0.146 -4.594 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 0.760 20.875 -9.809 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 11.585 22.003 6.985 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 -4.980 4.887 4.350 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 20.486 -0.639 -18.175 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 7.003 20.951 21.504 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 1.502 -1.229 -6.097 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 -7.113 -3.944 -2.351 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 12.342 0.351 3.764 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 -0.535 1.212 -3.751 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 10.628 -11.280 -15.416 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 11.678 6.761 -1.842 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 -2.000 -4.851 3.454 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 7.196 1.033 9.382 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 6.721 -8.084 1.735 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -0.839 2.829 -1.047 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 -11.337 -14.298 -12.629 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 5.410 -3.859 -0.678 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 0.776 3.558 3.038 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 -8.895 7.033 14.793 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 6.966 -10.556 0.523 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 -4.241 -1.113 0.318 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 2.445 -5.415 -18.684 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 3.452 6.641 -2.825 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 -3.545 -0.569 3.606 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 -12.857 9.100 -0.806 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 29.693 7.476 4.014 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 0.373 -0.966 1.998 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 14.800 12.047 3.601 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 -6.398 -7.671 0.729 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 -1.928 6.365 1.643 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 4.863 -4.689 -29.603 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 19.690 29.359 -3.475 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 -0.328 2.675 -1.840 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 8.053 13.143 9.048 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 0.709 12.286 -11.175 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 -4.568 -2.627 -1.193 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 14.861 4.375 2.585 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 -14.763 6.488 7.509 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 -5.730 1.943 2.007 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 -4.765 -1.487 2.072 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 10.784 13.423 11.116 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 -8.650 5.468 7.547 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 -3.531 21.139 10.625 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 -17.581 18.394 17.930 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 -2.540 3.782 -1.573 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 -4.652 2.924 16.477 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 5.993 -0.852 -4.519 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 2.360 -2.202 6.699 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 -6.987 26.028 -18.331 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 -33.011 -14.551 21.092 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 -2.566 -4.929 4.063 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 -7.153 -8.273 3.106 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -9.713 0.034 -2.028 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 -2.481 -5.567 -7.025 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 1.552 -1.337 -1.280 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 1.972 -2.008 12.793 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 -3.860 0.626 1.043 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 12.264 12.600 7.985 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 -14.310 7.855 -11.498 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 2.842 0.847 -7.279 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 8.161 -4.709 -8.856 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 -12.389 -2.428 -10.840 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 0.440 3.022 -3.014 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 -10.981 -15.169 -16.246 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 -0.994 -1.742 -7.465 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 -0.422 -1.299 -6.259 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 1.516 -9.662 -10.759 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -14.922 12.871 0.011 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 -1.184 -2.970 -6.796 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 6.959 8.136 0.643 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 5.400 -26.364 -1.812 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 -4.469 1.045 -0.024 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 -1.108 3.823 -8.717 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 -8.722 -4.085 -1.213 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 -2.059 -2.194 2.299 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 -3.322 -0.771 -0.900 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 -3.693 -2.875 -0.214 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 -4.630 5.713 -4.956 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 -5.416 6.586 0.722 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 -0.021 1.777 -13.820 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 0.831 3.922 0.171 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 1.547 30.472 -15.285 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 -1.038 -9.319 -24.468 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 6.769 -2.847 -0.747 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 26.798 -0.965 15.644 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 -2.711 -6.605 -3.521 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 2.206 -3.460 -3.899 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 1.246 -5.678 4.007 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 2.934 3.043 5.876 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 2.998 0.645 -1.318 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 -4.670 -3.172 -17.034 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 13.485 8.788 -3.123 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 -0.047 1.294 6.748 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 19.366 -28.359 -8.334 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 -27.908 9.281 -19.449 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 6.247 -5.315 -1.413 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 -3.687 -21.570 8.698 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 -9.771 4.027 -20.259 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 2.343 3.624 -3.534 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 -23.080 4.944 24.943 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 -2.248 -21.075 24.378 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 -1.819 -7.387 0.100 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 -1.298 -31.622 -3.778 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 4.792 2.922 8.341 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 4.248 4.670 -0.490 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 4.213 -4.653 -5.527 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 1.635 7.365 -5.379 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 4.273 -1.721 -6.096 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 4.077 3.232 -5.846 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 4.062 4.511 -5.693 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 3.427 -1.512 7.176 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 2.477 10.494 6.393 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 8.377 1.732 10.044 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 2.057 0.436 0.604 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 4.114 -25.168 9.843 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 -5.855 25.651 9.327 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 -1.868 -2.680 -2.894 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 -33.857 -8.784 -6.410 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 3.152 3.439 5.495 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 0.527 4.262 9.635 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 3.581 8.561 4.813 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 9.787 -11.112 10.208 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 0.535 5.157 -2.748 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 -14.691 -26.830 -14.169 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 2.105 -4.979 0.484 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 2.592 0.897 4.003 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 5.188 -3.634 1.735 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 13.259 -13.365 3.528 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 -0.549 -5.225 6.391 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 6.337 8.803 2.392 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 13.196 -5.580 1.627 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 4.192 -2.224 1.006 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 2.542 -2.473 8.166 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 6.227 0.939 -0.821 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 3.162 -1.061 -1.077 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 7.038 -4.134 -0.076 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 9.746 3.020 -24.244 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 -3.775 -6.443 7.563 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 -18.156 -22.324 0.122 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 -14.496 6.610 11.112 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 -4.538 2.183 0.491 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 -10.219 -23.409 -0.966 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 10.408 8.492 8.119 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 -3.631 2.276 -0.553 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 -8.524 -5.868 -1.203 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 0.652 3.317 10.922 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 7.694 -1.466 -0.008 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 3.179 -11.011 11.148 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 15.249 10.729 -17.203 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 -4.463 -1.771 -0.979 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 3.488 1.076 -15.836 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 26.863 2.494 -7.833 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 -3.684 7.299 -3.551 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 -10.051 -19.406 -20.280 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 8.037 -0.264 9.849 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 -4.829 5.831 -6.537 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 7.231 -17.293 -8.740 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 5.091 -14.342 -10.639 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 1.642 -0.707 2.071 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 -22.018 -26.860 -5.923 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 0.627 -20.382 28.662 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 1.796 -6.060 -7.589 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 -21.801 -4.332 9.979 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 -19.373 -25.666 -7.264 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 2.742 -3.416 0.811 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 0.951 -0.386 -1.256 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 21.597 11.590 1.917 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 -1.589 4.614 -5.045 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 4.240 3.860 2.887 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 -15.219 0.807 13.373 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 -7.688 0.110 -1.030 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 18.485 -24.245 -4.792 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 8.724 -8.172 15.073 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 0.200 -5.983 -0.076 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 2.575 -3.214 -8.518 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 -3.531 -2.431 12.813 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 6.140 -1.862 -4.705 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 15.029 7.921 13.151 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 10.097 12.264 -8.799 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 -1.959 3.987 2.929 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 22.773 2.699 -7.626 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 -2.197 12.098 1.118 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 -2.347 -7.130 -2.789 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 17.292 -8.328 -12.290 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 -12.778 -23.504 -11.754 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 -3.439 0.104 6.340 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 -3.573 -7.109 3.378 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 0.648 -4.751 6.769 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 4.195 1.586 -0.828 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 15.508 24.718 -5.196 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 -7.658 -1.847 -3.787 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 4.736 2.753 -6.644 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 14.211 0.019 -18.512 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 7.325 -3.761 -18.475 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 -2.245 4.160 -0.898 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 -9.145 32.395 11.349 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 -14.854 -2.504 8.313 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 -5.647 2.370 6.511 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 -21.722 -17.942 -2.712 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 -3.500 3.609 8.951 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 -3.707 1.806 2.847 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 0.026 -11.221 -15.886 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 -0.463 -14.636 -27.536 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 1.526 0.808 1.036 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 10.493 -4.478 2.595 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 10.982 -13.158 2.123 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 -5.161 10.833 5.007 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 3.262 -20.545 -5.922 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 0.899 -10.844 3.384 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 -2.325 -1.311 5.292 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 -23.335 16.062 17.820 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 6.668 -14.557 10.346 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 1.002 -0.467 1.406 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 16.095 -15.447 2.015 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 8.432 4.404 13.694 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 -3.686 -1.138 5.161 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 23.973 14.908 -0.344 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 -28.575 16.831 4.693 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -2.623 0.312 4.914 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 1.417 -3.779 14.508 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 -12.568 8.697 13.224 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 4.705 -1.984 -1.511 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 3.187 5.766 9.640 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 -21.943 -6.672 9.182 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 -0.611 1.354 -4.178 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 -6.199 0.665 4.167 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 2.501 -7.096 -12.281 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 5.324 8.450 5.925 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 9.742 2.520 7.611 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 4.444 6.528 5.308 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 -4.191 6.888 -5.346 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 -2.083 -10.572 -11.453 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 -20.844 6.411 3.301 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 0.868 2.155 2.828 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 -4.583 -4.869 -2.613 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 8.603 6.607 7.135 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 -8.123 0.550 10.402 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 -16.118 29.384 9.330 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 -6.414 4.493 6.914 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 -4.433 -1.815 -0.935 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 -3.785 -6.581 13.525 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 25.650 -29.700 9.048 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 2.081 0.860 1.770 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 -7.086 20.308 0.490 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 2.768 -8.153 3.840 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 -3.719 0.515 -5.500 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 -18.643 -1.516 -15.279 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 3.797 -3.132 -4.245 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -4.759 3.154 0.188 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 -6.596 15.025 -12.634 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 -17.795 10.050 -36.629 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 -0.250 1.742 5.617 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 8.374 7.160 16.556 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 -9.087 5.522 14.661 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 -0.511 -0.481 3.397 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 2.479 -0.207 -9.999 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 -12.285 5.347 -11.445 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 -4.090 4.677 -8.010 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 -11.966 2.436 4.889 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 -1.360 -10.080 -12.602 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 1.013 4.086 -3.243 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 6.743 1.382 -0.599 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 9.643 -0.802 1.922 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 -3.872 -0.936 -5.196 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 -4.892 -10.941 0.415 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 -5.957 -0.085 -7.259 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 -5.697 -3.101 -1.441 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 -9.433 -3.395 -3.960 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 8.695 -13.381 2.605 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 -0.998 8.547 0.147 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 -7.458 7.439 -6.307 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 -0.539 4.812 0.277 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 -4.328 -2.766 2.728 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 -3.614 -1.596 -0.916 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 -6.020 -7.331 2.047 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 1.572 -0.556 -10.105 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 -6.659 -2.458 0.160 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 -4.406 -3.916 -9.167 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 0.495 9.975 2.734 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 -16.623 -31.662 -9.614 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 -5.609 16.805 1.218 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 1.463 0.885 -0.393 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 -0.823 -5.501 -17.889 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 8.373 2.901 2.353 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 -2.480 3.729 -2.130 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 -2.678 -11.578 5.085 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 4.246 10.253 14.672 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 3.489 -2.360 -2.165 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 12.930 2.209 4.514 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 -12.933 -5.543 -3.822 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 -3.300 3.776 4.906 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 10.160 5.459 -18.093 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 -9.208 -15.665 4.006 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 0.918 8.789 2.184 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 -4.648 0.446 15.279 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 7.083 -20.470 3.795 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 -3.647 5.466 -5.944 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 -16.003 -20.613 -12.923 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 10.211 1.257 18.663 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 -0.866 2.326 1.435 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 -3.571 -0.867 2.931 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 -7.787 0.052 -2.292 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 1.323 -9.359 -1.699 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 -19.263 -14.237 -9.988 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 21.263 2.799 -2.875 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 7.112 6.159 -0.766 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 -15.321 -2.118 -7.817 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 -5.247 -3.014 5.746 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 -6.957 7.253 2.327 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 -5.893 10.505 8.738 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 -8.512 -2.153 -17.969 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 -1.594 0.716 2.336 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 -1.233 7.287 15.347 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 -6.122 -5.191 -4.098 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 -0.445 5.352 -6.477 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 7.874 -5.305 -12.326 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 3.723 12.759 6.522 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 -0.806 -3.487 -0.991 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 -2.481 -13.880 1.494 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 3.596 -0.116 8.387 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 -3.203 -0.924 0.852 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 8.491 -4.085 16.022 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 5.269 -5.346 -7.330 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 2.951 0.870 3.331 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 1.916 1.403 0.092 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 -23.921 21.215 -16.564 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -1.681 1.448 -2.932 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 -6.894 -1.714 -14.280 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 0.610 -8.061 -31.920 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 0.914 -2.458 0.274 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 4.473 -12.133 27.994 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 18.693 17.459 16.406 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 6.873 -5.500 -4.209 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 20.422 11.700 -7.247 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 -4.010 -2.945 -0.520 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 2.240 -3.298 2.074 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 -9.060 -2.865 8.585 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 -2.520 -7.131 -8.138 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 -4.902 4.409 -2.062 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 -6.508 13.139 -3.357 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 -6.349 1.104 -12.067 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 -0.150 6.584 0.654 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 1.705 -0.043 -18.214 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 -0.657 2.899 -2.219 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 -1.762 -4.693 -0.489 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 6.281 -2.482 -18.303 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 -0.816 -1.739 8.780 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 2.710 5.596 -1.432 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 22.757 4.197 1.483 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 15.521 23.440 -16.525 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 -5.468 -0.534 -4.821 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 15.000 5.750 -0.835 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 12.805 2.980 -6.139 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 -3.124 -1.505 5.498 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 -11.694 3.175 -0.723 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 19.246 -0.663 0.117 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 -2.868 0.011 -4.976 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 -3.955 -8.771 -0.716 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 -24.256 -5.448 3.855 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 2.156 -6.186 -3.338 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 6.882 -14.647 -13.731 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 10.467 -16.399 5.330 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 1.845 1.007 7.880 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 14.251 -4.654 -15.849 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 9.265 4.817 11.088 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 5.801 2.261 -3.305 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 6.781 -11.743 7.318 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 21.824 -2.029 2.731 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 -3.024 -0.542 5.743 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 1.703 -9.283 -15.276 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 1.482 -21.644 -9.263 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 -3.368 1.449 0.398 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 -0.542 10.918 -15.170 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 -19.610 5.393 38.741 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 -4.400 5.300 -4.030 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 0.418 0.332 -10.175 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 -24.158 7.047 1.681 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 0.867 -3.416 -1.998 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 -3.836 -3.003 -8.717 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 -0.440 -12.638 9.068 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 -0.609 7.013 1.193 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 26.140 11.191 -7.861 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 -19.249 8.739 6.949 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 2.202 -3.766 -1.119 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 -9.699 -5.479 13.383 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 4.849 3.019 -4.533 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 0.702 -2.085 -4.412 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 7.921 -5.036 -15.211 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 -19.850 -11.255 -1.284 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 0.886 1.169 4.701 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 -12.852 5.433 -3.026 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 -1.627 19.650 -5.783 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 4.673 3.105 -0.166 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 2.132 0.225 -3.182 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 10.121 -1.065 1.325 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 3.029 -0.278 0.524 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 -9.508 7.316 6.062 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 15.149 -7.301 1.186 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 2.923 -1.840 -4.203 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 -8.927 -7.260 -7.118 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 25.534 -22.163 -20.960 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 0.693 1.992 -4.066 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 4.013 -1.712 12.315 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 7.984 11.824 0.433 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 -5.870 0.620 -2.515 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 -12.633 -10.444 7.516 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 -3.078 -5.531 -12.965 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 4.940 0.257 -1.807 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 -2.820 2.457 -25.877 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 13.121 -4.862 6.892 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 -9.208 -4.878 -0.163 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 -3.770 11.976 23.415 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 -9.523 -30.084 0.716 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 2.680 -3.123 -6.554 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 9.899 -8.964 -18.271 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 11.294 -2.965 5.389 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 0.497 1.928 -1.998 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 -8.147 -13.889 10.329 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 13.013 18.969 -15.660 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 0.937 0.595 4.790 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 8.141 9.226 28.138 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 -1.583 -9.424 8.248 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 -1.485 -5.061 -3.277 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 2.295 -7.093 1.486 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 -5.389 -1.701 -9.292 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 1.577 -1.050 -1.062 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 -3.529 12.157 11.608 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 26.140 -0.940 -12.578 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 -5.571 -6.219 -0.172 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 -6.005 -9.769 -5.070 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 -9.283 -1.040 -6.600 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 -1.394 -3.368 2.421 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 10.458 4.130 4.729 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 -4.507 -8.623 4.750 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 0.481 5.836 -3.930 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 -5.468 15.486 -10.086 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 -2.199 -14.161 3.134 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 1.835 -2.873 11.475 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 5.002 -19.843 11.213 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 0.734 0.100 -1.029 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 -1.934 0.061 -1.378 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 -7.590 3.635 17.570 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 -12.488 11.091 -9.499 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 4.349 0.490 -2.918 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 7.110 -8.423 -1.602 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 1.261 -1.213 -6.862 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 2.855 -5.707 2.977 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 11.050 11.574 -10.946 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 8.713 -17.948 -6.414 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 -1.233 0.959 -0.643 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 -0.910 11.178 -6.004 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 8.917 -4.423 -5.767 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 2.376 0.331 -1.890 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 1.024 -5.529 -1.482 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 13.396 -8.896 -4.603 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 0.946 -2.477 1.527 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 21.391 1.545 -9.729 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 -18.915 16.162 11.505 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 3.043 -2.050 -0.060 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 5.899 0.751 20.162 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 2.160 7.087 -4.555 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 1.685 2.314 4.265 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 3.026 8.879 15.813 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 -0.627 -7.754 9.509 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 6.450 4.150 -13.944 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 -11.265 -27.378 -23.547 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 -8.526 24.459 6.216 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 -6.199 -0.385 2.552 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 -16.594 -4.243 8.806 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 3.747 -1.062 10.960 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 -10.082 3.038 -4.584 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 -12.074 14.489 2.061 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 -12.714 7.830 0.164 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 -0.407 -2.504 -2.856 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 -15.808 -10.524 -5.451 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 -18.209 20.272 -11.289 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 -5.891 0.134 -2.336 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 0.157 -6.141 6.090 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 -6.237 -10.778 -20.068 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 -0.781 0.528 -0.041 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 -13.950 11.525 -23.812 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 1.591 7.405 -6.066 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 -5.548 4.811 -4.218 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 5.786 -17.961 -0.405 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 -10.365 9.724 -3.580 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 4.626 7.006 0.741 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 -6.768 -9.133 -10.237 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 7.890 18.738 -10.553 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 3.374 0.714 -0.809 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 12.146 -7.091 0.247 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 -20.168 0.437 -11.029 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 -0.150 -2.059 -0.989 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 -23.646 -18.721 4.132 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 5.060 -12.266 -12.872 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 5.195 1.889 3.478 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 4.594 -5.119 -10.377 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 -14.186 -38.941 31.466 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 -8.551 -1.269 4.701 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 25.962 22.085 35.337 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 -10.418 1.441 13.471 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 -5.514 -2.090 -0.712 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 -9.674 30.502 12.770 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 33.010 -8.663 12.884 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 -3.354 -2.353 -0.566 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 -11.266 7.903 2.767 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 -4.097 -1.169 0.120 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 -1.981 -1.953 0.838 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 9.032 5.431 4.506 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 1.855 1.608 0.200 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 3.488 3.136 2.704 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 1.014 -3.953 4.593 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 23.841 29.298 -3.026 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 0.245 2.917 -0.075 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 -9.537 5.353 14.172 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 6.151 -0.522 -13.772 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 4.150 -1.495 -5.188 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 19.792 -5.667 5.752 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 -11.051 4.839 9.997 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 1.124 -3.167 -1.036 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 5.333 -17.732 14.315 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 -4.947 4.414 13.696 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 1.396 -6.391 7.297 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 12.140 -5.119 13.290 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 15.358 -38.430 -1.901 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 5.141 2.536 -6.202 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 2.800 -2.535 -4.174 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 -5.156 2.321 -6.760 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 1.456 -3.020 -2.441 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 1.786 -2.163 -3.045 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 -1.229 -8.167 -2.949 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 -0.887 0.988 3.692 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 -1.687 8.598 3.103 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 -10.332 -4.702 -18.114 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 2.477 2.235 1.156 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 1.211 18.323 -3.158 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 7.436 -22.563 25.216 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 -1.453 1.144 3.195 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 3.779 7.653 6.412 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 -19.571 -26.787 -1.910 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 -2.259 -2.114 -4.180 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 -1.376 3.374 1.001 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 -16.647 -5.634 -20.054 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 5.532 -0.106 1.434 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 10.112 4.150 -1.620 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 12.449 16.898 -7.405 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 -6.416 -0.058 5.849 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 1.580 -19.950 -10.784 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 11.672 22.122 1.032 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 2.665 -0.251 3.211 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 -15.849 14.105 7.190 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 -11.292 15.653 -6.238 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 0.262 1.793 -4.344 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 13.322 14.455 8.253 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 0.563 10.202 -28.994 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 -3.854 2.404 0.709 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 -2.699 14.622 5.536 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 7.326 -3.349 -3.451 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 2.304 -2.683 -4.224 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 -11.972 -2.733 11.074 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 0.250 -3.158 -2.476 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 5.453 7.497 -0.448 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 19.931 10.287 -7.892 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 20.760 6.682 -14.279 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 -0.426 -4.811 1.616 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 0.886 11.420 11.433 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 -14.284 -46.511 6.716 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 -3.775 -0.418 1.165 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 -7.759 17.011 7.373 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 -0.936 1.378 12.995 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 3.997 1.247 -7.786 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 5.108 3.054 -7.395 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 -8.333 10.484 -6.709 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 2.484 -0.890 8.176 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 -9.414 -9.933 -16.975 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 -1.228 -5.012 1.374 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 -4.380 -1.333 -5.538 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 -24.956 -11.185 -16.453 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 3.738 -3.169 23.133 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 1.266 -5.326 5.442 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 4.890 -21.196 19.711 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 -14.459 9.952 12.327 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 -1.380 1.127 -6.830 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 11.400 -5.095 -9.260 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 1.064 13.834 -1.667 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 -0.749 6.081 7.326 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 7.930 8.299 -23.314 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 -4.621 -8.857 20.137 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 -11.099 -0.777 -2.748 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 4.281 -11.074 -4.879 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 -15.718 6.965 0.668 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 0.362 -3.199 1.781 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 -7.103 -0.208 8.988 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 6.958 -4.476 -7.613 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 3.044 2.780 2.430 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 -9.652 1.538 3.244 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 17.035 8.623 2.116 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 -7.277 1.381 2.019 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 -25.120 14.652 -11.732 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 -21.765 -19.178 8.411 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 0.783 -0.902 -1.623 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 17.715 -15.350 9.969 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 2.719 -6.527 3.417 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 -1.932 2.065 -2.089 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 -7.252 -3.495 21.250 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 23.855 6.774 -2.878 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 4.308 0.611 -2.090 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 -0.165 -4.842 1.194 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 0.832 5.327 -1.358 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 -3.935 -5.142 6.447 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 -23.079 1.063 -7.621 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 2.423 -28.937 0.362 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 -0.273 -0.613 1.842 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 -4.431 -1.780 -3.531 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 -0.042 7.950 -4.765 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 -2.610 -2.381 2.417 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 0.544 -3.481 4.973 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 -5.180 0.255 2.873 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 2.726 4.436 -4.919 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 -4.557 7.350 -4.143 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 1.145 -12.551 -5.747 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 -7.166 -1.299 0.132 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 3.846 4.450 -0.876 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 -9.553 -5.577 3.143 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 6.810 -0.295 -6.194 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 4.704 -1.603 -16.700 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 -1.749 21.929 -8.591 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 0.742 3.647 -0.444 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 2.101 -17.199 20.139 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 4.997 -14.675 -34.564 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 -5.268 3.346 3.097 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 -3.477 2.877 23.329 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 11.649 -2.337 -2.276 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 1.349 -5.493 -0.600 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 -9.181 1.992 4.811 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 6.922 0.421 -20.799 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 -3.968 -1.511 2.465 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 1.339 6.642 -19.401 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 -10.221 0.218 2.664 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 -1.727 -4.148 0.491 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 -6.811 -9.137 -0.094 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 -2.087 -5.297 0.401 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 -5.758 -5.770 -4.554 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 1.920 -1.870 10.344 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 -4.776 20.020 -6.251 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 7.504 1.059 0.090 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 -30.867 -8.770 -14.005 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 -13.362 0.419 -8.083 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 4.193 3.824 4.361 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 9.136 3.447 1.838 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 -27.286 9.111 9.581 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 -0.915 -5.808 2.346 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 3.466 -30.094 -1.047 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 0.717 -27.363 -0.002 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 -1.689 -0.740 -0.851 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 23.684 10.441 0.459 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 11.407 -10.376 1.697 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 -3.175 0.258 3.795 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 -11.772 -2.599 29.395 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 -7.345 -18.483 15.913 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 0.828 11.333 -4.891 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 14.338 16.947 9.353 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 12.123 2.082 -15.553 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 0.812 4.420 1.988 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 11.753 1.215 -18.966 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 4.945 16.086 -9.883 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 4.110 0.548 -4.163 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 -7.005 18.343 19.834 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 1.201 7.125 2.807 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 3.201 4.301 6.848 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 12.635 7.980 -7.075 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 -12.000 2.742 5.758 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 0.171 5.248 6.150 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 2.647 -9.040 -15.890 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 -3.391 -3.981 14.835 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 5.308 5.683 -2.093 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 -4.222 5.612 13.365 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 5.003 2.353 -3.854 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 1.832 -1.501 -3.744 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 8.380 -6.502 -0.970 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 -5.608 0.133 5.442 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 -0.385 1.123 -3.706 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 -2.745 -4.091 -37.270 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 -15.984 10.926 14.662 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 -1.803 2.764 1.054 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 -8.601 -5.018 14.688 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 7.560 10.200 -9.980 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 -3.195 -7.091 -3.374 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 -4.186 1.727 -5.160 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 -8.817 -6.315 6.070 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 -1.717 4.816 6.181 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 23.077 -13.389 22.188 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 -28.042 12.958 -13.159 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 9.348 1.348 -3.606 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 4.648 21.641 -2.519 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 29.665 -6.567 -8.473 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 2.636 9.866 0.111 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 2.408 -8.346 11.520 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 8.470 4.026 8.799 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 1.249 -1.775 6.886 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 -8.447 -6.414 11.513 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 8.560 -4.262 10.849 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 -0.521 4.820 -4.708 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 -2.490 5.153 -9.184 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 2.836 9.615 -0.588 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 -5.529 5.998 -1.554 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 4.785 8.287 1.103 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 -2.204 20.903 -0.482 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 -6.274 8.798 0.361 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 -8.545 -0.823 -1.215 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 -9.379 -11.881 -1.073 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 2.088 -1.045 -4.814 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 -14.589 -5.205 -6.937 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 6.883 -0.866 4.483 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 -3.838 -5.752 0.010 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 -13.480 5.311 -9.683 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 2.904 0.730 13.406 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 -2.631 -1.892 -0.250 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 3.615 -4.377 6.499 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 -10.236 -5.250 2.642 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 4.846 -3.056 -5.800 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 12.019 8.139 -9.290 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 0.018 -3.739 -6.974 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 0.343 -5.853 -0.877 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 0.733 -2.059 2.238 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 6.673 8.264 4.486 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 -0.355 -1.106 -3.088 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 10.470 -19.227 -3.573 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 -15.927 1.738 2.338 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 3.122 4.699 9.367 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 9.747 -30.861 -4.425 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 5.756 1.447 27.747 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 -5.583 7.491 2.198 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 -18.155 3.828 -18.438 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 9.362 11.544 -4.982 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 -0.771 -4.408 -1.168 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 -5.476 6.477 10.695 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 -16.205 -10.723 -4.956 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 1.482 1.644 -1.395 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 3.032 -13.584 -14.347 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 5.982 -8.170 -0.695 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 4.153 -1.513 0.752 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 1.068 -14.213 1.778 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 14.232 3.767 -14.182 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 -2.808 2.936 0.189 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 2.877 -5.367 0.284 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 4.401 -8.320 -3.513 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 1.526 0.647 0.184 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 1.324 -5.934 5.641 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 2.885 6.744 3.357 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 5.925 -2.337 -1.778 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 -2.877 -25.668 -12.648 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 8.206 11.820 4.618 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 0.586 -6.044 7.630 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 -0.265 -0.676 7.792 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 -0.281 -5.880 2.691 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 -4.223 2.506 0.275 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 -2.396 0.749 -2.618 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 -7.089 29.574 -27.513 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 0.741 -1.569 6.475 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 5.039 2.534 4.940 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 -8.813 -7.335 4.779 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 1.571 -3.424 -1.012 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 7.644 -23.789 -19.933 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 2.188 6.015 9.473 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 -3.015 -3.393 2.792 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 -11.472 -8.147 5.970 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 -3.126 -5.009 -6.811 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 -1.272 0.303 1.385 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 4.907 -2.910 36.203 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 3.456 -0.594 18.559 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 0.498 4.825 2.544 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 0.637 8.183 -8.712 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 0.126 19.780 3.047 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 -5.032 -0.156 -5.990 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 7.323 -5.420 -3.280 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 5.404 3.006 -0.398 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 -1.965 2.947 -5.393 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 9.334 20.423 -8.430 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 -13.013 7.720 -6.994 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 0.438 -1.656 -8.243 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 -8.029 -14.915 -25.149 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 11.766 -5.273 -5.301 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -2.186 -1.961 -0.888 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 -19.957 2.621 1.383 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 -8.263 -2.851 11.469 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 -4.051 2.879 -0.933 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 -2.985 7.266 -2.724 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 16.530 4.423 -9.141 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 -6.181 -2.993 -0.740 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 3.952 4.965 -18.354 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 -14.319 -2.113 10.918 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 2.234 3.373 5.409 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 0.972 -3.759 -0.262 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 3.838 17.815 -2.629 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 1.320 -0.435 0.491 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 -15.577 4.601 15.316 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 -5.160 11.591 2.006 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 4.120 -3.282 3.404 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 1.378 -1.278 1.099 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 -9.524 1.900 11.616 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 4.076 -1.715 -0.897 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 5.885 -18.465 6.093 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 5.298 21.953 -3.041 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 -1.473 -3.834 -1.005 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 -15.915 -11.770 -1.163 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 -3.241 5.325 11.958 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 -1.988 4.732 1.133 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 -1.841 15.129 3.754 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 1.702 18.564 3.198 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 0.579 -7.047 -0.644 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 15.311 0.853 11.666 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 -6.509 -14.271 14.352 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 -2.555 -1.389 6.098 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 -19.868 3.996 -0.375 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 15.958 8.052 -0.408 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 1.392 9.282 0.937 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 2.740 11.729 -2.214 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 0.565 18.454 -7.603 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 0.485 1.708 -0.222 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 -10.744 -2.894 -6.793 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 -7.707 10.255 8.905 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 5.383 1.760 -1.715 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 -19.320 9.373 -6.485 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 15.704 -5.707 -8.578 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 -3.528 7.921 3.951 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 -7.525 7.067 -17.288 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 -1.898 -10.586 10.504 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 4.695 -6.033 -7.392 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -15.065 -12.453 15.183 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 -18.659 1.512 33.493 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 1.981 -1.665 1.633 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 -8.989 2.081 -13.835 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 -7.415 -5.023 -29.563 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 -3.792 1.851 4.341 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 2.402 8.396 -14.491 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 -15.561 13.668 18.467 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 -0.766 -3.135 -2.853 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 -6.236 -1.402 -16.486 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 -11.058 3.855 -17.175 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 2.864 6.953 4.810 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 14.788 8.669 5.433 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 1.592 -2.747 -2.305 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 0.608 1.616 -6.576 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 1.507 -13.931 -12.516 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 9.539 10.127 14.418 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 1.166 -5.280 -0.785 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 -11.830 44.251 4.487 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 1.362 1.219 2.304 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 -5.877 1.281 -1.930 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 -13.852 -3.011 0.360 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 2.157 -19.061 2.851 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 3.197 -4.103 -2.270 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 -0.577 10.518 12.743 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 7.762 -5.654 -11.463 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 -7.722 1.725 0.238 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 8.564 8.853 0.179 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 12.213 8.984 -0.970 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 2.738 -2.501 0.136 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 9.872 -15.871 11.858 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 -15.903 21.516 7.876 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 9.113 -0.047 -1.122 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 6.889 0.718 0.795 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 6.702 5.702 -3.742 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 4.581 -5.215 1.778 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 2.196 -26.932 -13.410 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 5.021 -14.759 -3.695 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 -0.095 4.592 -0.276 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 3.461 6.949 2.997 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 0.531 11.728 -9.877 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 6.805 6.467 -4.536 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 23.039 7.358 -19.003 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 19.695 -5.383 -16.848 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 -1.484 -0.433 -3.571 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 4.341 10.560 3.769 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 -26.413 -5.028 3.500 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 2.440 -2.558 -1.851 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 -5.015 -1.074 -3.427 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 -8.231 -1.335 -4.652 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 3.994 -4.655 10.119 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 8.773 11.835 7.847 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 17.636 -12.341 2.588 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 -2.892 1.708 1.900 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 -3.767 -3.547 16.851 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 -4.588 7.797 4.504 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -4.093 3.989 2.766 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 -16.245 8.976 16.092 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 10.347 3.133 4.786 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 4.503 1.630 -2.943 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 -9.515 -29.812 -9.116 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 10.085 -16.500 2.086 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 -7.423 3.220 1.967 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 -6.898 10.838 15.718 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 4.544 -12.846 17.562 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 -2.680 3.023 1.163 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 -19.014 -15.777 7.711 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 -20.341 2.232 -17.064 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 7.440 -3.148 3.051 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 -2.306 -4.432 9.073 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 3.627 -4.077 13.220 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 -0.954 -5.308 0.682 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 5.573 1.843 6.801 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 3.091 -6.031 -9.314 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 -5.734 3.665 2.598 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 -20.340 -9.448 25.870 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 -0.534 14.951 -1.500 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 2.794 1.461 -2.698 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 10.469 20.120 8.669 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 3.154 15.122 -6.527 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 -2.663 2.978 8.658 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 13.037 -4.645 10.916 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 0.130 1.090 10.174 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 -0.392 2.890 2.072 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 -22.340 -2.057 -3.165 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 -29.119 -11.204 -11.467 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 3.057 -3.039 -2.922 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 7.980 2.823 0.662 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 -5.542 0.099 -3.637 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 1.472 -2.494 -6.712 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 -1.054 2.524 0.039 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 21.460 -8.839 -12.553 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 1.983 1.305 -0.966 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 3.390 2.059 -21.073 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 9.048 2.650 20.795 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 2.326 -1.406 3.098 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 1.393 6.989 0.494 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 -14.080 -8.964 6.362 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 -6.263 -4.654 -2.396 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 -3.345 5.599 4.418 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 -16.946 -11.959 1.682 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 -5.581 1.500 -1.291 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 -12.020 -2.939 -2.892 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 -2.740 21.985 -0.133 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 3.768 0.743 -4.591 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 15.778 -8.274 12.387 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 11.595 1.357 15.081 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 -5.985 0.894 -5.854 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 5.689 8.438 -7.619 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 -2.562 7.304 6.061 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 -1.937 -8.692 2.605 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 3.722 3.813 6.920 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 8.655 -19.556 4.389 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 2.105 -0.855 -10.071 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 2.771 25.299 -8.627 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 -10.325 -10.565 1.922 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 -0.212 -6.044 -2.936 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 -3.591 -6.124 -14.927 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 16.236 -9.318 16.854 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 -0.454 3.918 9.007 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 9.695 5.903 9.958 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 23.594 -0.568 4.043 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 -1.290 2.455 7.087 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 10.586 13.917 9.279 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 5.101 6.878 4.694 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 -3.627 7.105 2.203 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 0.683 -17.136 -8.777 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 -13.029 -27.494 7.608 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 -1.116 3.309 -0.284 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 -9.181 -1.850 -8.592 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 -3.192 -3.773 -17.158 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 5.270 -3.406 -2.899 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 13.833 10.067 -2.903 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 2.243 -6.841 -2.799 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 5.291 -1.717 2.864 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 10.387 1.932 3.063 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -8.053 -11.954 4.487 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 0.310 -1.158 1.080 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 21.488 3.373 -2.358 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 7.444 -4.855 15.567 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 2.087 -1.489 1.332 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 3.643 -4.740 0.862 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 -1.517 7.237 3.517 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 0.890 1.946 0.857 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 -3.974 12.948 -0.465 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 -1.544 -3.655 0.319 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 3.356 4.952 0.518 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 -5.401 6.908 -16.841 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 -7.231 -16.925 23.615 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 -0.135 3.065 3.338 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 4.025 6.715 -0.714 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 -7.329 -0.940 6.359 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 -2.064 -0.853 -4.153 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 11.787 -1.724 8.635 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 5.892 7.728 2.186 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 -1.854 0.789 1.198 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 3.390 -18.637 0.124 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 8.788 8.329 8.779 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 -1.612 -1.427 2.209 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 3.085 8.850 -15.582 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 -9.745 -13.787 22.829 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 4.230 -2.325 -3.739 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 2.485 7.459 0.802 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 12.107 -1.045 -9.977 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 6.066 3.113 2.168 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 2.209 -6.305 -7.590 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 -20.098 21.445 7.177 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 -1.755 -4.142 -0.609 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 -11.301 13.177 3.034 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 2.745 -15.145 9.636 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 -6.811 -0.851 -0.367 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 -25.842 12.332 -0.363 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 5.269 4.596 17.708 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 7.039 2.878 -2.645 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 8.411 1.442 6.200 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 3.563 3.344 -9.340 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 1.708 1.779 -4.205 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 14.164 7.822 -0.668 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 -7.058 -1.158 6.017 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 -0.627 -2.878 1.100 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 11.656 -0.104 4.884 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 -28.001 -24.201 4.880 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 2.074 -2.273 -0.868 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 13.064 -7.557 3.027 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 13.849 -9.402 11.943 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 -1.339 3.165 5.372 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 -12.525 24.225 5.215 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 -10.771 -10.932 -4.765 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 1.848 -4.459 2.520 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 -13.788 10.880 8.078 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 18.650 -15.182 -12.575 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 -8.991 -8.136 7.718 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 3.330 -0.701 -7.507 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 -6.636 -13.532 13.129 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 -5.159 6.580 -2.596 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 7.516 -28.583 -6.259 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 19.383 3.938 0.894 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 3.281 -3.852 3.779 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 2.565 -7.416 -5.371 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 -9.480 -6.760 14.202 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 3.401 -0.243 -6.557 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 -5.133 16.882 12.364 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 -1.864 13.132 -3.179 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 2.720 1.824 0.557 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 -13.486 3.548 -5.162 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 -3.939 -10.557 21.559 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 1.428 7.375 -7.370 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 6.024 3.144 -22.087 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 14.294 0.502 3.081 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 5.930 -1.079 -2.680 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 4.405 1.986 -0.654 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 -0.574 -4.701 10.056 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 2.839 -0.070 2.644 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 -8.234 -22.478 -13.450 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 -0.782 -25.057 -11.785 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -3.626 0.191 0.500 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 -6.917 -7.440 -0.064 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 0.310 -2.567 4.863 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 4.831 -2.484 0.403 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 -10.041 -4.726 12.748 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 6.255 -2.531 -0.618 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 0.642 -1.223 1.134 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 -3.650 -7.753 2.565 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 -9.767 -9.010 -3.570 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 -1.102 6.336 -4.034 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 2.073 -21.672 -7.541 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 5.176 -0.207 12.181 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 -2.003 4.892 -1.365 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 -1.507 -20.305 9.831 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 9.608 12.833 0.947 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 -1.630 0.776 -0.767 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 2.203 -0.610 -4.553 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 18.410 11.189 3.171 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 -4.414 -3.879 -2.645 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 -3.551 -1.931 -2.779 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 16.336 7.513 -11.264 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 0.280 -2.317 1.063 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 -0.520 -10.351 -7.076 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 0.770 -7.288 4.083 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 2.753 1.708 -2.887 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 2.516 -17.777 -11.063 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 -14.401 13.864 -10.179 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 -0.238 0.319 0.808 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 -4.061 -0.602 0.952 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 5.296 -23.800 44.378 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 6.490 5.922 -8.687 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 -14.001 -30.298 7.699 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 2.066 -3.919 -5.124 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 -3.929 1.981 -4.911 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 -10.750 16.496 -16.107 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 -9.022 -11.910 11.553 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 -0.465 -0.977 -6.900 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 3.845 6.524 -20.596 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 -7.302 10.268 -3.367 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 -4.021 3.091 1.080 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 -1.205 -13.715 -3.836 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 -4.557 7.362 0.010 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 -4.322 3.345 -0.806 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 4.883 20.624 -2.836 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 -10.819 0.673 4.818 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 1.548 -1.837 1.365 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 0.621 -2.125 -15.915 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 12.400 12.273 -4.442 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 4.675 0.102 1.514 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 16.145 0.819 -4.598 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 3.762 -0.357 13.681 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 0.150 1.918 3.332 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 9.074 -17.169 28.886 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 -5.691 -11.856 -14.579 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 -0.659 -1.185 -1.332 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 -4.494 -8.959 2.000 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 -20.093 -7.055 -3.302 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 -5.351 3.083 0.596 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 -1.848 21.534 -10.489 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 3.665 -12.198 -10.303 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 -2.527 1.097 -5.869 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 6.630 -14.057 -1.882 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 -19.671 15.481 -2.253 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 -2.958 -5.771 1.026 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 -9.787 -3.415 27.293 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 -0.214 -12.586 6.168 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 0.304 6.378 0.993 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 7.269 -0.166 11.915 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 -19.229 -22.851 -2.899 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 3.718 6.646 -1.105 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 0.096 11.783 -2.186 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 -4.980 -16.593 -1.502 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 4.711 -7.755 4.332 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 33.045 13.746 -11.250 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 -21.684 -15.898 -23.851 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 -1.182 -3.543 0.596 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 12.766 24.750 13.891 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 7.251 35.658 18.943 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 1.529 1.917 0.063 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 -18.552 -11.818 -22.593 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 10.579 1.627 15.845 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 3.764 -1.456 2.034 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 -6.704 1.406 8.399 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 -2.005 -19.350 12.173 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 -1.900 -1.988 1.496 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 -7.609 -2.955 -1.023 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 7.058 -6.667 -2.958 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 0.731 2.312 -0.546 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 12.595 30.053 -24.138 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 2.750 -16.868 -1.679 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 0.995 4.942 -0.635 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 5.217 16.521 -8.240 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 2.160 8.880 11.119 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 -0.224 -3.588 -3.683 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 -4.758 12.501 -17.661 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 -11.778 20.632 15.606 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 -2.008 4.527 -6.515 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 8.713 19.574 -18.500 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 -6.318 -9.479 10.666 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 -6.243 0.710 2.443 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 0.839 30.025 1.628 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 -10.601 21.978 3.127 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 -0.967 3.951 -3.845 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 1.356 2.117 2.715 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 3.071 -2.703 0.939 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -3.658 -7.689 -6.612 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 20.518 9.617 0.612 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 5.152 -20.332 -10.954 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 1.858 -3.303 3.864 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 11.334 8.221 16.938 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 15.888 -2.276 -9.152 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 -2.544 -1.235 1.877 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 4.604 -12.988 0.841 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 -9.458 8.119 0.780 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 0.132 0.809 3.382 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 9.246 -23.903 10.737 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 5.807 -5.638 23.718 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 6.882 -0.906 1.680 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 -11.245 4.337 4.852 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 -0.019 0.343 -2.426 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 -11.051 -1.723 -0.749 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 1.505 6.832 -5.886 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 -20.113 5.743 -13.907 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 -0.859 -8.206 2.308 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 5.268 -5.844 3.337 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 30.259 2.243 5.129 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 0.386 0.523 -3.957 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 11.947 3.877 -3.695 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 0.006 2.256 -12.281 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 0.044 -6.646 0.037 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 -6.836 2.956 4.409 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 -12.379 9.488 8.603 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 5.893 0.888 -1.883 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 27.129 -9.957 30.424 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 -11.571 7.725 6.013 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 2.299 3.420 2.563 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 -0.714 4.856 2.494 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 5.990 5.656 2.925 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 -0.263 1.170 0.009 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 -11.385 13.705 -6.239 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 7.191 19.046 3.122 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 4.589 -10.444 -3.989 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 3.240 17.878 2.013 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 13.545 -17.516 0.942 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 -2.234 5.536 -4.394 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -3.820 1.397 4.500 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 -7.444 -12.706 -8.949 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 -1.697 2.058 3.705 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 -5.555 -31.556 23.242 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 -9.857 18.892 -9.183 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 3.825 0.572 1.848 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 -10.333 -15.476 34.918 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 5.890 11.306 -9.012 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 -5.493 -2.760 -0.002 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 -12.502 14.393 3.117 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 -6.279 -6.680 -3.920 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 -2.015 -3.158 -2.397 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 -15.644 13.720 -6.495 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 -10.372 8.126 -8.743 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 -1.017 3.256 6.434 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 18.974 8.263 40.050 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 20.390 5.416 6.892 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 -0.244 -0.447 -2.138 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 0.209 -7.400 -9.815 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 -5.804 -13.622 12.364 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 -0.768 0.941 1.821 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 -3.728 -9.848 -29.231 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 -7.942 -7.241 -12.222 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 -1.355 -4.073 -2.561 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 13.762 -5.159 0.226 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 -7.333 -6.213 11.326 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 -0.835 -4.272 -4.704 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 -9.042 -3.502 17.201 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 -17.093 -4.841 -7.466 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 4.221 2.967 2.362 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 -10.956 -17.397 2.563 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 -13.414 10.892 14.015 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 1.683 -1.259 -11.406 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 3.786 3.090 -14.054 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 -3.609 1.677 -11.530 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 2.936 3.322 -0.032 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 -2.120 4.702 -6.511 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 -2.817 5.653 8.825 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 -2.608 -3.510 -0.062 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 9.967 -4.098 -16.207 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 10.815 -0.544 -7.041 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 -1.483 -4.708 -5.713 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 -9.273 -12.724 5.977 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 0.238 15.930 4.656 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 -3.723 -7.224 5.447 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 1.280 3.890 -13.004 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 6.174 -1.680 8.693 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 -5.498 -0.084 5.110 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 -4.213 3.825 -4.244 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 -0.014 -4.359 6.565 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 5.535 0.113 -1.820 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 6.890 -3.635 -5.350 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 -0.241 -3.784 -11.737 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 7.197 -5.108 -1.836 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 12.354 -2.034 -7.470 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 2.683 0.222 -3.207 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 0.779 0.019 -2.043 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 5.813 2.235 -9.458 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 6.570 6.442 -22.858 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 -5.306 -2.520 -5.999 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 -6.147 -3.645 -5.257 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 -9.064 -31.323 -2.835 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 -0.608 0.293 -5.758 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 -10.803 8.457 -15.356 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 -7.503 5.961 -12.450 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 -0.866 0.051 3.316 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 16.757 29.525 7.803 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 -6.859 -36.219 5.562 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 -3.655 0.341 8.032 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 -12.165 8.509 -8.292 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 9.278 21.601 -25.016 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 3.451 -2.524 -0.677 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 6.953 1.523 -2.399 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 3.728 8.068 -16.939 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 5.068 -5.260 -1.592 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 2.301 7.579 16.419 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 0.865 2.891 -9.021 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 -3.177 0.462 6.293 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 18.691 3.080 -11.498 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 3.375 -0.390 -1.289 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 3.180 -0.772 -3.851 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 3.499 -1.437 -3.989 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 10.958 -3.761 5.302 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 6.366 5.902 2.662 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 24.168 4.013 26.032 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 -9.733 -0.020 3.150 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 0.795 -4.752 -2.763 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 -0.796 -11.411 -1.150 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 3.978 1.837 1.358 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 4.004 4.975 1.981 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 5.636 5.487 4.061 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 6.664 17.158 -4.174 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 -1.242 3.572 1.172 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 -1.659 -1.484 -2.030 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 1.837 -4.743 -4.611 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 -7.754 -4.740 -3.875 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 7.994 20.631 -6.877 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 -4.395 -7.294 8.320 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 -4.532 -9.484 -2.083 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 -7.639 -4.400 -2.063 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 1.723 -14.940 -4.032 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 -3.595 -3.786 5.884 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 5.809 6.710 -6.407 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 -24.520 21.841 -13.315 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 0.846 4.498 11.095 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 9.076 6.771 30.901 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 -4.221 -1.420 1.745 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 1.157 -2.587 -3.646 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 -0.429 0.586 0.549 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 9.412 -11.892 -20.813 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 -2.036 5.753 3.217 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 40.832 9.635 12.813 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 23.903 0.606 20.334 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 -4.329 -1.956 -6.122 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 -21.409 9.679 24.947 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 -9.468 -4.443 5.674 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 -4.990 4.865 -4.888 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 -2.543 2.162 -0.150 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 10.470 -15.887 7.517 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 -7.246 -2.529 -4.752 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 6.224 -13.077 1.091 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 -9.456 -14.162 -8.443 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 -3.976 -3.561 1.445 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 -13.668 -5.667 -1.504 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 14.754 12.309 4.711 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 -0.623 -2.157 -2.035 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 -11.472 1.932 -0.659 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 9.984 -6.400 -5.797 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 3.429 -1.739 -0.917 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 0.833 3.445 13.991 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 11.995 12.198 -8.183 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 3.412 1.635 -1.751 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 11.507 -11.581 9.749 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 -12.903 2.868 5.555 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 -2.570 -6.462 2.810 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 1.877 -2.089 4.021 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 3.419 -6.519 7.154 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 -0.054 -4.898 -0.773 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 -4.207 4.643 -10.581 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 -3.267 8.252 -8.999 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 -0.404 -0.452 8.133 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 2.897 8.779 -12.820 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 -3.968 -3.197 5.709 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 -4.282 1.428 3.047 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 8.262 -5.909 -2.602 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 -7.564 3.138 19.135 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 -4.053 4.936 -5.706 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 -7.650 17.612 0.501 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 -12.854 16.997 -5.693 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 2.623 2.790 -5.463 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 -15.424 22.818 -12.428 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 11.846 -12.463 6.817 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 1.878 -3.410 1.543 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 4.430 3.101 6.654 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 6.312 7.376 5.880 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 1.359 3.292 8.100 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 -5.428 -29.892 -17.342 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 -14.997 22.672 -7.769 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 -0.853 5.266 -1.153 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 2.575 15.038 -2.286 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 -7.369 -11.191 0.399 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 -5.095 -3.942 5.238 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 -23.292 9.951 -11.078 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 1.133 -9.074 9.737 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 6.585 -2.073 -0.299 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 7.933 -1.522 0.942 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 5.312 -3.111 -0.041 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 2.628 2.723 -3.600 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 -4.009 -30.711 -12.521 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 -1.461 6.982 -9.040 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 5.194 -1.064 -3.585 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 -6.472 -6.976 31.406 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 1.716 4.523 -1.905 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -3.734 -5.280 -5.081 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 6.363 -18.579 -12.533 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 -3.517 1.095 12.087 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 -6.473 5.223 -5.959 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 -18.558 6.287 14.918 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 16.753 13.085 -10.288 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 -0.198 0.802 3.381 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 -0.360 4.012 2.068 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 -4.038 1.455 3.252 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 3.922 -6.560 -1.559 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 3.048 -6.516 -6.653 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 3.112 -10.034 -2.583 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 6.419 -3.582 -0.189 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 9.599 3.793 -6.368 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 15.062 -8.356 1.696 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 2.448 4.042 -2.847 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 16.322 3.587 2.209 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 -5.742 15.121 5.819 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 0.712 1.331 2.112 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 -10.589 -6.075 11.294 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 3.742 14.426 12.150 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 0.243 3.182 0.680 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 0.040 13.388 7.521 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 -8.972 -1.384 -13.226 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 6.275 -0.631 5.070 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 19.150 0.061 28.714 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 -8.651 0.124 18.865 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 2.592 0.286 -7.557 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 6.295 8.230 22.442 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 19.181 4.310 -12.995 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 -8.903 2.485 -0.422 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 -16.110 -6.773 -1.462 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 3.792 24.837 15.360 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 -1.067 1.613 -2.529 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 6.807 23.726 -18.699 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 31.005 7.887 -14.987 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 -0.916 4.834 4.914 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 14.651 4.513 2.868 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 -6.409 0.613 -3.705 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 3.694 2.045 1.115 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 -1.073 0.447 4.052 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 2.125 9.773 -0.305 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 0.643 7.948 11.978 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 -20.234 -2.766 4.210 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 14.943 0.592 -5.659 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 0.485 2.595 -4.108 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 0.689 -4.638 -3.255 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 14.940 -1.739 15.956 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 -4.631 1.664 4.026 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 -4.999 -5.841 -1.331 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 -0.147 -14.967 3.898 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 -8.473 0.849 3.022 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 5.300 6.898 8.175 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 15.173 6.914 2.828 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 -0.109 -0.537 -6.033 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 -11.650 -6.580 3.404 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 20.624 10.957 2.152 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 -3.589 -1.012 -6.830 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 10.269 0.678 4.179 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 -3.991 -16.457 16.531 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 3.027 -5.231 1.448 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 12.701 -12.907 5.421 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 6.072 6.042 6.875 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 0.697 -0.354 4.829 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 -0.398 -17.016 19.341 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 2.267 24.364 -18.183 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 1.304 -3.029 -9.092 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 31.563 -3.495 -17.186 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 -43.879 -23.902 0.915 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 3.208 1.153 -1.688 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 25.083 -1.550 -6.421 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 -8.101 -0.065 16.102 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 0.607 -0.623 2.378 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 -15.177 -4.150 -15.580 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 -6.027 -2.142 -5.407 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 0.594 -1.333 -0.505 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 5.583 -0.366 2.915 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 9.618 -5.411 2.298 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 -0.912 -2.140 10.936 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 -10.835 4.116 17.997 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 12.612 -7.060 0.841 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 2.508 5.765 1.850 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 -1.810 -1.318 -5.266 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 -6.000 12.928 0.673 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 0.322 2.269 -0.733 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 1.601 13.431 -1.681 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 10.252 -0.263 0.317 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 0.406 2.726 3.857 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 27.736 -12.712 -0.221 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 -9.293 1.722 18.689 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 -0.680 3.433 3.117 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 20.420 7.751 -3.298 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 -12.904 15.725 -13.972 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 0.541 -6.550 -5.028 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 -2.221 7.637 -7.186 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 3.644 2.579 -11.454 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 1.392 -2.646 -2.974 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 -0.604 -4.313 -10.278 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 -1.888 -2.953 -6.662 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 -0.727 8.120 2.735 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 21.505 -2.924 17.328 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 -22.377 17.169 -2.953 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 -2.038 -0.590 -6.905 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 -1.645 0.276 -9.262 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 -1.751 -5.768 3.485 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 2.586 2.131 1.495 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 3.847 -0.185 -1.894 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 -30.162 -9.657 -15.384 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 0.905 -6.843 4.232 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 -3.031 -13.834 -12.924 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 -10.557 18.960 5.179 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 0.391 4.373 -2.991 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 12.485 -8.760 -10.105 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 -2.470 0.483 7.868 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 0.158 1.624 -0.184 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 4.619 3.555 2.805 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 5.268 2.280 -10.233 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 -1.162 -2.503 -5.238 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 -14.200 0.751 -11.978 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 -32.858 0.380 -4.243 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 -3.052 -5.320 -0.091 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 -1.322 -8.386 -2.111 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 12.207 -16.230 -5.761 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 -2.902 0.019 2.634 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 -21.503 2.390 -5.532 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 14.399 1.924 -13.743 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 -0.232 -2.165 -4.530 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 4.887 -3.796 -6.121 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 -3.272 -0.064 0.349 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 -7.741 -8.903 -1.548 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 -8.101 -1.130 -3.109 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 -7.925 -9.061 -3.200 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 -0.100 8.602 -8.151 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 2.403 8.636 -7.012 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 12.225 18.352 -5.510 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 -8.701 2.088 10.154 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 2.966 1.434 2.085 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 -9.280 1.803 11.578 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 1.821 -4.423 -1.549 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 -2.041 -1.839 -0.640 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 5.660 -6.768 -1.343 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 -0.253 6.439 -9.982 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 -3.790 -7.462 -9.695 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 2.001 1.852 -10.464 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 1.268 -2.635 -0.494 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 -3.510 -21.690 4.728 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 18.790 -14.864 18.332 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 2.360 -0.473 0.251 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 13.092 -2.007 -16.295 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 13.621 9.657 12.820 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 -1.786 -2.505 -1.752 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 4.068 -15.742 -7.545 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 0.529 4.527 6.556 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 0.580 -3.508 -2.107 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 9.903 -23.504 3.351 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 21.799 -3.786 5.543 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 -1.370 -1.228 1.949 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 2.600 -20.114 10.141 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 -34.939 23.936 2.702 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 4.861 5.217 -1.377 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 14.547 3.995 -6.693 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 -8.496 34.724 8.449 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -0.937 -4.611 3.839 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 -1.846 -3.435 10.853 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 0.403 -4.957 -2.343 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 6.629 0.090 7.086 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 2.422 -26.287 -3.220 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 26.004 -2.592 13.055 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 1.149 0.645 -3.450 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 -0.458 11.379 -12.326 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 7.443 -10.227 -7.310 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 -1.189 -3.940 3.771 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 -11.747 18.816 13.023 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 -8.228 3.228 -26.296 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 1.061 -3.559 -1.604 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 6.366 -10.927 2.780 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 0.197 -11.919 -1.985 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 5.119 -0.219 -0.234 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 6.187 4.815 -21.730 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 9.070 14.621 4.006 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 0.295 2.827 -2.937 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 -24.629 19.605 6.470 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 -6.794 -26.179 5.734 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 1.773 -0.010 5.100 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 -13.292 9.561 18.601 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 15.686 17.723 2.409 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 -1.061 1.716 -7.590 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 0.166 -23.110 1.645 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 -15.135 -6.512 18.105 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 4.857 -0.328 5.498 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 27.268 7.108 5.565 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 12.883 13.993 15.649 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 -3.212 -0.041 3.819 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 -17.278 0.617 -25.379 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 6.147 -2.328 11.730 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 0.109 0.226 -4.123 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 -0.330 -14.400 -1.569 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 11.931 8.020 -4.313 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 0.823 1.696 0.859 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 10.135 0.752 5.464 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 6.934 3.180 15.516 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 -0.055 4.157 -7.712 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 11.502 16.633 -8.935 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 1.120 -7.061 -19.910 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 -3.484 6.493 -3.566 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 2.841 -22.756 -21.948 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 -4.865 26.329 -26.802 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 1.516 -0.350 -0.637 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 -18.157 5.429 -17.926 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 -22.234 4.559 16.851 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 -6.793 1.099 0.074 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 -14.604 -0.008 19.336 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 15.414 2.524 -10.126 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 -7.407 2.203 -6.997 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 -12.453 16.099 4.564 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 -4.868 10.411 -23.362 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 -2.969 -7.738 0.775 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 10.542 -8.899 5.031 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 -20.746 -3.947 12.300 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 6.253 -1.422 -1.776 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 9.761 -0.426 -2.014 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 0.220 3.726 2.345 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 1.195 -1.385 -2.664 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 -1.566 21.598 -13.159 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 -25.749 -1.017 8.232 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 4.500 2.343 2.225 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 10.058 -18.281 0.812 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 15.950 9.835 -10.491 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 -5.521 -2.225 3.776 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 0.811 -6.171 5.430 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 -9.581 -3.082 1.652 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 -0.620 0.019 1.711 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 -8.981 23.982 9.972 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 1.481 2.730 -0.916 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 -5.681 -3.262 5.590 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 -2.726 12.191 -6.669 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 -12.679 -14.829 1.024 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 -8.445 1.291 -2.522 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 18.481 9.945 -5.229 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 -3.176 2.647 -3.298 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 -0.765 -0.287 2.763 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 -6.048 8.387 -9.937 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 -26.224 -8.454 -5.557 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 2.085 -3.446 -4.135 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 1.003 -1.970 3.580 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 -1.583 -0.864 16.268 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 3.857 -3.315 1.690 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 -2.944 10.474 24.340 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 -8.747 15.753 -3.417 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 2.101 4.279 0.706 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 3.857 -8.320 7.879 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 1.584 4.648 -15.876 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 0.008 2.568 1.068 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 -1.190 3.106 11.542 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 5.408 17.132 -13.653 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 -4.070 -2.263 3.230 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 1.179 -0.915 5.276 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 -5.610 1.913 0.985 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 -0.514 -4.732 2.382 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 -2.066 -16.559 5.242 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 4.065 20.678 -7.307 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 1.784 3.123 0.492 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 -0.447 14.900 -11.148 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 -9.375 2.084 5.662 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 -1.032 -6.724 4.408 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 16.938 10.764 14.074 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 -8.689 6.693 -2.689 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 -2.487 -3.785 7.251 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 0.384 -15.346 7.181 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 15.653 -29.942 2.378 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 -1.136 -2.029 6.190 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 4.789 7.192 26.506 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 35.658 13.933 9.422 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 -6.928 -1.847 -1.324 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 1.612 -12.288 12.465 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 -3.691 -6.959 5.517 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 -5.914 -6.013 -2.377 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 -7.098 -2.688 13.087 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 0.934 14.336 -15.436 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 -3.417 2.291 -0.269 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 -16.174 -8.868 -1.515 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 -8.728 0.577 0.385 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 1.820 -0.439 -3.749 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 -0.223 30.484 23.954 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 0.760 -3.885 -7.055 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 -0.094 1.897 3.235 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 -5.667 -3.537 6.669 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 -12.507 2.359 40.878 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 0.628 5.409 6.068 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 9.305 17.529 -9.239 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 0.613 -34.323 5.177 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 -2.857 3.500 2.524 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 -14.491 2.446 6.114 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 -12.730 25.458 16.496 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 -12.656 -3.045 -6.279 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 -4.559 -10.916 3.527 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 -0.079 -13.853 -5.284 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 -3.988 3.285 3.802 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 6.054 -3.021 4.173 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 14.953 -4.434 4.676 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 -4.297 0.650 -6.364 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 -5.598 8.794 -11.610 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 4.133 -1.975 -11.589 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 -0.219 5.788 -1.776 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 -10.274 -5.106 -3.388 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 26.654 19.147 18.502 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 -4.341 0.741 6.073 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 1.251 -9.356 5.178 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 -9.922 4.597 6.522 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 -0.159 2.854 2.114 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 2.586 10.803 3.478 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 6.243 -1.808 4.741 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 0.748 2.219 2.518 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 -15.891 -14.468 -7.450 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 -7.623 12.391 -13.113 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 -8.716 -3.582 -0.057 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 -7.914 2.197 -8.270 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 -5.439 -1.606 -0.826 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 -3.301 -2.922 -10.360 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 4.383 -1.715 -18.342 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 -13.471 -4.846 0.826 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 2.453 5.457 1.046 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 6.623 5.522 -7.717 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 -9.637 -7.837 8.927 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 -3.231 5.621 3.845 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 -15.440 0.113 10.469 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 4.239 8.797 24.181 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 -1.427 3.752 -3.772 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 -0.661 -2.075 -4.715 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 1.962 8.107 -9.667 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 -0.501 -5.166 0.132 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 2.311 -2.163 -6.838 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 11.256 -18.360 4.742 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 -1.983 -3.464 2.850 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 0.996 -12.888 -6.931 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 -2.046 -7.054 -4.827 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 -1.716 -5.440 4.652 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 -16.418 16.085 -6.807 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 -3.974 16.624 29.297 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 -4.966 7.378 1.671 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 1.614 21.902 1.196 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 3.302 -0.388 -7.662 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 -5.660 0.000 0.674 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 -19.748 5.191 -3.627 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 -1.738 13.114 6.946 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 -5.770 -4.105 -1.601 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 6.611 -15.422 -7.141 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 1.685 -0.850 7.293 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 -0.462 0.823 -7.183 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 11.524 7.413 2.313 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 -4.919 -1.817 -7.383 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 3.105 0.511 -5.047 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 -7.029 -11.010 -0.246 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 3.084 8.723 6.253 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 5.851 -0.652 2.808 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 1.386 -2.566 14.126 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 11.252 -9.519 0.071 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 0.506 -3.776 -0.863 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 1.397 -12.638 10.809 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 16.309 20.427 -6.436 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 2.653 3.005 -2.964 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 2.130 -9.509 -29.310 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 12.761 2.063 -24.925 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 -3.432 3.974 1.318 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 3.595 -0.100 -0.867 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -5.396 5.469 -24.224 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 7.446 -2.484 0.599 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 8.424 10.664 -9.024 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 -8.374 -10.611 -4.212 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 -0.067 -6.163 2.780 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -0.311 -4.179 2.445 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 2.404 -2.557 4.595 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 -2.875 7.587 5.666 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 4.760 11.801 13.029 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 0.732 12.477 -11.502 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 4.684 2.055 2.362 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 6.212 4.993 -11.928 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 20.562 -6.395 4.576 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 -10.904 -7.315 -4.754 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 1.950 -1.715 -16.126 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 -18.713 23.241 16.637 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 1.983 5.289 5.349 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 7.030 -1.925 6.371 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 -9.051 6.183 5.724 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 -2.888 -3.261 -4.845 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 15.498 -5.867 -25.183 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 -17.025 15.152 -11.282 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 -1.744 -2.454 3.909 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 -10.430 -10.936 13.213 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 -0.374 1.916 8.224 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 -0.191 0.376 -1.128 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 10.589 3.751 -23.768 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 -6.113 -14.508 4.410 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 -0.464 6.545 6.095 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 25.375 -7.287 -26.070 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 9.345 -12.778 -21.725 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 -1.681 5.370 -4.983 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 5.676 3.745 1.863 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 4.490 5.806 0.106 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 4.513 0.816 -5.182 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 10.007 -2.782 -1.312 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 -16.802 20.298 -17.095 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 2.833 1.932 0.718 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 -5.941 12.156 -1.351 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 -7.166 0.514 -0.719 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 -6.319 1.220 -6.122 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 -4.161 -14.997 -24.750 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 1.555 14.386 -12.159 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 -0.469 2.390 -3.945 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 1.847 4.268 -11.780 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 6.337 -8.614 -4.598 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 2.657 -0.821 -8.323 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 0.105 -1.173 -3.758 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 -5.167 4.270 2.542 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 6.925 -1.076 1.481 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 -14.319 -0.839 -2.825 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 0.142 8.112 21.832 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 -7.845 7.080 -4.800 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 2.803 10.569 -12.140 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 2.790 -3.822 -5.349 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -2.189 2.701 5.965 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 0.165 4.400 10.611 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 -5.215 0.850 -2.183 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 3.674 -0.584 -3.989 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 3.772 -15.273 12.886 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 28.450 7.869 -3.815 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 0.353 -2.044 0.378 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 8.812 -8.139 5.866 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 0.206 -12.882 -9.933 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 3.887 -1.695 0.286 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 0.374 -44.662 22.833 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 -12.899 -11.530 -3.761 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 -2.247 -1.782 3.853 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 4.890 -2.479 -6.672 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 1.783 -1.061 8.372 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 -1.309 -4.707 0.997 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 -15.041 -17.980 -1.288 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 7.471 -14.338 -5.522 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 0.161 -3.515 0.268 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 5.040 -6.759 13.684 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 -7.568 9.228 2.476 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 -1.091 -4.360 3.094 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 0.507 -18.744 -37.122 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 -5.599 -8.654 -13.304 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 2.970 -1.354 0.351 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 0.744 -0.083 -0.503 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 -2.538 -5.907 11.247 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 -0.357 -5.361 0.817 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 -8.286 5.167 6.008 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 -1.900 -11.000 29.243 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 -3.295 4.580 -5.685 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 -0.069 4.871 -10.945 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 -18.241 6.063 19.456 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 -0.345 -5.571 4.340 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 6.531 -18.320 -19.873 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 -21.591 0.028 -20.866 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 -2.843 2.351 6.653 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 -5.824 17.800 -4.276 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 1.800 16.895 -19.136 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 0.736 0.683 -3.712 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 3.067 -9.936 -16.335 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 -7.198 13.557 -5.404 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 -0.322 -2.600 -2.663 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 -28.954 16.510 6.286 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 -20.799 3.375 -14.450 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 4.488 -3.051 -5.878 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 10.777 -13.929 -11.985 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 -8.364 -4.054 -4.174 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 8.825 -1.941 -1.077 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 4.126 -8.563 -6.792 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 5.812 7.179 -4.100 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 -1.449 4.060 -3.371 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 13.555 -0.807 6.186 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 -0.815 7.961 -12.480 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 -2.008 5.858 3.612 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 -0.911 13.454 -0.601 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 -1.146 1.161 5.998 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 -0.436 -2.003 2.069 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 -8.027 13.914 0.643 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -20.068 13.847 -0.277 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 1.004 1.512 6.508 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 -3.110 5.274 1.424 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 5.320 0.012 -1.233 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 -0.303 -6.428 6.179 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 7.533 -5.820 18.750 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 -7.659 -8.108 -19.434 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 2.413 -2.653 -1.424 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 0.897 -7.623 -3.608 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 9.283 6.570 0.892 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 0.535 0.411 1.990 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 -8.687 -18.053 -11.528 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 -10.834 -20.453 -11.060 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 -5.436 7.378 -0.929 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 2.515 0.123 -14.160 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 13.068 17.540 4.247 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 -2.689 -6.437 -2.282 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 -29.883 6.755 -11.971 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 -18.577 1.461 -6.885 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 -3.844 -1.097 6.042 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 -8.012 -3.855 9.384 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 -19.652 -10.881 20.073 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 1.049 2.708 -2.125 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 -0.756 -13.764 11.199 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 3.576 -4.848 -21.386 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 -1.470 -4.169 -1.676 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 -19.858 25.225 -15.591 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 15.285 -16.997 2.007 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 -3.095 5.152 4.977 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 -31.951 -0.140 -6.281 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 -1.440 -5.339 -7.744 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 2.836 2.334 3.068 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 -3.461 10.785 -12.729 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 -6.513 -7.311 -3.344 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 -2.619 0.904 3.605 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 -7.722 -0.662 14.276 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 -5.950 -15.634 -13.897 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 -0.129 5.082 5.844 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 -2.070 37.518 15.208 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 -5.343 -2.876 -20.319 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 4.152 1.574 1.905 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 26.176 12.087 -7.509 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 -1.593 -2.209 4.269 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 -0.369 5.093 -5.256 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 1.393 3.182 8.015 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 8.442 1.258 12.845 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 -0.350 -3.651 4.192 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 -4.877 -2.380 0.422 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 -0.194 -14.784 10.933 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 -0.224 -4.608 2.240 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 17.654 -2.793 6.355 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 23.962 -2.595 6.859 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 1.746 -3.674 6.166 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 16.444 -5.473 14.925 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 1.321 -6.539 6.810 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 1.034 1.075 3.096 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 3.123 -1.926 2.960 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 3.790 3.276 6.291 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 -5.525 -1.266 3.931 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 3.775 -18.889 3.985 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 0.788 7.308 -24.407 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 -3.077 -8.836 -3.969 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 20.220 4.624 -16.987 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 -14.936 8.503 -6.000 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 -6.123 2.765 6.259 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 6.966 21.818 2.561 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 -18.210 -19.867 28.911 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 0.321 2.825 0.960 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 0.002 12.146 -3.106 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 -10.003 8.545 -2.471 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 2.183 -3.455 -6.314 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 -0.381 -6.823 -11.923 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 -0.020 2.039 -3.280 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 -2.081 -5.275 2.398 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 1.975 -4.143 4.456 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 -1.877 -2.629 -0.947 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 2.248 4.530 -4.285 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 8.943 -5.993 12.992 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 -2.874 -10.376 -18.648 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 -3.490 1.644 1.664 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 8.562 9.129 18.959 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 -6.942 -4.749 -7.798 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 0.966 -0.959 -1.433 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 3.733 1.150 -1.090 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 4.013 -11.408 -2.584 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 2.313 0.128 -0.077 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 -8.018 9.671 -11.324 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 8.905 10.816 6.152 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 -4.233 5.461 1.408 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 -25.805 -12.499 2.124 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 3.529 10.740 3.130 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 0.008 -4.582 -2.435 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 -4.577 -3.420 3.076 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 -5.224 -10.479 0.500 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 -0.519 -0.589 -0.534 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 7.726 -13.339 -3.491 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 -1.358 5.903 0.178 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 5.367 3.573 3.144 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 12.914 6.623 -8.368 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 7.048 -12.845 10.343 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 -4.834 5.704 0.855 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 -6.122 4.322 -0.822 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 5.123 20.606 -15.472 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 -4.776 4.260 2.180 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 -2.918 8.416 4.905 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 6.166 20.599 25.210 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 0.846 2.381 -1.457 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 -7.689 -13.383 -3.164 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 11.010 8.270 4.031 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 -2.774 -12.097 4.554 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 0.756 -0.979 14.187 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 -20.534 -5.561 16.969 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 5.886 -2.398 -0.993 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 2.176 -12.676 -11.348 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 -16.620 -9.832 15.762 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 -3.529 7.356 2.823 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 4.664 -6.911 -2.152 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 7.939 14.047 3.894 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 -1.186 5.107 -1.245 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 -8.439 7.253 -15.417 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 -0.004 7.514 17.427 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 5.134 4.977 6.409 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 -0.799 -4.690 8.086 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 2.058 2.277 7.998 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 1.731 1.633 3.260 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 -8.496 1.978 0.898 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 -6.622 15.249 0.071 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 -1.723 -0.851 -8.419 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 9.503 -8.464 -5.341 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 -0.413 0.292 7.265 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 -3.709 2.848 0.482 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 -2.566 13.882 3.772 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 0.621 3.730 -3.857 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 -1.500 -6.094 5.715 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 -9.276 -3.092 -8.253 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 16.238 -5.700 10.390 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 1.399 -5.074 1.920 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 21.312 2.290 9.659 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 5.778 -2.201 4.387 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 -1.615 -0.495 2.264 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 -26.409 18.722 -5.120 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 4.221 14.999 -0.755 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 0.634 -1.066 4.406 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 18.715 -7.154 16.726 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 -14.219 3.584 -5.437 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 2.765 -0.113 -1.658 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 -0.050 -9.558 -0.198 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 15.985 -2.392 -6.264 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 -2.782 0.047 2.505 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 -17.053 5.328 -1.010 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 -10.117 10.448 -7.611 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 -3.920 -2.418 2.244 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 -1.337 -5.073 6.544 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 -4.388 -5.980 -3.355 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 2.404 6.057 5.012 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 -5.829 3.984 -15.362 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 6.670 7.575 25.827 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 -6.432 -5.743 -4.053 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 -12.627 -20.746 -7.487 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 5.988 0.115 -18.296 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 -1.400 -2.034 -6.173 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 5.686 1.653 -16.932 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 -5.678 -14.228 7.223 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 -2.968 -6.243 1.553 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 14.571 -8.122 10.865 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 4.934 -7.840 -15.323 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 4.049 1.862 -3.375 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 -2.673 -2.256 3.258 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 18.488 8.372 -11.161 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 8.870 -1.878 3.241 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 1.220 14.561 -16.690 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 -16.818 -15.263 0.481 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 -4.076 3.454 3.140 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 -21.264 -4.714 28.878 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 -5.480 8.075 -5.133 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 -7.575 -0.979 -7.460 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 -9.645 18.126 7.118 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 -19.714 -5.177 -4.587 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 3.449 2.066 2.770 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 -1.406 -4.655 1.173 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 7.898 -16.668 4.634 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 1.289 6.908 1.282 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 20.712 -7.345 1.306 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 19.410 28.474 -3.681 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 3.316 2.260 -1.191 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 -14.804 4.248 -35.512 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 2.194 -31.268 18.444 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 5.240 -0.271 -4.325 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 17.953 -5.861 -12.470 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 1.149 -12.020 5.955 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 4.290 -2.047 -4.073 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 5.123 -21.064 -24.494 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 27.133 12.344 0.253 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 -3.952 8.790 -3.091 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 1.204 -18.867 -13.712 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 -32.374 10.083 -8.288 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 0.533 -1.391 0.454 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 12.794 -11.120 -5.310 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 6.609 12.506 2.847 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 -7.418 4.565 0.209 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 13.005 -7.161 11.073 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 12.195 -18.489 16.443 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 1.997 -1.459 1.448 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 -7.907 3.402 -1.738 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 0.976 -6.425 11.076 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 -4.212 6.924 -5.905 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 0.051 11.815 13.134 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 -5.105 6.389 -8.019 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 1.648 -3.020 3.067 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 17.237 7.201 16.164 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 3.199 11.237 1.098 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 1.306 5.630 -1.390 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 10.208 9.618 -4.848 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 -10.049 5.774 9.535 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 -8.400 -0.954 2.327 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 -13.936 -14.298 5.185 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 4.858 28.922 9.296 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 -3.069 1.400 5.181 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 16.274 6.227 -38.761 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 -12.456 -1.822 15.044 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 5.308 0.935 3.206 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 -10.345 2.485 -14.134 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 -2.208 8.468 5.751 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 2.623 3.430 -1.060 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 6.231 24.547 -17.243 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 -25.491 -12.459 5.743 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 3.162 -0.013 2.957 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 -27.905 6.522 3.653 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 -10.987 12.453 -5.111 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 -1.822 -0.196 2.877 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 -5.242 9.225 -13.555 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 -6.679 -15.333 -3.827 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 5.095 3.342 3.490 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 1.119 7.156 -4.431 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 7.411 -5.338 -1.355 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 3.968 -0.691 0.409 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 -18.036 -1.930 6.613 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 8.218 1.129 -22.180 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 -2.909 -2.676 1.859 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 5.730 6.518 -24.270 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 -6.376 2.539 15.603 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 6.193 0.923 -6.864 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 -8.518 2.777 -19.161 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 1.611 -1.468 5.555 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 -0.661 2.623 1.942 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 2.667 -7.284 4.024 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 8.958 -3.252 4.500 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 2.505 4.862 0.401 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 -2.566 2.291 -2.534 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 18.410 12.437 3.395 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 -0.664 -2.064 -2.619 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 -6.156 2.057 -0.959 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 -1.552 -14.097 -5.134 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 -0.037 -1.073 -5.518 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 -9.089 9.592 -25.355 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 -1.557 2.899 -11.630 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 -4.257 6.571 -1.790 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 -2.356 0.538 -5.825 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 0.270 7.753 3.013 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 5.583 1.411 2.807 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 24.223 18.644 15.526 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 -5.761 -15.563 5.177 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 3.047 -0.956 3.192 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 -6.051 -0.917 -9.241 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 0.158 2.112 16.453 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 2.870 3.170 -0.649 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 -3.305 -8.233 -6.449 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 -1.416 -2.360 -4.501 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 0.241 6.090 -6.078 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 5.564 6.331 -9.343 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 -0.814 1.993 -6.267 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 0.208 3.132 1.196 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 2.496 -2.264 17.836 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 5.432 6.816 -15.738 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 1.536 4.063 -0.151 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 5.425 13.542 0.866 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 18.763 15.260 0.209 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 2.847 5.930 2.939 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 0.368 11.895 4.037 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 28.649 13.143 -17.815 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 -10.850 0.695 -6.588 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 -10.528 -2.304 -6.219 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 -4.398 -0.387 -1.832 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 -0.186 1.036 -2.371 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 -7.089 4.106 -4.972 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 3.760 -3.882 -2.167 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 6.660 -3.708 1.544 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 17.236 0.782 7.460 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 -1.211 -3.681 -17.429 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 -0.038 -2.363 1.693 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 19.233 -11.944 -3.346 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 -6.888 -2.862 -8.186 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 -8.395 2.065 5.624 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 -3.213 0.754 -0.164 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 -5.634 8.512 4.349 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 6.787 -0.898 4.496 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 6.843 -4.664 14.440 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 6.427 -1.877 4.830 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 -2.038 0.631 -2.810 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 3.821 0.723 0.598 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 10.942 0.678 4.544 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 2.597 -0.407 -0.482 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 32.590 8.368 -24.403 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 -4.481 3.275 7.324 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 0.356 5.557 4.984 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 -6.840 0.697 -2.027 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 -22.004 13.672 -2.741 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 -1.743 -4.364 -6.924 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 -3.651 5.228 -5.536 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 3.387 -6.627 0.552 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 -0.395 -1.380 3.907 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 1.300 -25.844 -20.402 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 14.382 -13.527 -6.425 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 4.188 1.060 5.374 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 -22.653 -5.668 31.811 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 3.008 7.870 1.158 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 1.048 -1.500 -0.099 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 -6.461 -16.668 -15.589 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 10.158 5.149 -13.090 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 -3.289 6.660 -4.639 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 19.081 3.915 -9.315 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 -35.069 9.577 4.936 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 -1.256 -1.234 2.760 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 9.637 8.182 -10.961 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 -4.913 -4.932 2.931 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 -1.156 2.388 -3.301 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 4.643 -6.163 3.572 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 -18.062 -0.531 -10.598 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 3.675 0.101 -1.688 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 13.440 -19.750 4.735 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 28.815 -4.670 30.505 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 3.535 2.523 -0.608 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 14.819 -4.769 -8.256 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 10.818 -1.849 -26.688 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 3.996 3.606 -3.538 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 -9.438 5.351 8.072 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 -10.670 10.451 5.811 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 2.720 2.941 0.886 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 7.948 0.266 -1.581 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 -3.348 4.958 1.386 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 -4.767 0.716 -0.500 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 -20.028 18.182 -20.681 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 9.012 8.221 17.854 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 -8.633 0.113 1.945 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 0.797 -0.890 8.083 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 0.028 8.657 -8.368 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 0.876 -1.559 5.456 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 -5.308 -2.986 22.720 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 8.656 -1.235 2.084 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 1.529 -3.236 -1.055 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 0.980 -4.210 1.354 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 -3.804 -1.147 -2.582 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 -9.663 -1.970 -2.690 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 -0.829 -0.817 -1.610 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 -10.279 -6.618 12.488 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 -6.555 1.303 -1.664 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 -3.556 -7.397 -4.066 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 -8.534 4.506 -10.277 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 -8.263 -1.413 1.048 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 -3.863 4.493 12.076 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 -7.010 -14.905 3.056 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 5.228 -1.829 -6.014 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 -2.927 -8.892 6.635 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 -8.210 12.837 -30.477 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 1.999 0.952 4.035 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 6.163 -0.974 -15.893 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 2.691 5.991 0.124 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 -6.892 3.693 0.308 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 4.022 9.121 28.355 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 -19.901 4.282 -4.509 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 -1.477 0.290 -6.492 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 1.938 5.103 -6.237 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 0.625 -16.723 7.504 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 -5.127 0.164 -5.060 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 -15.969 -19.185 -3.935 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 4.928 8.465 -6.562 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 -2.660 -4.573 4.543 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 11.938 13.332 -3.660 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 -6.841 -10.761 7.347 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 0.438 -7.929 -4.390 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 0.518 4.198 -13.537 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 0.361 -3.290 11.370 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 -2.201 2.376 0.106 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 -4.644 5.327 -3.056 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 0.618 -0.591 2.285 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 1.437 -2.808 4.634 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 -0.085 -5.936 2.010 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 -0.527 2.434 1.162 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 3.991 8.037 -3.880 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 -10.342 29.679 1.848 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 22.655 13.559 -10.200 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 1.090 -2.805 4.164 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 -0.831 -1.003 8.459 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 2.279 -3.207 1.980 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 -5.435 -7.171 -2.706 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 -6.473 -10.001 1.272 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 -5.672 -0.551 -7.548 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 2.761 0.192 -1.769 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 26.549 -41.589 -3.235 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 5.921 2.634 -20.325 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 7.692 -4.534 6.968 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 15.300 -11.384 5.125 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 -40.047 21.212 -13.491 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 -5.878 5.555 -2.721 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 16.778 2.561 -11.281 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 -8.290 5.700 0.239 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 2.503 1.559 3.020 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 -3.892 12.732 1.963 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 9.238 -5.411 5.442 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 0.754 1.395 11.820 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 4.488 0.232 19.002 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 -16.806 -16.036 -23.887 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 3.708 4.164 -1.254 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 3.860 3.780 2.609 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 0.504 5.450 -8.415 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 -3.551 -4.980 -2.085 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 -12.302 4.776 2.031 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 -6.080 -9.750 5.976 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 -9.474 -6.326 5.779 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 -13.276 9.899 4.587 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 12.176 -9.002 23.318 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 2.026 -0.325 0.236 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 5.028 -15.365 -18.854 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 -21.575 -6.921 -8.393 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 -3.812 5.262 5.887 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 -17.128 2.507 11.047 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 1.636 6.482 21.159 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 0.257 -5.617 3.087 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 13.297 -2.404 -9.646 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 15.104 4.645 -16.900 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 0.106 5.368 -4.689 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 -5.013 8.040 -4.923 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 -23.119 16.698 -2.257 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 -3.694 1.603 2.955 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 14.346 -6.534 5.773 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 -20.014 2.710 -10.713 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 2.008 5.016 -5.633 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 -8.190 1.300 -2.746 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 31.913 -19.756 2.472 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 1.152 0.965 -10.220 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 4.301 15.469 -13.748 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 3.599 -0.279 5.833 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 1.130 -8.626 -3.171 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 13.181 -12.914 0.293 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 -2.527 1.253 -8.758 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 -2.827 1.462 -2.973 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 1.179 -3.140 -2.959 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 29.492 22.075 -18.616 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 7.084 3.025 1.436 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 13.764 -7.526 -2.848 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 -5.452 0.597 -2.455 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 -2.427 -0.938 -1.360 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 -15.322 -3.404 17.964 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 -12.691 25.954 -11.316 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 -0.233 -0.715 2.175 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 -13.568 9.047 2.749 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 -6.204 14.655 -1.855 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 -5.485 -0.816 -0.192 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 -17.997 2.469 8.892 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 -26.232 -7.474 -7.225 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 3.673 0.931 8.807 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 -2.796 4.455 -10.534 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 5.844 5.566 2.618 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 -0.806 -8.040 -4.407 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 14.370 -9.748 0.835 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 0.854 -2.098 -19.422 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 2.471 -8.305 4.521 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 -4.897 -7.311 2.114 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 -15.293 -7.189 2.291 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 -2.362 -0.158 2.247 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 -4.679 -3.612 -2.288 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 -6.798 -12.085 -7.261 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 0.907 4.116 1.462 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 17.638 11.389 -3.654 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 -4.316 -1.895 -5.749 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 -3.893 -7.051 2.412 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 15.256 3.058 -1.311 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 -20.386 -15.613 3.019 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 -1.924 -2.291 -5.395 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 1.717 -1.295 -10.331 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 -14.337 -6.850 -17.671 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 -0.535 -1.109 2.536 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -10.629 4.215 6.005 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 1.830 5.292 4.560 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 -5.994 -4.858 -0.565 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 -7.380 -17.896 -5.313 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 -6.849 -6.689 14.063 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 -3.222 1.106 2.980 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 10.871 -5.511 -9.226 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 14.162 8.354 5.899 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 0.766 -1.287 2.449 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 0.253 -2.743 6.608 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 6.576 -1.316 5.102 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 -3.683 8.380 0.039 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 -3.691 1.923 -9.599 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 -6.678 8.808 2.542 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 2.595 -3.757 -1.231 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 8.197 -5.670 -12.209 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 1.431 -4.597 4.280 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 4.033 -3.982 -5.343 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 22.301 -21.487 -14.180 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 -4.687 -25.292 16.496 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 3.678 2.619 8.675 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 4.398 2.456 9.598 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 6.326 1.231 11.404 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 -4.731 -0.181 1.035 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 4.576 6.029 7.550 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 10.096 -5.655 8.681 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 3.750 5.397 -3.674 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 5.165 7.228 9.714 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 8.962 10.370 11.778 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 9.019 2.198 6.579 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 13.537 -10.476 0.941 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 8.444 14.265 5.769 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 -3.690 -0.994 2.337 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 -0.129 -2.871 7.918 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 -10.582 -1.179 -1.565 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 3.050 1.332 1.380 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 3.119 1.150 -14.133 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 -3.587 13.798 -2.002 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 -2.800 -2.327 0.003 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 1.535 -10.936 -1.684 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 6.062 8.821 10.328 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 0.320 1.642 4.021 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 -10.094 2.060 -1.082 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 7.025 7.745 -2.451 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 1.250 5.287 6.706 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 6.128 -1.903 18.955 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 0.296 -6.706 -9.910 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 -4.412 -2.767 1.989 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 3.955 -23.568 -6.705 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 14.806 9.775 0.866 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 3.822 -0.404 0.058 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 -7.361 -10.375 3.320 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 -11.425 8.009 14.015 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 -1.121 -3.950 -7.784 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 -3.157 -10.063 37.375 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 16.543 7.134 -21.131 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 4.320 3.566 -3.083 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 -4.598 8.941 -18.529 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 -4.398 9.112 -18.450 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 1.878 2.000 -4.871 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 43.242 -26.323 -4.580 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 -0.054 -12.326 -16.647 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 -6.122 -0.226 1.077 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 -2.419 5.816 1.262 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 -4.636 9.322 -2.123 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 2.529 3.510 6.191 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 3.633 -3.600 -2.113 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 -1.134 -5.612 -4.969 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 -1.970 2.138 -0.775 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 24.330 -8.698 12.783 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 8.833 -9.661 17.839 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 5.477 4.143 -3.503 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 9.940 9.148 3.121 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 -1.406 11.460 -8.944 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 -3.747 -2.983 -2.142 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 10.555 -3.299 -4.927 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 -6.667 2.710 0.007 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 1.953 3.530 7.355 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 6.173 41.820 1.592 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 -13.284 -10.622 22.919 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 -0.006 -10.054 -4.496 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 -37.714 17.896 -10.685 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 24.533 13.175 20.807 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 8.248 0.574 -0.163 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 -6.735 6.007 26.908 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 -14.196 15.296 18.731 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -0.366 0.622 -5.634 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 5.972 5.740 -8.446 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 22.430 29.484 -0.918 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 1.248 0.427 -1.798 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 16.509 -14.769 15.849 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 -1.000 8.534 -0.103 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 -1.044 0.217 -4.180 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 -0.719 7.951 -21.791 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -8.831 -5.033 5.805 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 0.611 -2.489 2.469 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 32.648 -3.123 19.176 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 -4.494 -30.777 0.380 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 -3.552 -5.515 -5.255 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 5.694 -3.811 0.958 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 -5.558 -2.926 -1.056 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 4.953 -4.985 5.429 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 -3.401 7.615 14.098 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 4.878 -6.605 3.250 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 -4.178 2.702 -2.509 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 -15.188 -0.271 -1.383 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 -3.015 13.335 4.277 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 -0.813 4.706 -3.302 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 -7.742 -10.268 -9.345 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 12.764 0.979 5.755 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 4.521 -5.713 -4.544 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 5.694 -7.588 -15.933 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 -24.141 -2.187 4.348 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 -0.641 0.457 2.318 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 4.191 19.374 13.159 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 -5.363 5.250 -11.933 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 0.860 -3.021 2.840 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 6.559 -13.453 -1.425 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 9.443 5.766 3.379 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 -0.921 -0.036 3.754 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 23.002 17.954 -8.492 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 -3.812 -10.615 -15.472 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 -4.213 0.830 -4.615 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 -11.448 3.993 -5.978 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 -6.269 9.680 -3.984 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 1.959 1.574 -3.790 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 11.237 35.674 -3.901 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 7.606 21.868 -3.477 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 -1.369 -5.774 4.219 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 -0.278 -4.355 -3.368 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 1.144 -13.026 5.164 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 0.160 0.101 -4.140 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 4.861 -0.437 -4.787 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 3.123 3.785 1.843 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 1.719 -0.072 -2.799 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 3.105 1.598 -3.215 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 -0.364 -2.459 -2.871 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 8.359 6.513 -3.957 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 13.006 -0.607 -4.920 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 -11.114 -3.438 10.667 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 -0.436 4.699 -0.468 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 1.957 -0.044 -5.400 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 -0.058 -6.734 -9.968 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 -0.899 1.556 -3.956 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 3.961 18.614 21.075 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 3.810 -20.253 -14.282 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 0.626 2.502 1.948 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 1.318 -1.453 -4.606 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 -0.499 -0.947 6.623 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 -1.637 1.302 3.101 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 4.472 12.929 1.703 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 7.040 9.403 6.346 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 -3.019 3.410 -5.590 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 -6.635 4.540 -7.348 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 3.921 -16.038 -1.171 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 -5.024 -1.337 -2.626 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 -6.445 6.979 15.431 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 10.706 -7.965 -2.418 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 -4.625 6.482 -1.306 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 -0.752 12.102 4.934 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 -7.622 2.759 -1.087 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 -5.561 -6.781 3.771 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 -9.231 6.233 -7.596 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 -17.068 12.126 17.965 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 -4.635 -0.185 -2.567 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 5.867 0.844 -5.775 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 6.012 -26.413 -2.329 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 6.792 9.569 -3.219 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 4.534 3.850 -2.317 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 4.511 17.010 -0.922 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 3.146 -1.187 -3.215 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 15.567 8.076 9.331 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 7.771 -3.880 0.127 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 -0.206 2.667 -2.488 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 15.448 13.274 5.474 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 3.066 -0.309 -5.038 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 -8.300 2.187 1.134 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 -7.462 -0.810 0.900 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 -0.925 0.571 8.165 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 1.390 2.972 -0.199 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 12.593 5.597 10.389 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 -10.949 -1.952 9.977 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 6.373 3.719 1.614 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 -3.053 7.682 -15.304 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 18.416 10.587 -2.526 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 -0.497 1.933 3.114 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 -7.759 11.827 11.995 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 4.073 -0.911 -1.359 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -6.518 -0.606 2.712 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 -24.911 7.081 15.175 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 -0.629 -2.703 0.160 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 7.615 3.625 4.065 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 16.364 8.212 -4.483 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 8.470 11.010 12.995 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 -2.312 -0.490 -8.407 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 8.443 1.986 -9.169 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 -4.125 -10.277 -4.663 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 -2.469 0.830 -3.824 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 12.467 -6.005 5.687 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 -1.297 -3.736 3.624 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 2.898 2.713 7.257 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 15.516 -10.426 -29.415 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 23.979 -8.235 -16.202 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 2.921 -5.449 3.695 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 5.197 -5.400 10.434 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 -5.435 -0.423 9.384 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 -0.927 1.367 -1.543 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 9.343 -17.193 -0.425 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 -2.373 32.816 -0.172 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 -1.168 -0.589 -3.495 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 14.066 -8.150 -7.145 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 9.843 -4.868 -8.762 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 -1.115 0.660 -6.294 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 -17.937 -12.402 -19.795 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 0.876 -10.743 16.561 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 1.226 0.972 -2.238 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 -11.430 -8.035 -9.705 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 0.846 -3.556 -10.970 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 -0.224 -4.341 3.405 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 5.371 -12.100 -0.398 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 2.755 -12.872 0.708 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 2.224 3.342 0.939 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 3.914 -16.051 15.354 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 6.679 -11.680 -27.305 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 -2.425 4.899 -3.054 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 -3.330 -3.134 -7.009 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 -9.425 8.388 10.813 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 5.361 11.537 -2.314 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 -10.061 -7.852 -23.037 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 10.689 15.231 14.535 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 5.901 1.266 5.592 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 6.719 5.740 -4.088 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 3.860 -6.436 18.776 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 2.894 1.564 3.142 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 0.476 15.328 1.292 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 4.212 -10.012 3.988 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 4.414 -1.660 1.659 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 -1.430 5.923 5.487 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 -2.194 0.000 6.715 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 -4.244 -0.674 -0.190 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 -12.124 -9.201 6.520 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 -8.981 25.058 2.900 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 -4.321 -4.345 7.561 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -8.712 -13.229 4.813 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 -0.150 -1.144 9.865 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 3.147 0.698 1.478 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 -15.964 -1.759 21.336 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 -2.474 0.395 5.811 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 -2.084 -1.338 0.136 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 -19.689 -4.613 -6.375 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 -18.248 -2.116 -4.636 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 -7.765 -2.428 -3.273 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 3.866 -3.424 2.187 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 -7.264 -9.908 -15.383 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 -1.147 -4.910 -2.054 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 31.141 0.217 -15.046 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 -11.377 19.899 0.409 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 4.584 -0.012 3.444 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 15.532 33.167 26.978 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 -0.968 -21.256 7.475 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 1.756 -6.844 -3.016 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 -10.507 -5.702 -0.894 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 7.448 -0.217 0.369 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 -3.469 8.788 3.883 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 19.707 21.979 -0.390 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 -33.325 21.084 -6.858 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 1.319 -2.683 3.407 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 7.876 -6.917 12.631 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 -6.137 -1.481 -2.159 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 -12.410 -2.140 1.700 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 -12.789 3.388 1.604 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 -5.646 5.654 -3.015 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 5.207 -1.265 6.537 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 18.540 -9.575 -8.914 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 -1.395 0.028 0.582 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 5.070 6.787 4.142 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 -0.505 11.654 8.562 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 0.099 6.703 2.208 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 8.014 -5.475 3.318 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 1.459 -16.363 7.643 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 0.426 -17.683 8.731 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 4.226 0.100 2.230 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 1.519 4.355 10.964 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -1.702 3.285 -8.723 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 3.921 -3.843 4.358 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 28.712 9.418 9.290 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 1.057 -6.664 2.446 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 8.161 -0.521 0.778 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 31.558 1.538 -0.381 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 -21.462 0.734 -6.523 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 -4.398 5.552 -2.345 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 7.995 0.917 -10.007 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 -12.873 0.167 10.263 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 -2.972 1.532 -1.502 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 -8.329 8.602 -4.226 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 2.126 5.401 -10.995 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 2.402 -0.645 0.173 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 2.034 -0.850 3.848 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 10.093 4.762 -12.353 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 2.248 2.704 -2.974 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 11.701 -19.001 -6.929 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 3.242 -0.688 -2.478 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 1.199 -1.570 3.817 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 -18.414 35.111 -2.238 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 36.392 1.003 -6.237 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 -0.452 -2.626 -1.958 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -1.778 -3.346 9.958 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 -4.758 2.440 -5.978 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 -4.333 2.743 3.514 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 11.313 -0.800 -13.802 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 4.177 2.721 -14.959 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 -1.793 -2.460 -0.865 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 -6.127 -6.700 -9.099 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 -5.099 19.396 11.079 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 2.216 -0.065 -0.376 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 15.157 -8.693 11.394 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 5.362 16.078 -6.045 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 -1.772 1.135 -3.773 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 -6.830 -5.693 -17.800 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 -4.467 -1.238 -9.168 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 -2.357 0.913 -4.061 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 -3.961 2.724 -4.224 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 -1.156 1.551 -4.210 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 1.109 -2.874 3.850 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 1.668 2.909 1.636 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -0.634 -7.082 0.124 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 -4.996 -0.377 3.911 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 -6.346 6.171 6.792 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 -1.030 -25.417 -17.586 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 -0.655 2.636 3.045 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 7.427 -3.054 17.811 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 -1.435 16.453 5.805 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 4.255 5.996 2.899 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 9.778 6.768 23.159 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 8.030 7.359 18.690 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 -1.766 2.464 3.022 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 2.424 6.107 -2.510 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 2.386 1.760 -13.242 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 8.178 -1.496 6.453 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 11.733 -30.685 -49.224 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 20.620 -28.031 -13.792 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 -4.525 9.716 1.519 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 -24.893 -3.232 0.695 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 6.380 -5.265 0.728 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 -2.030 3.602 -3.358 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 -1.549 -22.392 -19.691 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 -2.120 -5.641 -2.255 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 -1.241 -1.874 -0.048 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 -1.005 -3.033 5.623 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 -1.657 -18.997 1.174 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 -1.004 2.468 -1.499 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 -4.991 -4.602 -2.028 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 -6.520 10.706 -2.564 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 -1.213 0.322 -2.097 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 -14.660 18.641 -11.106 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 20.746 3.857 -8.981 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 4.107 -5.289 -2.760 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 4.588 -4.446 -3.208 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 2.315 -8.730 -2.270 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 1.503 4.135 4.384 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 0.821 7.048 10.284 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 -29.063 -17.752 15.322 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 1.542 -1.002 0.004 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 3.209 -0.209 5.007 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 2.417 5.912 -14.291 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 -3.441 2.092 1.325 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 -2.434 0.669 -1.435 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 -7.991 11.775 22.601 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 -1.742 -0.758 -0.069 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 0.631 6.269 -13.347 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 -9.904 15.399 -33.772 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 2.606 3.885 5.788 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 2.175 2.491 2.056 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 24.115 27.995 -20.637 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 5.756 -1.610 6.095 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 -4.830 -18.082 -9.363 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 12.750 21.528 9.152 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 4.351 -0.968 3.666 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 -27.645 -13.462 18.420 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 12.161 35.020 15.533 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 -2.369 -4.925 -1.232 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 4.617 -15.380 23.324 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 20.329 -3.673 17.398 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 -1.796 -5.486 -1.780 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 0.002 3.897 -5.807 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 1.870 6.560 -10.390 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 7.469 3.786 0.037 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 1.466 7.760 6.097 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 18.447 24.663 -0.859 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 -2.419 3.508 7.579 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 3.693 -2.323 3.059 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 7.345 -4.301 9.193 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 -8.313 -4.070 5.019 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 17.745 -25.856 -3.559 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 -5.900 17.124 -2.578 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 2.832 -8.351 -0.711 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 15.813 -8.729 -8.606 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 3.780 -9.301 8.737 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 -8.814 -2.900 -5.652 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 -6.550 1.830 13.016 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 7.847 2.572 -5.643 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 -0.128 -7.033 -4.015 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 -5.512 -20.219 15.868 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 14.789 -1.259 -13.043 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 -7.101 1.876 7.592 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 11.161 -21.208 -6.558 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 5.423 0.312 13.177 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 0.360 -0.661 -3.652 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 0.621 -2.960 -4.877 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 -13.528 11.153 6.253 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 3.244 3.134 1.676 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 -2.178 13.975 -9.708 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 -1.360 13.331 12.850 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 3.940 -6.089 4.338 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 0.709 -3.345 -5.918 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 3.614 -19.085 8.954 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 -5.099 4.030 -8.746 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 9.962 -13.475 -7.097 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 -16.232 3.724 -13.076 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 -0.374 -0.563 -9.025 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 -10.271 16.212 -10.291 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 7.499 0.266 -4.179 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 -2.471 2.488 -3.478 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 9.652 15.729 0.559 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 9.227 -28.092 1.844 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 3.138 -5.477 -0.089 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 -25.771 -0.832 -6.131 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 13.472 -1.200 -1.864 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 -2.937 1.720 -4.699 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 0.872 16.494 3.670 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 -23.015 -27.499 13.055 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 2.616 -6.537 -6.778 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 -16.232 10.549 -1.484 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 10.533 -8.277 11.102 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 -2.132 2.018 0.862 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 -15.633 -16.753 29.601 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 12.208 6.505 29.176 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 2.289 -2.403 4.294 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 13.032 5.688 9.521 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 -18.349 -10.036 2.286 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 -0.972 -3.662 2.502 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 14.511 -2.490 5.345 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 6.080 0.551 -6.356 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 -3.570 -2.133 5.968 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 7.041 1.893 -3.662 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 -4.449 8.191 4.570 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 5.322 4.656 5.254 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 -1.715 8.837 14.062 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 8.331 -1.473 2.039 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 -0.656 -0.900 3.814 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 -13.916 10.363 11.418 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 6.621 -0.940 1.342 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 -0.105 0.966 3.122 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 -17.441 -2.662 7.573 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 0.818 17.051 2.775 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 4.233 -0.284 -4.831 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 -1.084 2.645 12.606 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 -0.549 4.071 1.587 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 2.763 1.270 -4.781 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 -8.327 -27.849 -17.749 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 12.548 3.865 -41.745 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 -11.545 -0.932 6.203 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 -7.500 -3.240 8.521 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 -13.804 -5.016 3.945 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 0.132 -5.828 -0.358 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 -5.914 11.883 5.249 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 4.732 -19.216 -5.786 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 0.239 0.244 -1.628 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 -7.420 -17.108 23.804 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 -12.933 -9.029 -18.025 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 0.684 3.609 -1.786 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 -9.734 0.608 4.785 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 3.583 -1.273 4.669 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 5.936 -5.482 -5.923 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 2.418 25.094 -11.842 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 10.873 -24.074 12.018 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 -3.655 -3.480 -0.242 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 -2.046 14.345 -0.741 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 -8.749 -21.170 -0.631 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 -1.213 3.817 -0.842 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 -10.391 -2.946 -3.092 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 -1.942 -12.005 -5.310 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 1.809 3.954 -4.224 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 -4.183 -13.505 -13.199 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 27.453 7.716 -14.213 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 5.754 -4.906 -1.601 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 7.410 -4.227 -2.892 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 -10.830 16.132 11.324 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 -2.213 2.165 -5.430 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 -5.154 -8.648 -1.536 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 -4.873 -4.261 -1.379 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 -2.617 -4.739 -0.816 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 -2.180 12.153 -6.338 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 -6.037 -12.204 -12.090 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 -2.145 -3.819 4.418 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 -20.048 -9.829 -7.464 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 15.555 -1.943 12.759 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 7.035 3.466 -3.920 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 19.000 6.270 -0.108 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 -31.876 -5.491 -20.451 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 -2.645 -4.442 -0.754 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 -10.684 -13.845 -4.779 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 -19.180 -1.600 -8.864 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 0.137 4.359 -2.869 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 -17.238 5.612 -20.453 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 11.947 -2.324 12.130 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 2.667 1.400 -5.755 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 -0.985 1.297 -1.634 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 -13.098 -0.560 -14.868 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 -4.771 1.033 1.449 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 -9.376 -9.898 16.539 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 -2.328 5.059 5.154 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 -1.666 -1.675 5.188 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 -8.523 18.969 30.227 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 15.520 -12.354 17.229 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 5.828 0.687 5.367 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 5.741 -2.806 0.575 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 0.524 0.971 4.164 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 -3.757 -0.952 2.190 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 -3.332 -4.778 -5.245 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 -18.107 24.898 13.734 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 -0.977 7.328 -5.397 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 -8.227 26.852 -8.997 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 10.929 -7.683 -3.271 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 2.679 -1.570 1.863 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 -3.817 17.136 8.075 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 1.469 -13.079 18.801 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 2.946 -1.719 -1.045 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 12.622 -18.241 -5.998 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 -12.473 -1.280 -12.499 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 4.490 5.808 -3.198 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 -1.656 0.919 -16.579 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 4.126 6.637 0.667 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 2.075 -4.866 -4.935 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 2.477 -4.909 -6.217 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 8.877 2.712 -21.583 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 6.058 -6.890 6.930 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 -20.470 11.141 13.052 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 18.890 -3.540 -10.110 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 1.301 -2.838 3.021 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 -5.095 18.336 -7.346 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 25.210 -9.619 2.843 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 1.379 -5.205 -2.454 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 1.915 -5.590 -1.951 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 7.390 -11.897 9.965 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 2.907 1.347 -0.858 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 1.131 -7.044 4.047 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 5.190 -4.338 -0.943 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 2.835 1.095 -6.733 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 1.409 -15.937 -9.815 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 1.596 -8.628 -10.000 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 1.286 1.321 -3.808 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 0.427 5.800 -1.393 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 8.563 6.219 1.321 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 -3.533 -3.023 6.721 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 13.650 -16.217 13.564 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 -5.756 -1.859 -8.474 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 -2.318 -0.770 -2.103 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 -26.498 -7.411 0.869 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 5.320 -4.638 -20.586 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 -3.076 -3.147 -0.669 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 -10.059 -10.078 2.687 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 0.374 -5.480 5.494 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 -0.278 -1.190 -1.763 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 10.557 -12.487 -4.582 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 -17.323 -3.522 -2.565 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 -0.014 -4.084 -2.248 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 4.579 -0.074 -5.118 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 -2.859 1.104 -27.786 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 0.250 -1.954 6.967 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 -18.792 -17.487 11.234 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 5.710 -7.166 2.217 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 -4.415 -4.233 2.271 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 -1.195 -2.696 1.633 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 -4.801 -1.314 3.538 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 0.434 -4.359 1.761 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 9.366 1.307 -13.282 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 11.292 -9.367 -6.294 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 -4.246 2.350 -5.161 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 31.017 1.800 12.940 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 -2.194 -1.241 -3.216 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 3.415 -3.969 1.778 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 1.706 -6.998 0.841 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 -19.602 5.015 10.284 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 -1.547 -0.601 4.585 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 11.140 21.606 -4.926 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 -7.069 -16.401 12.462 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 -0.557 -0.626 -2.613 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 1.037 42.225 -8.481 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 -5.426 13.410 -6.374 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 -6.701 1.165 3.507 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 -10.119 0.061 14.772 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 0.071 10.032 2.559 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 -6.355 6.754 2.177 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 -12.228 0.885 21.757 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 -8.519 3.981 9.499 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 -2.618 1.010 3.216 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 -7.137 -0.617 14.446 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 3.748 9.781 3.952 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 8.568 0.871 3.339 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 8.139 -21.406 -2.623 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 8.071 11.810 10.695 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 1.289 0.870 -3.275 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 -2.320 18.349 5.271 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 2.111 18.462 -29.221 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 -0.375 5.103 -1.050 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 -14.790 -8.061 -4.483 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 -4.544 -0.522 14.398 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 0.435 2.749 3.152 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 -2.148 9.540 -21.896 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 -0.601 3.086 1.459 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 2.077 -4.788 6.073 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 20.634 24.777 13.237 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 -2.701 -11.547 4.434 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 -4.077 -0.971 -0.042 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 -13.907 -3.636 1.447 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 -1.779 -2.143 8.778 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 -2.592 -0.282 6.671 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 -23.367 -20.978 2.727 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 3.085 -11.305 -8.281 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 9.948 -5.024 -5.594 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 10.832 -1.187 -10.415 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 12.758 -2.940 -15.647 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 1.900 -4.870 -3.782 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 -5.734 -0.063 -6.433 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 11.558 -24.865 16.182 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 -1.597 5.867 -3.111 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 5.274 -4.437 2.158 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 -7.106 10.604 -1.730 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 -0.219 -1.953 6.863 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 -15.385 11.240 -0.709 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 29.956 -0.684 1.896 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 -0.920 0.015 3.918 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 -1.868 7.674 -0.567 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 -0.950 -4.267 -0.007 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 -4.405 2.752 5.078 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 -5.109 12.154 6.254 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 13.083 9.196 -2.009 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 -4.797 -1.019 2.061 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 2.583 -21.752 2.109 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 -13.274 13.659 -8.899 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 6.685 4.686 3.156 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 -2.926 -1.999 -15.466 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 9.539 6.877 8.863 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 -0.175 0.602 -3.495 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 2.038 13.552 11.122 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 4.174 24.997 9.126 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 -2.696 1.565 0.484 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 -6.904 2.625 4.982 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 -14.149 -6.635 -5.210 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 0.029 -6.314 -0.814 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 10.349 -27.173 0.330 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 -4.284 3.873 -4.843 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 0.332 -2.313 -6.160 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 -4.603 17.759 10.257 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 -8.051 7.386 -21.263 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 8.827 -0.254 4.467 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 -2.584 -9.336 16.012 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 -0.053 9.357 -5.618 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 3.720 0.323 0.654 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 11.351 12.057 3.082 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 12.580 -9.992 1.686 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 -3.161 4.483 -2.626 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 -0.245 6.094 -2.423 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 -0.870 -6.223 2.320 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 -1.279 -2.553 -0.470 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 -1.935 4.626 -2.579 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 8.078 -17.095 3.782 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 8.112 -0.181 1.821 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 -5.703 5.856 13.775 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 19.815 -7.683 11.855 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 3.713 -0.935 -1.012 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 3.614 0.538 -7.908 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 26.177 -3.278 -6.932 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 0.153 -3.597 -2.475 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 -5.071 -4.379 -6.501 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 14.070 -7.307 1.291 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 -5.710 1.126 -1.492 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 3.202 -5.487 -2.052 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 3.113 -1.891 -7.355 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 -0.779 1.905 -2.060 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 7.565 -12.891 0.189 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 7.422 10.918 -1.708 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 8.697 0.292 0.199 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 6.897 -3.349 13.121 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 5.586 -4.062 6.225 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 4.373 8.333 -4.843 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 26.301 -8.304 5.975 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 2.513 -15.131 20.925 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 -2.452 0.256 2.195 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 -10.784 3.603 5.232 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 0.406 -2.029 11.860 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 -6.314 -2.059 -5.646 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 -21.395 2.005 -10.942 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 3.935 0.999 -16.281 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 2.188 -6.837 1.777 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 22.556 -1.093 5.396 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 3.144 -28.899 -2.177 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 3.055 -1.447 2.040 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 -5.056 5.736 2.328 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 -19.489 1.535 -6.832 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 0.911 -5.184 -3.488 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 -13.457 -11.061 -5.133 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 7.645 12.016 -6.695 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 1.953 -3.156 -2.376 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 -15.475 13.703 11.399 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 8.127 -19.415 -16.009 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 3.431 1.944 -1.452 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 9.555 -5.178 -7.541 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 7.631 3.949 8.252 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 -5.548 1.947 -3.785 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 5.929 -11.119 -0.287 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 9.198 20.013 -9.173 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 1.073 4.911 -3.757 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 -6.275 17.096 5.161 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 0.947 -10.257 -10.041 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 0.886 -2.195 -1.489 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 -5.423 -5.010 2.130 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 -17.922 -10.798 18.253 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 0.192 4.473 1.482 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 -7.278 1.073 -12.334 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 19.325 6.069 5.743 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 1.076 -1.758 -1.043 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 -8.758 6.143 -21.597 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 -0.276 8.824 -18.304 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 -2.594 5.702 3.344 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 5.773 26.045 -10.468 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 -11.638 -11.328 -13.625 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 0.539 3.335 3.389 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 7.642 0.237 -3.978 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 14.460 0.214 -2.513 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 2.156 -1.538 1.512 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 -9.015 21.930 6.161 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 6.654 -17.721 6.813 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 3.815 -3.394 -8.858 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 -3.208 -27.425 3.355 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 9.525 19.733 -7.691 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 -0.285 -0.043 8.361 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 -9.352 -7.016 6.897 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 -17.463 -14.069 1.834 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 0.654 2.703 -5.207 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 1.050 0.445 1.376 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 3.131 -6.028 -14.852 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 2.458 6.418 1.615 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 1.511 4.089 16.162 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 -9.630 2.939 -5.976 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 -5.748 -2.481 3.373 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 -2.769 -5.289 7.505 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 -7.769 3.711 -5.756 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 -5.330 0.570 -1.528 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 -22.770 7.960 -10.804 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 -16.130 -17.533 -1.257 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 0.977 4.112 -0.382 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 -14.820 23.444 8.351 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 -26.137 -8.763 -3.651 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 4.956 -5.350 4.006 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 -9.332 6.797 -1.755 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 4.304 -17.750 2.509 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 -5.125 0.690 -0.229 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 0.756 -8.073 6.765 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 3.293 -16.912 -4.871 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 3.144 1.599 -0.803 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -8.185 6.807 -3.195 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 5.270 -19.312 -12.212 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 -3.486 -7.840 -2.026 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 -16.983 9.045 5.565 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 6.706 -0.222 13.769 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 -1.453 -1.268 0.354 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 -10.025 0.046 -1.286 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 8.328 -6.591 5.391 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 -4.053 5.388 5.836 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 -11.207 -2.245 -0.250 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 2.019 14.430 11.838 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 -0.726 -5.620 -4.440 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 -2.414 -15.666 -6.705 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 -5.145 -6.380 -5.346 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 0.997 1.599 0.156 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 -7.908 -1.698 14.238 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 -12.156 2.040 -26.228 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 -5.503 1.746 2.201 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 -1.413 -2.559 1.669 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 0.328 -34.748 -8.107 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 -2.408 -1.108 -4.477 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 9.486 2.967 -12.995 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 -11.521 11.557 -4.199 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 0.337 5.496 -0.936 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 5.386 3.594 16.612 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 2.592 3.072 9.554 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 1.657 4.257 4.813 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 -12.087 24.871 15.035 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 -2.365 19.871 -7.314 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 -8.447 0.873 8.023 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 -13.566 4.710 4.032 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 -6.807 -2.771 5.270 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 6.462 0.854 -1.154 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 5.901 3.532 -11.147 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 17.358 2.448 5.830 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 0.899 -0.849 1.432 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 -26.535 8.175 -11.691 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 11.953 21.931 18.764 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 1.388 0.758 -1.739 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 12.509 4.389 18.375 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 -15.083 24.617 39.226 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 8.952 -4.178 4.850 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 -1.060 3.566 3.491 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 13.884 -6.905 9.262 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 2.194 0.328 10.893 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 11.656 9.727 9.340 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 4.331 -7.763 -2.012 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 3.046 1.284 -2.098 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 -6.065 1.299 -11.423 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 7.857 7.230 -0.539 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 -3.531 0.431 -2.996 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 -3.279 -18.861 -6.391 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 0.957 19.010 -9.022 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 4.917 -8.331 2.929 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 6.867 11.973 -16.147 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 -9.724 -8.392 -1.360 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 4.420 1.660 -2.027 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 -2.015 7.755 6.285 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 6.407 -0.144 -24.199 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 1.341 -1.652 -9.138 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 14.592 -9.227 -14.548 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 8.412 -8.721 2.222 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 -2.426 7.719 -3.063 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 -7.490 4.818 -13.353 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 1.567 4.011 -2.787 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 -0.235 6.586 -2.241 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 8.530 17.477 18.414 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 -13.813 1.651 7.878 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 -4.401 -4.283 4.666 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 3.419 -7.025 -9.638 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 8.227 8.838 16.945 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 -3.627 -6.172 -6.982 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 -13.742 4.690 -17.226 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 19.734 1.777 -5.707 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 -6.901 3.255 0.015 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 -3.297 5.442 1.445 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 -5.776 -1.745 3.201 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 5.125 -2.567 -3.710 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 4.223 -17.730 9.013 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 4.643 -0.534 15.477 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 7.194 -2.844 0.515 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 -9.839 6.111 9.843 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 10.398 -15.092 11.413 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 -4.008 3.218 1.737 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 11.935 13.954 4.357 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 1.918 -2.873 -20.553 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 2.009 3.286 0.208 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 -4.618 4.186 13.320 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 0.567 -0.912 -4.455 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 2.535 -6.646 -4.756 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 12.986 -4.117 3.968 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 2.092 -1.089 -3.859 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 0.183 4.419 -4.240 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 3.611 7.810 -4.481 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 -13.578 -9.893 14.957 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 -1.914 -6.527 0.683 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 -5.281 -9.639 -5.195 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 -2.507 -13.295 7.920 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 -3.685 -0.227 1.766 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 -5.623 -2.643 -0.046 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 2.734 15.516 11.980 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 1.387 -2.284 10.203 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 4.820 0.163 -11.749 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 5.986 0.873 3.379 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 0.741 1.475 0.181 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 -5.385 -15.653 -1.930 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 -10.080 -3.890 -2.183 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 -0.822 0.611 -10.928 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 12.137 3.954 -18.028 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 2.861 -12.186 -3.153 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 5.052 1.582 -1.209 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 -6.457 -4.773 -14.837 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 -1.478 5.499 0.330 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 6.681 -1.908 -1.259 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 -8.471 9.469 11.338 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 -7.794 18.206 -19.100 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 -1.611 -0.196 -5.789 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 5.246 -0.421 -8.994 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 -9.611 -1.470 -8.675 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 -0.190 -0.384 -2.107 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 0.285 -12.043 5.731 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 -8.286 10.549 -18.368 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 4.050 1.001 -6.309 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 5.177 -6.947 -7.717 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 5.414 8.567 9.060 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 -6.210 8.679 -4.632 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 3.101 10.197 -9.655 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 -0.227 9.675 1.707 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 4.543 4.142 -0.855 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 7.481 5.533 -1.724 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 -11.733 -0.200 -3.113 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 1.123 3.043 0.123 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 -17.671 30.927 6.079 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 29.334 21.561 -3.667 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 0.628 2.856 -4.434 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 5.117 31.973 1.798 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 -2.516 -24.021 -5.321 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 -4.656 -5.035 -0.486 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 -6.310 -5.304 -7.347 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 13.361 -19.369 1.980 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 0.971 5.586 5.088 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 -3.638 15.899 -6.682 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 1.241 3.923 9.859 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 -8.211 -2.498 9.657 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 -1.672 -14.724 20.734 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 -1.168 0.055 9.412 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 5.828 -3.730 -3.066 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -1.283 8.696 4.766 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 -14.250 -3.530 -1.852 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 4.670 9.432 -1.475 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 -6.812 3.031 -24.413 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 4.649 8.205 10.054 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 -2.492 -5.974 4.468 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 -6.749 -16.065 26.923 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 -3.975 -2.895 1.912 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 -7.603 0.570 -2.658 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 -6.532 -8.106 4.519 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 -4.065 7.567 -0.363 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 1.061 -2.198 3.992 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 -11.584 9.452 -5.776 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 -14.813 -11.452 -18.187 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 -1.785 -1.534 2.704 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 4.282 3.366 11.732 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 8.596 16.971 -2.014 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 5.084 -3.115 -4.756 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 12.488 -31.613 19.720 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 -10.279 35.167 -18.077 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 -1.725 1.250 -7.154 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 -7.745 4.962 15.963 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 -13.015 -11.773 40.755 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 2.102 3.330 -0.967 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 -14.727 11.016 -12.917 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 1.173 -11.325 -17.284 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 -4.718 3.581 0.175 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 4.611 6.667 -6.216 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 -10.562 -3.307 -5.952 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 1.120 4.465 2.683 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 -1.526 -2.679 2.456 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 16.472 -12.506 -16.259 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 5.272 -0.413 11.098 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 3.053 0.092 7.797 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 2.587 -2.321 5.604 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 -1.108 2.346 -6.008 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 15.509 6.982 -17.363 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 -25.679 -16.186 -3.718 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 2.548 -2.378 1.779 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 -3.617 12.064 7.707 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 7.782 -4.666 -8.885 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 2.245 5.144 1.858 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 -7.025 11.931 6.255 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 -5.948 6.321 7.398 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 9.141 2.125 -2.136 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 -11.106 22.049 15.241 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 0.490 39.493 -29.221 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 -2.803 2.811 -1.234 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 11.470 -10.947 -2.181 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 18.382 -0.852 1.909 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 2.855 3.384 5.233 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 -8.430 -1.795 8.485 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 -6.530 -13.384 7.667 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 -7.285 1.638 3.423 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 -5.553 -12.288 5.698 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 -11.966 -24.532 0.201 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 3.598 6.468 5.104 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 12.400 29.334 8.165 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 -23.275 -23.044 -4.823 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 1.177 2.603 5.485 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 -0.296 -3.325 -8.520 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 2.436 6.157 13.980 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 2.465 2.128 -4.203 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 12.599 -9.785 2.460 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 4.052 28.697 7.148 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 1.768 3.846 -0.688 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 7.772 -4.440 8.484 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 -9.678 20.027 -6.463 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 1.773 -5.193 6.071 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 -2.952 3.370 -10.865 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 -9.561 -0.476 17.759 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 1.454 5.057 -1.842 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 4.209 -11.616 0.816 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 11.057 -2.208 -1.400 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 -0.356 -0.735 -0.299 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 9.213 -14.688 -5.265 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 -4.320 -13.971 17.504 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 -0.835 -1.709 -6.746 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 3.272 -3.930 3.075 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 7.125 4.735 -14.951 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 2.660 -3.308 -3.088 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 -2.071 -13.040 5.281 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 8.591 3.730 -11.636 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 -0.307 6.109 0.139 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 -2.094 25.076 -5.561 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 -3.841 -21.222 7.556 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 3.597 1.880 0.934 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 25.283 8.187 -12.076 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 -1.275 -5.549 -24.354 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 1.090 1.020 8.196 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 -3.895 -9.745 -14.402 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 11.163 5.840 9.818 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 5.160 5.873 0.574 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 10.617 1.050 -3.755 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 -0.457 21.544 -10.167 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 -1.436 0.541 -0.852 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 14.653 3.915 -1.081 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 -2.132 9.371 -7.910 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 -6.289 -6.647 4.342 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 -3.806 12.629 -7.493 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 -3.948 -1.485 -8.979 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 0.948 1.845 -0.209 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 -6.089 -8.610 12.036 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 31.807 -4.392 -25.658 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 2.102 -2.839 -3.126 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 -10.622 -14.286 6.820 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 1.857 -3.484 17.976 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -3.302 -1.605 5.962 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 5.369 2.918 0.107 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 -8.297 -3.452 1.444 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 5.467 5.985 -1.750 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 6.852 13.123 1.305 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 5.856 -11.883 -19.678 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 3.358 -2.926 -1.289 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 20.021 25.227 -6.423 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 -7.637 -7.687 -1.904 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 5.986 -0.369 3.871 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 -5.208 -5.634 -7.110 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 -8.209 -12.587 6.064 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 0.927 -1.288 0.315 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 -7.578 2.724 -0.192 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 3.912 2.214 -13.119 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 4.040 1.223 -4.560 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 16.275 6.438 -10.185 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 47.012 -36.950 25.740 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 -5.540 -4.465 -1.988 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 4.540 10.095 -3.048 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 2.840 13.156 -13.544 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 2.241 -3.142 3.907 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 -4.665 -1.597 8.324 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 9.393 6.385 18.274 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 -1.834 3.409 0.339 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 4.745 3.484 -2.440 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 -2.847 -0.913 14.228 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 0.579 -0.908 3.343 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 -0.988 -5.339 -0.055 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 2.556 19.355 14.918 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 6.244 5.114 10.474 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -8.831 1.037 8.799 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 -4.850 3.588 -7.534 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 1.277 5.057 -2.900 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 -1.472 -0.146 -3.207 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 6.649 3.517 -0.415 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 3.434 -4.542 -3.493 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 -2.087 -10.722 -1.859 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 12.655 -6.495 1.408 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 3.842 1.302 3.977 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 -5.042 -1.641 5.943 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 22.287 10.526 -0.204 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 -5.837 2.517 -9.271 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 -14.513 8.989 2.690 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 -15.998 -5.217 14.396 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 4.863 -0.312 -1.120 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 -26.030 38.195 -4.014 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 -24.682 29.958 1.188 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 1.945 3.490 2.929 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 -22.157 -18.556 -12.163 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 5.385 13.405 31.570 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 -3.703 -0.791 0.292 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 3.316 -7.273 8.858 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 -28.948 -2.128 -0.788 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 -0.851 2.310 1.957 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 -3.158 8.543 1.873 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 -2.741 3.993 3.723 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 -0.984 1.013 4.927 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 11.740 9.754 12.788 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 -5.905 4.606 -7.238 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 -0.477 -0.129 -2.019 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 -5.632 -17.488 -12.263 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 -1.369 13.671 -16.564 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 -3.538 1.948 10.226 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 -5.697 -2.067 -6.490 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 16.367 -1.448 3.600 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 4.500 -2.663 -3.253 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 3.624 -2.909 -6.585 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 -9.475 0.020 1.506 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 1.534 1.684 4.062 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 11.174 7.182 11.341 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 7.406 0.819 -11.829 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 0.551 4.096 -2.853 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 -8.638 -11.041 6.709 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 12.275 5.427 -1.392 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 5.446 2.203 1.132 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 10.196 6.699 -0.890 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 3.995 3.303 1.354 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 2.155 -4.559 -0.655 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 1.213 -21.560 -16.859 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 0.232 -0.730 -13.335 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 0.635 -0.027 -0.191 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 -9.968 15.840 0.338 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 5.360 18.193 8.242 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 12.286 9.447 1.519 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 20.279 8.978 -6.371 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 14.255 18.429 -7.267 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 -0.937 -3.521 2.354 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 19.115 -2.934 9.538 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 9.617 3.322 10.500 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 -2.221 3.901 -2.408 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 -5.648 2.688 9.052 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 -0.059 10.473 -5.398 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 -1.080 -6.741 -4.022 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 -12.129 -0.881 -5.144 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 -3.793 -19.551 -11.512 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 -6.258 5.226 3.897 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 -8.427 -13.645 8.051 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 -10.281 7.217 -16.946 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 -0.962 -7.557 -2.974 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 -9.619 -2.437 0.735 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 -33.700 -3.851 3.557 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 2.465 0.801 1.170 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 12.265 -2.057 -4.311 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 -12.139 -3.106 4.897 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 -1.577 -1.547 7.881 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 -14.283 15.928 8.114 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 17.785 5.025 3.605 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 2.668 4.918 1.943 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 1.369 19.096 21.027 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 -13.310 11.957 -12.794 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 -0.019 -2.177 5.762 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 1.022 -0.200 4.940 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 5.768 7.750 0.019 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 -0.051 0.839 2.035 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 20.855 -0.828 4.279 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 14.364 18.569 -5.343 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 1.582 -5.087 2.030 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 2.486 1.592 -8.047 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 3.642 -3.364 -4.057 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 -0.962 0.567 -1.175 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 9.920 9.068 -4.534 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 25.565 -8.716 -2.436 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 3.598 2.463 1.212 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 19.906 -18.583 -12.848 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 13.594 27.130 -1.344 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 -5.023 -1.062 2.442 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 -9.159 -4.217 13.174 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 -6.185 3.821 5.170 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 -3.781 -3.515 -7.110 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 -10.717 4.356 -12.857 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 12.855 1.957 -15.131 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 -4.742 -1.242 2.037 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 -5.231 2.787 -14.218 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 4.400 -0.623 -14.745 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 5.761 3.517 -5.476 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 -15.257 -10.427 -9.697 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 21.053 -11.752 6.186 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 2.621 1.665 0.535 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 22.865 -16.725 3.231 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 -7.435 -22.331 -7.264 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 -0.059 -2.364 7.324 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 -2.194 11.733 18.022 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 0.159 1.248 12.381 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 -0.371 -0.160 -3.030 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 -18.243 25.060 9.879 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 -2.509 -5.202 -16.882 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 1.846 -0.399 -0.848 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 -10.679 0.653 1.270 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 -4.911 3.228 -1.349 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 -5.784 2.583 -3.484 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 4.321 -4.857 -1.258 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 -16.622 12.480 -8.788 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 -1.183 -5.369 4.138 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 -2.515 6.308 4.604 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 11.671 -5.813 2.936 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 1.752 1.123 6.412 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 -2.740 -15.936 1.215 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 9.582 33.904 21.910 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 -4.597 -0.635 -5.877 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 -9.622 2.605 10.548 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 -5.438 5.910 11.098 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 1.022 -5.089 -3.598 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 8.167 13.968 8.234 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 -3.188 -6.615 -0.799 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 3.260 1.104 11.052 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 -2.711 -20.948 9.669 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 -13.011 4.022 -0.686 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 -2.114 -0.670 -4.399 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 -5.931 5.400 6.048 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 -10.944 15.365 4.943 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 -3.506 -3.510 -2.119 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 2.952 -14.031 1.757 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 -1.799 24.344 -11.040 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 2.573 -0.350 4.234 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 -3.575 -7.161 -7.303 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 -8.797 -10.085 -14.599 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 8.306 -1.358 -1.907 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 4.985 -5.637 9.405 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 -0.015 -6.106 -3.357 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 7.832 1.962 -0.724 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 8.620 -15.462 18.460 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 -16.140 0.558 19.182 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 1.039 4.913 -1.781 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 22.835 -3.513 4.063 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 -9.664 0.595 -3.867 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 1.803 -3.926 -1.260 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 19.871 -14.525 27.541 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 11.064 -8.366 12.862 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 -2.226 -0.882 0.797 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 0.436 -0.660 -18.351 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 -2.932 -25.821 -4.380 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 -2.305 4.141 -5.662 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 -11.561 10.658 0.855 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 8.874 3.739 -1.695 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 1.189 3.359 2.645 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 3.955 -14.250 1.555 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 7.266 17.456 12.874 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 4.104 0.416 1.970 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 7.984 -6.310 1.077 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 6.984 7.757 0.720 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 -0.315 2.453 0.908 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 10.011 -0.340 18.158 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 -23.986 1.419 7.899 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 2.838 2.841 0.567 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 13.896 -0.435 -1.950 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 -11.828 -3.496 9.770 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 -1.774 2.967 3.539 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 -10.648 6.016 -12.830 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 6.585 -0.701 21.060 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 -2.395 -5.332 2.071 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 -3.137 -4.616 0.690 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 -17.979 -2.465 13.330 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 -6.901 -4.769 5.025 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 -16.183 -9.155 12.052 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 -21.304 -4.716 -0.523 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 6.430 -0.439 1.069 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 3.023 -7.646 -3.816 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 3.812 9.222 6.995 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 4.257 -2.214 -1.498 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 3.573 -3.711 0.581 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 -0.752 -2.817 21.153 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 2.606 -2.725 -5.365 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 9.436 -1.113 -5.316 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 -0.585 -4.498 -13.746 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 -5.699 1.808 4.805 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 -19.116 2.441 10.213 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 8.089 -4.755 -0.444 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 0.200 -2.138 2.822 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 -6.839 0.420 6.217 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 -0.652 -1.439 3.510 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 -3.222 -0.362 -2.646 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 4.983 7.912 -23.639 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 1.543 -11.888 6.216 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 -1.500 0.129 7.246 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 1.705 3.681 13.027 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 -6.133 -4.518 -0.367 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 2.061 -2.768 -4.621 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 -1.600 9.094 -9.178 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 -4.827 26.833 21.793 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 1.291 2.319 1.445 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 0.446 -10.596 -1.456 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 6.611 9.116 3.666 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 4.743 -3.350 0.574 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 6.360 -4.195 0.826 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 3.896 0.083 5.391 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 1.939 -5.696 0.111 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 3.969 0.078 5.810 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 8.327 -9.354 19.493 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 1.627 -8.597 4.715 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 6.618 -13.976 -11.425 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 0.919 -10.431 -1.799 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 4.213 -5.561 -1.845 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 10.904 -5.234 18.297 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 13.757 -18.354 2.931 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 0.197 -4.804 -1.834 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 8.026 12.314 -12.719 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 10.066 15.095 -13.084 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 -3.724 -0.087 -1.724 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 -0.138 10.301 3.458 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 4.331 35.982 3.838 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 -0.457 -2.533 0.272 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 13.415 15.704 -5.750 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 -4.767 10.216 23.533 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 -5.109 -5.637 0.491 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 5.178 -10.258 1.838 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 -18.847 4.743 -1.809 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 4.393 -2.003 3.398 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 6.633 -11.653 -7.484 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 2.599 2.235 6.680 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 0.698 0.234 6.140 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 5.591 1.619 5.374 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 23.637 9.849 3.134 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 -0.618 -2.504 -2.882 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 -1.136 -1.118 2.247 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 5.367 0.805 3.759 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 -0.795 1.301 -7.528 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 -3.580 -11.728 -6.330 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 4.330 3.598 6.289 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 -0.532 -0.199 -2.072 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 7.575 -5.460 -4.874 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 -4.806 5.844 -3.053 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 4.340 6.292 3.505 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 11.169 0.801 5.219 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 -5.333 3.202 8.054 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 -0.739 1.511 -5.668 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 18.920 -18.831 -28.785 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 -15.338 23.458 15.882 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 8.155 -1.645 6.456 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 10.157 -3.107 12.186 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 7.788 7.609 9.221 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 -1.377 3.086 -0.482 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 -1.173 2.244 1.333 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 0.216 12.110 -17.383 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 0.438 -1.852 -4.782 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 -6.350 -1.754 1.940 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 -3.817 6.078 -8.982 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 4.097 -1.546 -0.195 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 22.271 -4.389 -0.437 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 -16.771 -0.045 -5.887 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 -1.170 -1.029 8.196 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 4.862 -6.364 6.050 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 -5.998 -1.973 12.085 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 1.677 -2.941 7.777 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 10.021 -8.145 -1.986 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 -10.226 -5.236 8.182 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 3.383 -0.985 1.906 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 20.202 -3.741 6.411 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 3.518 14.154 5.039 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 -1.345 2.666 2.199 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 6.338 0.183 -2.641 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 -11.951 -0.332 -1.568 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 2.961 0.498 -0.650 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 6.178 6.803 -8.604 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 1.139 11.126 -8.564 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 -3.113 -4.347 -6.545 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 -11.326 -8.099 -3.233 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 -14.156 -20.013 -2.220 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 -3.890 -2.581 8.808 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 0.360 -1.066 8.700 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 -8.912 2.684 2.736 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 -5.049 -2.030 -0.494 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 -6.516 -11.776 -6.540 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 4.456 -3.558 1.841 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 -0.585 7.467 0.349 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 10.082 7.695 5.008 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 0.874 7.843 -0.706 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 5.186 6.662 -5.266 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 6.636 7.501 -12.034 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 6.495 6.747 -5.181 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 2.822 2.964 3.569 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 16.470 -5.019 -1.978 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 -8.162 -10.477 0.632 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 6.937 -6.437 -1.054 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 2.978 11.441 -6.321 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 -2.918 -17.178 -12.331 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 -0.527 0.779 -0.653 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 15.005 -13.199 -1.340 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 -8.652 16.001 4.041 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 -2.327 -4.164 4.453 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 1.165 12.313 9.544 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 -10.299 11.960 13.701 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 1.760 -0.572 2.384 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 0.286 0.432 -3.531 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 10.560 -21.754 0.254 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 -8.450 -3.484 3.308 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 0.147 -1.951 4.504 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 8.201 -10.121 -10.921 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 2.620 -1.079 -3.524 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 7.537 -15.146 -3.291 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 -7.990 -9.383 -6.066 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 -0.415 -0.325 -1.268 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 0.969 2.720 -1.582 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 -9.793 -39.896 4.372 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 -7.510 0.804 0.453 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 3.591 -6.786 20.284 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 -12.674 1.977 -13.857 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 2.962 -3.738 -1.938 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 -0.868 26.353 -23.526 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 1.669 -16.863 0.073 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 -2.996 -2.464 -3.564 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 -10.840 -5.676 2.576 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 5.137 -4.750 0.019 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 0.217 -2.870 1.587 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 12.460 -13.121 -1.946 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 20.141 9.000 1.379 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 -3.197 3.796 1.363 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 -8.034 -6.191 16.447 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 23.928 15.962 -8.452 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 -4.880 -0.301 -6.113 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 -2.565 -15.934 -8.512 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 -4.678 3.630 10.133 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 0.574 -3.221 -4.108 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 -11.377 -2.631 -15.955 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 5.813 1.525 13.170 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 -3.867 0.863 5.849 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 25.761 -10.204 20.677 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 -24.101 5.656 -8.523 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 0.019 -9.590 6.001 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 7.578 6.339 -6.157 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 -3.459 -9.856 17.872 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 5.707 -0.399 0.426 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 -0.822 -1.039 2.190 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 18.438 1.836 -2.545 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 -3.577 -0.159 -0.720 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 -42.489 4.711 -3.593 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -10.997 4.174 2.338 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 -1.335 -8.106 4.883 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 -9.184 -21.548 -0.776 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 27.861 11.758 -6.392 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 -5.162 6.103 -1.222 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 12.738 -3.162 -9.910 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 6.429 6.214 -28.898 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 2.625 -1.832 -2.438 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 4.133 -10.313 -17.764 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 -13.795 -20.262 -2.788 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 -5.317 -2.646 -0.352 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 3.972 -3.763 0.118 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 8.850 5.715 -11.208 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 -0.866 1.086 -2.505 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 9.683 30.632 -9.573 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 2.276 11.231 -4.706 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 1.388 -5.064 1.014 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 -1.498 -6.959 3.700 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 -2.320 -2.527 1.602 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 8.097 -4.225 -2.342 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 10.884 -12.804 -31.773 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 8.087 -8.864 -16.703 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 -3.581 2.613 2.148 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 -7.388 8.202 2.716 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 11.934 -22.486 -1.372 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 2.788 -2.246 0.322 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 -4.126 11.083 -5.045 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 -5.364 14.289 -0.962 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 2.898 -0.575 -0.798 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 13.058 8.441 6.894 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 -12.042 -13.419 22.481 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 -2.723 3.943 -3.678 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 10.321 12.864 3.238 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 -16.206 4.710 -15.983 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 -0.985 -4.947 -3.824 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 1.879 5.441 -17.485 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 17.286 -4.530 -6.261 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 -0.141 5.098 -8.591 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 -6.763 -4.897 3.396 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 -10.774 -10.779 10.451 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 -4.888 5.725 -0.015 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 11.841 -28.555 21.162 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 -4.408 4.734 -0.115 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 2.453 0.444 -4.225 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 9.059 21.316 0.731 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 15.027 11.809 -12.500 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 -4.059 7.382 5.356 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 -5.607 -2.631 9.100 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 0.801 8.983 -18.028 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 4.403 -0.640 -0.174 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 -1.739 -5.978 26.473 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 -15.180 -17.448 -2.123 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 1.557 4.219 2.296 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 8.084 -12.431 4.952 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 -15.644 5.340 -1.499 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 4.545 0.740 -0.123 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 -6.714 0.692 10.076 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 9.040 -12.706 -17.480 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 5.520 -1.990 2.626 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 9.742 27.295 2.747 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 17.480 11.016 7.489 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 7.560 1.579 3.036 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 15.085 -9.958 -8.062 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 19.770 1.209 17.370 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 -1.521 3.426 -5.890 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 1.385 5.215 -4.929 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 0.422 4.827 -4.925 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 -6.222 -3.312 -2.213 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 0.663 13.611 -6.875 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 -9.437 3.578 22.307 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 -2.691 4.661 1.742 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 30.250 -5.278 10.642 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 -23.431 -16.144 5.454 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 -3.042 -4.155 -1.915 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 7.409 -19.975 12.145 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 -14.731 12.626 5.552 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 1.950 -1.352 1.891 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 9.226 -3.065 -4.222 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 -11.045 -20.565 -12.598 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 2.896 3.629 0.586 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 15.410 4.960 12.000 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 15.383 8.287 26.515 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 0.400 7.153 -4.405 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 12.388 2.434 -20.112 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 7.718 10.761 6.622 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 0.103 1.576 -1.177 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 -31.409 0.381 7.396 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 -13.227 -5.519 -7.385 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 8.661 5.650 -6.720 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 12.312 20.508 -4.400 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 8.166 -7.640 -8.075 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 -6.525 3.986 -2.378 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 -17.710 8.128 -1.507 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 -21.170 -16.619 -9.247 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 -2.295 -2.237 -1.313 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 6.485 -8.401 21.513 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 -12.137 19.654 -1.551 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 0.462 2.442 0.738 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 16.379 29.668 1.318 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 -10.799 -3.197 -12.041 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 -5.022 6.232 0.243 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 -4.985 11.667 9.185 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 19.077 24.294 8.269 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 -2.302 9.556 4.421 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 3.850 11.975 4.230 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 -2.585 6.282 -0.321 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 -0.864 -0.480 2.288 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 12.204 -9.795 37.062 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 -20.105 15.952 -25.858 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 3.024 5.164 -4.690 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 -13.729 8.201 -26.526 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 -10.013 4.626 18.297 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 1.152 4.193 4.803 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 4.132 -6.636 -0.299 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 0.367 3.023 -7.389 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 0.239 -1.374 0.271 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 6.524 -5.517 -10.256 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 -9.296 4.833 -6.199 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 8.169 2.321 -1.080 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 20.704 9.802 8.626 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 -14.103 -0.792 1.386 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 -4.713 0.981 -6.099 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 -20.595 -16.767 -2.203 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 -12.353 -8.015 -3.961 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 11.352 -0.332 -1.518 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 0.494 3.609 -22.636 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 14.785 -1.930 5.551 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 -0.829 -1.398 -4.048 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 -12.975 -6.590 5.461 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 2.000 7.313 -7.431 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 1.297 -1.591 3.206 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 11.569 12.892 0.376 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 4.077 11.237 22.151 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 -1.421 2.191 -1.874 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 -2.140 -10.349 -2.724 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -10.611 7.612 -4.809 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 3.623 4.140 -5.489 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 1.194 -5.024 -1.009 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 2.068 -6.413 -6.387 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 -1.056 -3.604 5.736 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 -6.776 -8.260 7.265 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 8.098 -16.440 14.287 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 -6.266 -2.847 0.630 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 8.853 29.314 31.219 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 -2.980 -2.446 -10.192 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 -2.064 -7.809 -2.148 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 26.618 -15.297 7.345 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 -18.797 -9.911 -14.252 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 3.674 0.750 -3.816 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 10.051 14.479 2.467 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 -1.399 1.957 -15.834 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 0.348 -3.668 -0.361 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 -13.536 -4.917 -6.827 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 -6.383 -26.922 9.789 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 -6.206 0.316 -4.128 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 -20.199 25.681 -7.425 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 10.970 15.665 11.985 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 0.853 6.804 -3.876 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 -1.652 -0.093 -1.668 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 9.005 7.444 -14.450 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 6.325 -0.356 7.731 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 2.511 10.084 13.291 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 15.041 -3.870 7.077 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 -3.725 0.810 -8.431 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 -22.390 -6.555 -3.871 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 -4.813 -15.373 -10.812 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 0.963 -1.871 8.052 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 9.727 -7.815 7.718 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 -6.564 -7.400 4.624 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 -3.734 -2.278 0.750 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 -4.405 -1.423 4.550 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 50.276 6.301 11.846 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 1.467 -10.515 -6.274 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 17.046 -8.656 4.449 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 -8.421 -3.498 -8.561 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 2.500 -0.947 4.795 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 2.372 -1.573 -0.028 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 7.902 0.384 -6.357 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 9.058 -0.381 -9.135 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 11.377 -1.896 -12.605 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 13.792 -19.551 -5.062 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 -2.192 0.707 3.003 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 -1.101 -0.920 1.972 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 -1.325 -14.115 7.972 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 3.194 -1.880 2.269 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 -4.585 -16.472 4.652 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 -3.272 -11.915 -6.149 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 6.084 -1.458 -4.440 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 3.558 1.764 -12.739 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 9.153 -17.081 -4.256 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 -4.624 -1.183 6.281 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 -6.411 -14.796 -2.682 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -19.877 3.815 9.005 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 -12.019 -3.194 4.348 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 -6.838 -3.840 5.792 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 -2.488 0.376 -12.105 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 3.643 2.006 -4.085 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 1.776 -0.160 -17.583 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 6.055 2.908 -2.228 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 -0.619 -0.347 0.645 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 -5.327 2.819 5.460 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 -2.934 4.271 -5.989 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 -4.613 2.774 4.657 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 -0.558 21.272 4.136 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 2.657 14.437 11.558 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 1.113 3.693 -1.795 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 -12.523 -0.680 4.703 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 7.045 1.587 13.505 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 3.340 2.907 -2.995 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 4.865 -4.243 -0.212 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 5.405 -1.716 -1.204 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 1.391 1.095 -4.023 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 5.913 -9.150 -11.581 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 -9.775 -4.653 3.497 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 -3.666 4.544 1.950 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 17.971 8.642 1.191 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 3.678 -1.195 15.272 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 -2.936 1.481 1.311 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 8.475 -1.083 15.425 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 -15.278 7.279 -4.555 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 4.130 -7.095 -0.137 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 2.723 7.503 -4.099 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 2.380 -8.572 3.378 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 -0.680 1.239 2.716 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 -11.529 -6.060 5.817 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 2.549 16.914 6.117 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 -0.088 -6.407 8.548 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 6.095 -1.555 5.641 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 -4.251 -9.555 10.362 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 1.527 -3.630 -4.554 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 -0.982 -0.235 5.903 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 4.379 2.994 -4.153 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 -3.085 -4.836 5.471 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 11.306 2.834 -5.472 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 0.409 6.648 -3.826 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 0.245 2.036 -2.845 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 5.725 -11.522 -1.492 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 -0.265 -2.997 19.085 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 -2.049 2.101 1.087 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 -4.356 2.074 -21.882 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 12.308 -2.187 -5.133 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 -3.483 -0.148 7.253 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 -2.399 12.406 8.748 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 -0.133 -2.204 -5.244 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 1.400 0.561 -2.448 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 0.560 -16.430 -7.172 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 12.892 -5.951 -10.888 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 3.001 -0.181 1.803 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 16.862 17.616 -8.106 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 -18.782 -2.525 -2.684 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 -9.037 -4.353 -5.751 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 -11.391 8.432 9.869 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 -7.539 -4.498 -5.212 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 -3.293 7.614 2.348 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 -9.033 3.448 0.037 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 -7.261 22.501 -5.341 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 -0.228 0.362 -3.509 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 -1.808 21.849 -10.278 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 -29.262 5.632 3.509 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 2.412 2.566 3.035 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 -5.013 -12.823 -10.089 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 1.531 -6.459 20.165 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 1.607 6.739 -1.157 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 -10.258 -15.743 -7.465 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 33.147 -23.401 2.675 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 1.863 -4.267 -5.184 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 -15.584 6.934 -23.980 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 -8.545 -11.763 8.568 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 2.102 1.091 6.592 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 -9.129 -14.216 4.933 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 3.602 -2.271 12.019 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 0.833 -0.428 -1.436 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 -8.037 -8.841 -25.743 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 16.189 5.836 8.097 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 5.339 3.580 4.636 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 11.263 -9.366 2.167 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 7.408 -16.235 -2.245 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 6.823 -1.347 1.368 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 7.573 6.177 9.171 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 4.250 5.778 -12.357 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 6.862 1.800 -2.195 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 -2.325 6.739 3.515 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 17.466 9.714 -1.960 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 -7.964 -6.747 5.443 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 -21.753 11.092 -1.334 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 7.351 27.490 0.158 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 1.825 3.165 1.553 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 -13.378 -6.965 10.869 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 9.838 -9.463 -3.451 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 1.952 -5.491 4.017 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 17.221 -15.522 14.088 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 5.110 -18.297 28.542 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 -0.575 9.907 -1.337 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 -19.852 14.213 25.943 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 -15.133 13.069 7.187 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 -1.868 0.519 -1.146 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 -1.869 1.660 -1.685 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 1.200 43.538 -13.867 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 -0.721 -0.780 -3.811 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 17.923 -8.102 8.966 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 3.358 1.266 -15.203 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -3.575 -4.152 -2.619 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 9.963 17.904 -12.573 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 6.684 0.619 25.120 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 -4.761 7.617 -5.316 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 -15.373 9.809 -17.436 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 -16.722 5.554 -26.180 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -5.212 -1.586 1.694 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 11.999 -28.163 -7.942 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 -8.676 4.470 7.632 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 1.252 4.641 5.238 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 4.044 1.058 -2.641 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 -14.302 0.927 11.182 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 6.173 6.021 2.959 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 -4.956 11.071 17.957 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 7.968 -13.666 4.203 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 2.339 -1.349 -0.985 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 7.233 1.509 -12.540 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 -4.387 -7.508 -1.045 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 -4.674 1.019 -2.306 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 -10.256 -12.149 -3.050 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 -9.278 -9.983 -3.219 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 -4.641 7.800 3.863 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 -1.429 -2.346 22.216 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 -10.991 -15.158 16.704 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 4.232 5.016 3.943 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 -0.420 11.821 15.713 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 21.737 21.558 -4.864 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 -0.257 -0.121 1.817 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 -4.584 -7.947 7.883 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 8.527 -1.508 5.439 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 3.429 -5.009 -0.281 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 13.885 -21.342 10.130 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 8.717 -20.113 -9.199 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 -2.570 -3.221 3.661 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 36.568 10.334 -5.273 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 3.778 -16.443 3.896 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 0.808 5.022 2.987 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 2.900 2.268 -25.568 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 24.064 8.726 12.825 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 -1.308 4.410 0.681 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 -0.972 -19.781 -0.900 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 -17.857 6.418 -16.610 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 3.628 4.766 -1.181 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 -37.630 -5.142 27.869 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 -14.299 -9.040 -7.901 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 -1.369 2.104 -7.151 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 -8.206 -4.928 -6.234 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 -10.785 3.071 -15.987 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 8.082 0.485 -6.273 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 9.383 -10.645 -1.809 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 0.028 5.025 1.512 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 -3.398 3.847 3.386 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 16.835 6.578 -11.599 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 10.299 11.646 8.054 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 -1.196 8.045 2.494 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 5.809 10.283 -18.266 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 -23.000 3.644 15.236 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 -3.597 3.539 -3.182 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 -15.926 -14.242 -6.967 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 8.539 0.428 13.172 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 -0.403 5.883 3.518 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 -2.208 7.428 4.129 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 12.835 -2.678 -10.670 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 0.892 3.392 -5.255 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 9.953 1.445 -5.313 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 7.682 -5.740 0.201 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 2.091 0.410 -8.379 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 5.511 29.405 18.744 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 -0.767 11.683 0.042 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 -1.818 7.595 4.211 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 -3.149 12.126 -7.596 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 1.589 7.252 -14.603 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 2.632 1.553 3.186 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 4.465 3.702 -21.185 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 1.709 31.955 3.608 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 -2.404 -2.090 7.862 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 -2.134 15.934 -17.303 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 16.305 -2.810 2.425 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 5.033 -5.201 5.294 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 8.498 2.802 0.341 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 2.316 -18.786 1.544 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 -1.460 0.372 0.587 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 -0.578 -0.728 2.168 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 -0.053 -5.760 8.865 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 1.103 7.293 -5.198 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 -27.633 6.323 -11.712 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 6.675 35.135 -0.390 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 -2.775 -3.345 -4.208 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 11.071 0.912 -11.126 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 -6.629 -29.526 15.910 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 5.073 7.225 0.351 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 -4.930 12.273 -12.892 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 -19.676 6.595 -13.424 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 -3.864 0.417 -2.826 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 -7.120 -2.053 -7.131 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 -9.766 -3.458 -12.084 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 -5.102 6.910 1.145 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 -5.549 7.494 -16.128 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 5.977 -3.865 2.827 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 3.742 -0.931 7.648 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 -2.803 -6.752 4.314 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 -5.180 -7.860 3.157 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 4.532 2.096 -0.425 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 9.006 6.976 -5.392 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 17.931 -5.601 -3.115 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 -2.117 -4.067 3.479 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 14.029 14.743 -1.927 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 4.146 -22.551 -21.040 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 3.625 1.146 4.324 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 5.833 15.545 6.402 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 -12.217 18.914 -8.257 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -2.368 -0.398 0.525 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 8.509 20.053 3.056 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 -10.964 -14.704 -2.208 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 -4.970 -5.998 2.570 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 -0.926 -11.068 9.061 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 -1.101 -8.039 -4.273 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 2.566 -0.968 -2.759 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 -2.360 -6.208 -15.744 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 1.991 4.212 8.722 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 -2.062 2.133 2.557 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 6.807 -11.559 8.316 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 7.269 20.873 5.134 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 0.068 -0.101 8.949 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 -11.234 -8.054 -0.103 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 20.174 4.328 37.856 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 -4.455 3.538 -1.956 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 4.588 -7.186 -20.057 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 9.243 -5.179 31.744 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 1.268 -1.474 -0.658 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 5.465 -1.261 -1.955 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 4.392 -1.315 -4.620 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 -2.854 4.360 3.971 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 1.277 5.944 -0.288 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 7.152 6.908 -2.164 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 -7.186 3.177 1.387 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 -25.140 -6.909 -17.653 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 2.546 10.426 4.137 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 -1.693 -3.592 -4.108 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 -4.873 -2.358 -3.899 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 -7.523 -1.378 13.940 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 0.699 3.194 3.327 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 -1.835 -2.617 4.209 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 -6.250 -0.287 -1.157 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 0.274 -6.234 7.795 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 -11.758 4.168 8.669 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 -13.899 30.960 -15.168 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 -3.159 2.168 8.445 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 19.607 -2.133 3.719 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 -4.900 -18.794 20.474 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 -5.012 1.348 -1.465 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 -9.697 16.635 29.177 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 -27.300 -5.404 20.023 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 3.932 -4.594 2.284 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 11.066 18.822 -22.451 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 -33.948 12.601 -3.564 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 0.603 -1.435 4.687 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 -12.968 7.547 -2.264 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 5.760 -23.822 -1.238 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 -1.034 -4.131 -2.774 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 -4.871 1.278 -0.257 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 7.396 2.796 8.785 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 -6.672 1.407 -8.217 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 -18.017 5.247 12.013 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 17.940 -2.035 -14.195 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 1.633 -0.482 6.518 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 36.236 -15.600 6.353 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 1.110 2.627 -3.773 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 -3.225 -1.177 -1.186 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 13.441 -8.598 22.872 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 7.530 2.610 21.258 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 2.172 -2.182 -3.999 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 -1.150 8.170 -31.658 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 -22.538 4.940 9.529 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 -0.688 0.195 -0.836 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 -17.417 -23.983 15.193 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 -2.674 -5.606 3.372 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 0.272 -9.241 -2.642 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 -4.611 21.226 2.585 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 7.290 9.901 2.753 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 -3.759 -0.060 -1.239 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 -1.275 1.322 1.669 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 -20.672 -6.760 -1.258 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 -0.966 8.489 -1.712 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 8.326 -17.270 6.760 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 17.624 47.765 17.472 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -4.489 -1.507 -0.929 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 -25.381 -1.179 -12.267 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 -14.308 9.208 7.444 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 2.640 1.520 -1.763 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 3.224 3.157 12.801 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 -10.272 7.428 -8.325 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 -0.871 7.565 2.682 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 -4.138 -3.956 16.545 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 -18.994 11.391 7.614 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 -5.091 0.768 -0.919 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 -3.368 10.639 -1.723 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 -11.371 3.834 15.190 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 3.397 0.544 -5.820 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 -1.987 -3.003 5.285 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 15.688 0.951 10.506 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 -6.276 -0.926 -3.207 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 -12.933 -10.439 9.551 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 -23.571 21.815 -4.795 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 1.162 -2.859 -0.427 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 2.454 12.586 -8.246 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 -6.321 -1.237 4.816 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 1.103 -2.103 0.804 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 16.499 5.181 6.591 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 0.941 -3.179 0.033 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 5.934 -0.452 -4.786 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 -9.396 9.292 11.704 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 -2.374 23.055 -16.179 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 4.709 -2.068 -7.374 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 -24.450 21.618 -11.255 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 12.085 -7.277 0.032 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 -0.734 4.585 -9.259 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 -17.574 11.314 -3.794 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 3.977 -1.916 -5.732 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 -4.859 -8.065 -1.873 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 -7.116 17.176 -10.649 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 -11.677 -8.787 -0.520 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 -3.294 1.034 -3.304 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 -15.472 -16.495 3.013 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 2.089 4.960 -3.212 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 6.529 -3.948 6.407 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 0.425 3.641 0.093 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 20.654 -8.908 0.547 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 2.511 -0.587 0.301 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 6.404 11.151 0.923 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 2.482 -4.717 3.928 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 -7.793 -1.591 -2.459 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 2.480 -13.376 0.378 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 -7.705 7.889 8.569 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 0.401 -1.369 5.895 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 1.410 7.573 20.438 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 9.001 -2.670 11.040 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 -0.516 6.389 1.626 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 16.179 -19.481 -9.719 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 13.800 12.753 8.983 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 -4.167 4.767 -1.816 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 -1.064 -4.966 3.845 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 -1.277 -5.808 12.976 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 0.314 2.630 -2.760 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 -18.101 -9.416 -3.504 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 1.299 -8.817 7.012 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 -1.744 4.260 -4.780 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -2.731 -17.954 -10.343 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 8.254 9.666 2.405 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 -1.766 4.717 -0.139 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 -7.015 0.983 19.867 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 -12.268 -9.768 -9.910 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 -1.914 0.702 -1.145 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 -25.890 12.208 -10.214 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 0.648 -34.356 -2.933 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 0.124 2.494 2.523 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 2.017 3.801 5.024 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 11.869 -4.605 -11.331 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 2.092 -0.455 -1.500 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 -1.576 12.276 -6.375 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 -9.938 -8.160 -3.480 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 6.572 1.539 2.052 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 -0.622 7.659 10.169 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 2.499 11.345 -7.329 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 6.313 2.585 -1.497 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 -1.265 4.255 -5.901 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 6.060 13.162 -2.732 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 3.113 -3.767 3.523 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 16.017 -34.025 -8.439 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 -16.261 13.613 -28.848 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 6.857 3.580 -1.331 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 6.864 -13.947 -9.750 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 -3.632 -16.942 8.513 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 -1.056 4.445 -9.661 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 18.661 -12.780 5.674 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 4.990 -15.569 0.716 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 -0.547 -4.232 -1.745 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 -4.590 1.051 -0.967 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 -23.706 31.865 12.403 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 3.108 -1.605 0.453 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 12.538 5.517 -19.932 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 -8.472 -9.520 -7.746 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 3.189 2.391 -7.917 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 6.529 6.997 3.419 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 0.139 -2.604 -20.717 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 -4.530 -0.683 -2.102 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 2.677 18.777 -36.092 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 30.611 -15.221 8.451 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 0.227 -1.259 -1.035 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 -18.093 -18.613 14.289 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 -14.169 2.043 -1.326 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 1.859 0.738 -5.095 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 7.156 27.141 -8.115 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 -6.723 -11.040 13.623 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 -0.841 -11.800 4.475 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 0.120 -4.850 0.837 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 -2.179 6.310 -5.193 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 -0.666 -1.397 0.830 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 6.393 -0.032 7.549 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 32.081 -8.208 -0.586 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 6.126 2.771 -6.282 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 3.721 5.680 29.713 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 -3.865 -0.138 -45.245 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 -3.246 -2.957 -2.356 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 -2.562 -5.217 0.462 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 0.040 -0.933 -0.537 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 1.631 -1.078 2.524 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 18.060 21.660 3.429 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 13.573 -18.295 -16.957 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 4.799 -0.490 -3.793 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 -5.717 7.106 12.123 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 -11.566 11.334 19.965 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 -2.760 2.043 -2.213 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 -12.629 3.632 -2.175 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 13.588 0.130 -11.410 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 4.746 0.327 -2.235 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 9.675 -6.441 0.422 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 4.412 -0.500 -1.222 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 3.621 3.167 -5.228 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 10.043 -2.043 -15.238 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 5.231 -3.471 -9.068 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 -7.328 1.266 -4.691 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 5.084 -8.328 8.172 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 5.943 -10.393 11.225 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 7.293 0.719 1.815 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 -29.148 -3.644 -7.731 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 -6.077 10.112 0.526 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 3.998 -1.185 -3.313 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 0.207 11.065 2.087 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 1.687 2.243 -0.629 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 2.077 4.430 2.802 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 -6.044 12.960 -0.853 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 -3.414 3.956 -0.121 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 -5.097 0.965 -1.242 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 -15.576 22.605 14.792 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 10.335 -20.320 -5.494 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 -6.779 -5.354 -6.327 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 0.892 -5.297 -4.384 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 0.494 -7.531 -4.889 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 0.920 2.087 3.802 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 -6.066 7.749 27.851 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 -21.342 -10.159 -6.730 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 2.170 -3.214 -2.114 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 -16.532 0.144 7.044 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 18.757 -13.807 -3.300 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 1.143 -2.384 6.467 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 17.422 -15.338 0.691 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 5.506 9.558 20.291 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 0.928 2.452 2.237 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 12.540 4.915 23.448 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 1.434 9.636 13.219 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 2.688 0.562 0.837 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 24.734 9.003 -4.515 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 -7.883 -13.825 8.970 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 -1.452 -4.642 -0.885 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 8.589 -11.871 4.716 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 -27.088 8.619 -26.950 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 5.161 -5.549 6.618 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 10.894 -8.404 10.997 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 1.501 -12.059 3.300 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 2.490 -2.806 0.191 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 3.577 1.910 4.325 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 2.574 -12.125 2.547 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 4.047 -2.667 -0.760 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 2.367 10.866 18.955 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 10.435 -9.525 16.135 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 -5.013 2.440 -5.111 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 0.471 -5.323 -4.621 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 -2.596 8.315 -3.767 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 5.124 -2.360 -6.297 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 12.438 4.974 12.134 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 3.350 11.505 18.990 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 1.266 -3.377 -4.147 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 15.197 -4.351 -11.138 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 -2.118 0.871 -1.221 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 -2.025 1.238 -1.197 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 5.762 11.708 16.669 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 -5.006 -8.455 -12.155 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 2.275 -0.848 -5.599 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 3.701 6.653 11.818 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 4.388 -2.695 -6.206 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 -2.661 -5.055 0.021 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 -5.006 4.421 -6.508 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 -1.104 -1.441 14.604 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 -3.802 -4.769 -2.087 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 6.248 -11.711 -17.042 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 -7.624 4.889 11.047 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 -0.592 -2.701 -0.001 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 2.707 -6.236 1.172 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 -9.972 -3.144 -16.915 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 4.945 5.765 3.595 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 3.229 2.827 5.543 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 -4.729 4.955 2.494 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 2.725 5.698 -1.290 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 17.911 -5.999 4.069 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 -24.511 -17.814 0.803 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 4.861 -6.939 6.185 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 -6.573 -16.941 10.626 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 1.092 19.208 -15.652 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 -5.582 4.013 7.689 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 3.325 19.535 4.452 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 0.279 -14.222 10.352 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 4.199 3.815 -0.449 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 8.774 -6.987 -6.787 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 -10.017 -4.481 -10.445 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 -0.417 3.623 -1.431 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 -3.614 -6.387 13.264 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 0.779 11.031 -2.126 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 5.117 2.700 0.182 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 -0.674 5.487 8.974 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 3.092 -9.160 -4.033 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 -2.706 -0.186 1.884 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 -9.144 2.238 -11.882 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 7.568 -8.100 20.199 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 -0.518 -0.294 4.523 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 -28.154 7.645 -17.862 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 -4.962 17.546 3.320 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 6.494 4.476 5.182 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 -0.461 2.029 -25.433 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 -0.983 16.496 3.743 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 -4.706 -5.234 -0.589 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 6.106 7.944 -27.372 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 6.394 7.465 13.665 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 3.355 1.967 -0.034 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 11.191 6.072 -21.075 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 -7.457 23.513 -23.202 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 -3.181 -0.959 6.754 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 21.438 -3.341 31.423 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 -29.363 -6.844 -22.765 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 -0.421 2.711 4.108 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 -27.366 -16.685 17.867 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 -22.278 -6.347 -3.018 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 -4.303 -4.461 5.571 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 -10.020 -11.349 -3.270 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 4.126 2.819 -2.260 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 -0.068 0.979 -2.157 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 5.497 2.850 -17.184 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 23.935 -21.132 3.701 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 -2.799 0.066 -0.007 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 7.570 -8.065 -4.411 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 20.226 -12.471 -6.811 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 -2.276 1.842 5.851 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 -6.678 1.354 13.875 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 -2.068 27.329 2.702 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 5.884 -1.439 -3.168 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 4.616 2.381 -1.775 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 2.632 -3.546 -3.050 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 -1.322 -0.161 4.471 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 -4.399 -11.435 3.105 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 14.375 11.022 6.271 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 -0.572 2.812 0.304 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 -1.665 -4.614 -2.596 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 -1.728 2.411 -3.829 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 6.186 1.045 2.380 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 -15.053 0.326 -27.184 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 0.784 1.847 -5.956 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 -1.928 -2.961 -3.460 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 30.103 10.731 7.931 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 -14.388 7.588 -18.703 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 2.650 -4.004 -0.645 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 -6.618 5.145 4.272 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 5.490 0.701 -16.208 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 -1.413 1.866 -1.860 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 16.192 10.357 2.855 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 -15.017 9.727 -9.822 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 2.363 -2.886 3.484 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 2.125 2.590 12.883 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 -4.808 -6.859 -2.521 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 2.846 0.361 2.486 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 7.984 -6.639 10.674 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 7.593 -10.251 -13.609 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 8.718 -0.974 -5.512 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 10.429 -1.349 -4.984 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 1.138 -3.320 -12.890 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 6.306 0.912 -5.571 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 1.912 15.962 -7.129 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 -2.032 9.998 6.729 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 -2.096 3.461 -6.814 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 -9.844 -18.419 -11.486 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 -4.249 8.513 19.033 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 -4.658 -1.209 -5.665 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 -1.918 1.434 2.158 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 -9.413 5.785 -9.329 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 -2.124 -0.364 -4.841 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 -5.642 -26.069 -21.589 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 5.203 1.934 -1.838 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 -7.612 -0.918 -2.928 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 5.117 0.817 -18.613 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -14.163 -25.605 13.907 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 1.200 1.114 -2.588 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 36.311 1.750 -6.794 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 -26.500 3.725 8.527 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 -1.239 0.286 6.814 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 2.437 2.555 11.355 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 2.446 -2.581 4.474 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 -6.579 6.203 -4.382 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 -4.026 12.099 -0.330 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -0.510 7.432 -10.696 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 -2.400 -0.255 -5.969 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 -3.574 17.155 -1.169 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 8.866 12.679 3.363 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 -0.831 3.649 -1.182 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 -0.563 21.725 -11.165 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 -3.753 9.570 10.382 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 -0.442 -0.630 3.389 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 -5.053 10.785 15.440 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 -18.535 27.155 0.747 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 0.642 3.708 -1.664 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 -9.942 5.750 -1.344 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 7.457 -4.693 -28.210 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 -6.395 -3.375 -1.736 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 -8.650 -4.323 -2.587 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 -4.495 -2.918 -2.325 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 -1.635 -3.717 -1.897 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 -3.426 -20.818 -8.092 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 -35.438 -9.396 24.851 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 3.861 2.076 8.021 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 6.529 3.867 5.392 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 -10.312 -2.827 16.454 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 4.806 -0.511 -1.957 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 -13.046 10.177 7.628 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 -5.559 22.881 27.100 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 -0.267 7.017 1.409 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 0.006 8.317 0.765 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 5.429 -14.037 -23.856 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 -7.188 5.203 0.803 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 -15.947 2.461 -5.062 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 14.475 -7.418 15.170 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 -4.682 1.808 6.028 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 1.342 -8.972 20.381 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 -4.901 15.742 -5.730 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 -2.483 -1.637 3.823 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 -7.911 9.530 4.523 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 -9.281 3.205 6.100 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 -0.041 1.256 -2.511 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 -1.697 -6.445 3.094 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 13.194 -9.524 31.005 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 -6.331 3.900 6.997 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 -11.382 5.146 5.912 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 -3.600 4.848 12.293 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 0.271 -1.951 -7.497 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 -16.131 9.574 1.998 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 -24.159 -11.802 -11.602 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 -1.258 -2.802 -0.083 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -5.511 -7.044 -5.206 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 9.840 13.700 13.041 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 0.077 1.630 -2.462 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 1.918 1.603 -3.309 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 -4.757 2.145 -6.946 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 1.439 4.855 1.904 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 -7.469 0.614 -5.163 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 -15.109 3.266 -6.492 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 -0.330 2.003 0.777 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 -20.565 -33.600 -1.516 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 16.940 8.075 -23.197 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 -7.389 3.476 0.579 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 -6.903 -0.268 -0.479 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 -8.363 6.078 3.232 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 -0.064 6.137 -1.437 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 3.199 -40.163 -22.953 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 12.344 -26.356 -1.767 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 1.297 1.068 -6.576 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 11.572 -5.042 -19.750 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 -2.861 13.973 6.465 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 -0.676 -6.378 3.732 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 1.904 16.556 6.781 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 -1.436 -17.851 6.049 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 0.312 -5.563 -2.426 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 -14.752 23.432 -2.342 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 -19.636 -22.212 -17.434 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 -7.628 -4.591 2.523 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 -21.007 -18.016 -5.211 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 -13.028 -6.555 9.519 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 -3.688 -0.463 3.381 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 -12.419 12.596 4.585 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 0.343 -7.675 3.743 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 4.506 -3.227 2.568 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 21.902 -26.343 -2.475 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 -6.744 13.257 -0.921 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 2.507 -5.138 3.819 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 2.440 -4.169 16.120 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 -3.441 1.173 3.928 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 3.849 -2.937 -6.089 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 -9.097 4.214 -4.619 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 12.302 -21.710 4.997 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 -5.709 4.290 -2.649 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 -3.101 14.327 -1.472 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 -3.623 8.775 -0.439 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 -3.468 3.277 2.750 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 28.652 17.203 16.704 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 8.177 2.888 4.154 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 1.769 -7.941 -6.421 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 -20.321 -6.724 -5.574 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 -25.312 -14.086 0.804 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 -4.302 0.341 -3.856 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 8.226 -12.396 14.811 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 8.240 4.184 -3.909 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 -4.800 -5.157 -7.527 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 -12.645 -12.520 22.819 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 19.633 9.380 0.244 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 2.467 -6.482 0.506 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 -1.714 -8.085 -2.417 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 -0.178 -2.483 3.893 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 -4.717 1.131 -2.483 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 -4.339 -3.026 0.531 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 -0.497 -7.389 6.098 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 2.865 -2.690 -7.135 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 16.424 -13.391 -15.563 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 8.291 -9.289 8.189 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 0.844 -2.438 1.751 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 6.207 -9.165 7.508 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 -10.508 2.418 21.004 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 1.990 -4.484 5.011 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 -14.449 8.674 -1.465 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 11.251 -5.239 13.144 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 -0.108 -11.300 1.065 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 -12.360 -2.012 -27.783 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 13.484 9.419 12.280 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 0.766 2.604 -2.381 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 2.035 7.947 15.993 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 -6.580 8.128 17.545 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 2.664 -0.773 2.303 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 -0.189 -1.247 0.158 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 1.027 -2.751 1.791 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 -0.317 1.676 -0.123 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 -1.269 -0.909 5.426 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 3.188 14.886 -12.707 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 -3.100 5.610 -3.585 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 -11.196 -13.309 8.312 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 -13.553 -19.880 12.882 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 8.655 3.127 -4.810 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 12.417 3.527 -1.131 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 -11.807 -15.506 13.636 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 2.407 -4.596 -5.943 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 8.695 0.279 -16.868 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 5.216 -5.854 5.230 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 -3.070 3.942 -1.087 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 -5.651 -5.200 2.898 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 -13.585 24.593 -14.370 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 0.819 1.886 4.752 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 -6.569 -16.109 30.170 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 -2.131 -7.948 -4.992 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 1.897 0.267 1.681 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 4.950 1.335 -1.806 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 -1.136 -7.481 -7.617 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 -3.875 5.574 -0.668 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 -6.173 -1.289 -6.483 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 5.388 -3.477 0.889 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 -4.633 -0.635 -3.073 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 -0.409 3.482 -4.595 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 -9.167 -2.499 -9.070 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 6.764 -1.521 -4.512 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 11.102 13.415 0.245 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 1.487 -15.083 -16.286 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 -2.799 1.545 3.733 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 -17.050 1.363 13.262 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 -2.837 -4.082 8.937 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 2.182 -1.541 -1.683 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 2.486 -4.153 0.936 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 17.977 -1.865 -8.823 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 -6.548 -1.520 -3.267 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 -10.759 -0.373 -9.992 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 -8.559 7.062 0.052 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 4.443 1.427 2.628 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 -2.517 -18.516 11.255 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 11.030 -1.586 10.986 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 -2.104 0.969 -0.118 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 -2.218 0.821 10.375 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 -3.521 -1.074 0.102 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 2.470 3.963 -0.747 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 36.948 -0.118 -2.619 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 -4.697 2.204 -5.073 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 1.474 -0.155 3.900 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 25.039 24.156 -22.427 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 -36.661 -4.101 -16.551 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 -0.669 4.411 -1.662 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 -6.957 0.663 6.010 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 2.197 18.152 27.025 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 -8.573 0.596 -4.279 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 2.866 6.886 -12.735 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 -13.981 0.456 -1.340 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 -10.129 -0.823 2.478 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 -13.090 -9.932 25.133 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 9.260 -0.203 0.728 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 -0.085 5.063 -5.305 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 -6.058 7.733 -4.112 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 1.593 5.644 1.887 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 -0.592 -1.590 -2.221 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 1.426 -3.674 11.776 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 1.866 -0.927 14.848 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 -3.342 3.028 9.075 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 -16.831 5.362 -29.669 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 -9.878 6.841 12.769 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 -4.377 -0.169 -0.238 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 3.171 -3.374 5.062 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 4.843 3.329 -3.650 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 2.042 -3.041 5.504 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 -3.853 -2.966 1.592 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 -3.029 -2.022 -10.095 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 6.046 -4.051 2.677 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 24.538 -3.609 -29.723 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 6.624 -0.661 3.447 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 -2.417 1.268 2.550 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 -17.204 -18.847 -9.668 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 -4.482 -7.148 5.877 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 1.518 -4.341 6.917 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 9.097 -24.609 0.220 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 7.522 -6.037 -8.707 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 1.662 9.910 3.180 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 -6.526 6.733 -31.970 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 -5.461 12.443 4.849 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 10.192 -2.933 1.989 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 -4.702 -20.700 4.264 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 6.311 -1.208 2.925 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 -0.528 -0.884 3.169 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 -0.698 -4.607 19.500 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 -14.308 0.074 8.396 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 2.522 -4.895 3.728 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 -6.762 9.083 25.808 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 2.653 -2.513 5.182 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 4.195 2.758 2.595 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 -14.754 -25.677 3.334 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -21.004 31.557 -12.659 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 -4.930 -0.023 1.771 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 -9.911 -4.332 12.917 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 6.184 7.674 0.378 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 -1.008 -9.901 2.578 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 -22.734 7.425 -15.280 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 19.165 12.157 0.549 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 3.168 -7.472 1.988 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 -13.518 -17.375 0.116 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 -0.109 7.358 15.263 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 -3.837 -0.039 -0.291 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 10.495 -14.457 7.804 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 19.910 0.928 -13.478 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 -0.787 7.479 -1.671 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 30.706 -7.445 -9.509 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 3.884 2.251 -9.461 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 3.302 4.959 2.391 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 -10.732 31.591 -11.398 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 3.298 5.014 2.221 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 -4.753 3.561 -0.613 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 -11.966 -10.270 3.429 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 7.485 -12.091 -9.374 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 4.348 -9.202 -2.874 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 14.178 -8.432 -6.015 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 -1.593 -1.677 -1.480 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 4.360 2.751 2.271 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 -7.728 4.280 -15.224 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 -6.584 5.273 27.592 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 6.620 -3.361 2.097 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 -3.936 6.152 -3.241 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 12.358 -11.038 4.668 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 -8.992 -6.124 -0.070 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 3.016 -1.575 -5.578 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 24.148 -33.210 -9.065 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 -1.974 -1.032 -4.584 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 10.198 14.090 9.625 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 12.987 19.305 7.645 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 2.160 2.332 -8.454 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 2.749 -15.603 -7.886 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 -3.199 16.692 -3.101 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 6.571 2.675 -1.068 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 8.326 1.760 0.673 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 -5.896 -7.016 -12.639 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -2.948 4.853 0.265 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 -7.366 3.998 1.945 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 2.219 11.477 6.637 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 -1.151 -3.665 -5.199 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 1.532 -0.151 3.431 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 5.215 3.881 14.047 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 3.725 -7.820 1.494 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 10.817 7.130 -3.779 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 4.231 -24.022 -5.869 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 -2.766 -3.544 3.790 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 4.523 3.926 -9.866 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 0.710 0.469 -3.281 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 6.681 -2.029 1.461 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 6.187 -3.306 19.957 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 -11.021 1.817 -2.353 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 -3.423 -4.155 1.023 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 -2.047 2.129 -1.047 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 -4.801 -5.032 1.788 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 -9.691 1.050 1.433 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 3.407 -10.342 22.577 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 1.288 1.964 -0.111 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 -1.125 -0.351 -2.538 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 -0.668 -12.205 -3.943 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 -2.926 8.927 -0.703 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 -2.826 -5.596 7.807 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 14.883 -4.594 3.462 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 -0.313 -12.664 1.979 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 1.298 -2.601 -3.061 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 4.024 9.190 2.852 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 13.741 -6.102 -7.633 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 4.445 2.112 -0.782 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 -5.311 -17.283 28.678 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 3.598 3.274 -0.724 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 3.968 -1.376 -1.359 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 -12.690 1.180 0.393 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 -2.838 -0.432 0.405 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 0.577 -4.536 3.802 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 9.162 -1.123 8.508 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 2.018 -14.751 -2.120 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 2.455 1.197 2.720 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 4.255 -3.767 6.657 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 -6.008 11.546 -5.421 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 -0.327 4.123 -2.320 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 -21.166 -6.400 16.472 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 -10.760 -16.521 -0.098 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 -4.388 -3.061 0.418 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 -3.240 -0.380 0.258 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 -16.759 -0.290 -10.247 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 0.162 2.883 1.386 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 12.670 0.743 0.492 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 -0.286 15.384 4.104 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 -3.456 2.399 -1.074 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 -3.128 -3.694 -2.730 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 0.653 -9.275 -5.839 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 -7.341 2.804 -1.202 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 -15.144 8.941 -4.505 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 -15.414 17.704 -0.925 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 -8.507 -3.318 4.099 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -11.558 -0.820 0.181 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 16.066 5.140 6.004 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 -0.333 -2.120 -2.133 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 8.765 -21.966 7.541 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 1.217 -1.721 2.535 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 -11.103 -4.059 0.177 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 -11.123 -5.574 -5.660 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 -24.082 5.480 20.303 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 -1.007 -0.609 -3.448 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 20.710 7.056 -5.674 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 -8.950 -9.349 7.627 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 2.647 -4.451 -3.339 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 2.232 19.559 7.726 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 -12.603 0.720 -7.206 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 0.949 2.490 -1.544 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 2.117 6.269 2.685 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 15.491 22.612 24.543 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 -3.334 -3.311 -0.234 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 -6.185 -3.934 -7.946 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 -6.622 -1.024 15.569 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 5.805 4.708 -2.055 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 16.838 -11.822 -13.186 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 -23.379 10.312 -4.547 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 -5.436 -0.995 1.029 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 -11.889 -6.066 -2.200 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 -4.722 -2.982 4.325 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 8.116 0.584 -1.192 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 -3.282 -20.443 -19.098 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 3.693 -5.671 -5.938 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 5.089 0.425 -5.865 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 -10.909 23.500 -29.003 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 5.425 -16.619 16.519 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 1.260 4.069 -1.971 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 -24.724 4.109 1.315 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 2.874 2.400 -27.670 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 -7.691 -5.137 -2.216 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 -9.546 -5.609 -2.018 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 13.835 5.748 3.318 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 0.703 -1.573 2.002 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 0.946 -0.426 1.883 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 -2.323 -5.925 3.660 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 -4.416 0.330 5.530 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 -26.432 -12.829 -9.227 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 -22.570 -3.835 4.067 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 3.054 -3.817 0.757 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 -1.163 -4.809 10.433 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 -0.434 1.740 -1.217 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 -4.777 5.710 -4.753 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 -23.418 2.704 0.195 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 1.708 14.614 -3.975 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 -8.416 -6.594 2.701 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 6.145 13.291 2.472 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 5.671 20.041 16.129 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 -1.659 -3.662 5.933 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 -2.094 -7.681 7.182 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 2.798 6.277 -0.022 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 -0.998 -2.482 4.600 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 2.766 0.763 -4.535 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 9.045 -6.966 3.816 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 -6.490 0.304 0.765 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 4.677 2.180 -7.750 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 -6.390 0.540 -3.796 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 7.078 7.384 6.223 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 -3.628 -4.829 -0.566 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 27.868 11.070 2.198 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 -0.237 -1.279 5.550 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 -30.573 -4.388 -5.971 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 37.690 2.683 20.859 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 1.582 -6.037 5.754 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 -10.416 12.486 -6.902 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 13.483 6.822 -2.571 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 2.311 8.120 6.440 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 33.185 -14.971 -3.428 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 -18.981 6.569 -15.985 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 5.659 5.867 -0.936 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 1.596 8.586 0.367 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 18.948 -10.225 -5.428 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 3.135 -2.882 -1.333 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 -8.407 7.972 6.135 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 14.845 -17.940 -10.560 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 -2.345 -4.929 -3.152 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -14.008 9.708 -11.014 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 1.169 -9.183 -0.896 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 -4.600 8.330 -1.771 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 -5.532 25.178 3.885 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 -7.644 7.269 -17.039 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 -1.153 5.232 6.809 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 10.942 26.392 -7.707 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 -14.421 2.143 -33.859 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 5.674 3.275 3.353 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 9.921 -6.248 -11.456 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 11.638 -1.065 17.519 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 -0.057 -1.942 0.743 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 19.682 -0.569 0.893 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 -3.906 -2.393 -3.467 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 -1.447 5.630 -2.584 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 10.549 3.956 17.387 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 -7.741 -2.614 -12.334 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 0.839 0.754 -6.349 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 -38.304 -19.788 16.417 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 10.713 9.896 -12.655 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 6.007 3.895 4.160 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 4.144 5.671 -1.095 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 -1.123 0.625 6.416 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 2.067 -1.607 3.117 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 4.907 0.879 7.884 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 -15.285 1.035 13.535 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 2.688 2.325 1.381 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 -4.235 6.724 -1.499 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 -0.952 11.197 27.812 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 -0.133 -3.874 9.938 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 -0.188 -4.123 12.538 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 -1.848 -8.023 9.870 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 -4.997 -4.427 7.762 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 -3.335 -2.477 14.684 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 -8.227 -11.568 2.184 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 0.024 4.712 0.926 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 -1.961 -12.950 9.460 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 8.789 -10.942 5.169 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 2.091 -1.378 2.464 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 -3.901 -5.351 12.220 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 2.429 -26.287 26.963 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 -9.733 -0.656 -4.085 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 -5.740 5.544 -7.503 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 -8.760 -2.689 -4.069 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 6.106 4.147 -4.302 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 9.453 -4.838 18.218 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 8.868 16.386 4.629 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 6.840 1.829 0.818 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 15.217 0.537 -6.914 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 3.926 -6.183 -22.912 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 1.739 4.012 -6.842 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 4.930 -5.978 15.048 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 2.796 -5.695 4.687 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 -3.562 -0.106 1.480 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 0.878 17.605 2.531 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 -5.145 17.940 -3.295 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 1.701 -2.594 3.614 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 20.079 -14.892 -28.503 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 23.965 -17.251 -34.974 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 3.101 -6.803 -2.966 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 9.123 1.962 -10.793 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 14.745 -6.618 5.054 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 5.546 0.378 -2.027 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 7.443 -0.773 -3.368 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 2.974 -4.922 -12.518 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 -0.040 2.788 1.416 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 2.568 5.008 -2.818 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 -4.076 0.253 -5.174 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 -1.875 2.139 7.338 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 -3.861 2.572 0.591 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 -11.654 4.671 -1.386 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 0.426 0.968 4.774 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 8.787 3.947 -19.779 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 -0.247 -0.419 8.562 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 3.025 -2.810 -0.525 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 3.621 -1.948 -1.242 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 9.940 -12.942 -15.121 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 2.781 -4.352 -6.471 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 -2.379 -8.158 11.395 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 -12.119 2.548 -9.681 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 -6.052 -0.218 3.345 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 -21.862 5.909 11.910 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 2.096 -20.013 -1.845 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 -1.099 2.481 -2.701 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 -20.644 16.667 -2.341 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 -8.078 7.822 -1.276 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 -5.795 -2.330 0.264 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 -6.583 -7.313 11.745 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 4.011 -2.873 -5.523 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 3.291 1.732 5.531 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 6.387 3.326 2.869 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 24.666 8.386 -11.536 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 -1.167 4.633 4.765 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 -4.269 12.736 4.202 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 15.885 -20.646 19.906 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 -2.188 5.978 4.204 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 -7.925 8.299 34.395 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 -11.320 8.196 8.682 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 4.264 4.837 6.252 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 -3.975 -6.639 -8.081 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 5.710 -9.116 -1.309 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 -2.896 3.322 1.239 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 -6.274 6.609 2.334 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 -23.618 11.133 -1.451 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 -1.679 7.074 -1.008 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 -14.586 -13.480 20.818 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 3.640 15.608 -9.853 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 2.085 -0.570 1.702 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 -6.012 9.326 -13.885 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 22.493 -5.542 -3.007 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 -1.195 0.986 -5.237 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 4.064 9.069 -25.738 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 0.819 -15.113 2.288 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 -4.279 0.555 -5.051 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 4.514 -13.387 12.345 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 0.114 -7.935 4.394 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 -2.580 -2.479 -8.227 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 1.441 -14.632 -0.936 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 -10.368 -20.396 0.902 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 7.623 -0.380 -1.127 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 -1.434 5.948 -3.193 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 16.181 6.085 0.291 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 3.063 -1.768 -2.702 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 13.609 6.873 12.161 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 8.110 0.124 6.556 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 3.396 2.691 -1.481 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 -0.823 0.307 5.152 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 -0.437 -1.809 -0.458 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 5.988 0.260 0.648 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 -5.207 0.313 15.638 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 -10.948 0.168 24.572 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 -0.186 -0.200 2.243 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 1.043 -1.969 15.024 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 -31.645 0.355 -0.635 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 4.618 0.082 -4.116 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 3.718 -7.656 7.850 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 -7.587 -4.664 13.178 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 1.518 1.392 -1.407 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 -6.512 16.345 29.018 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 3.117 2.027 3.154 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 0.931 -0.153 -3.235 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 -10.768 14.300 -3.462 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 -6.824 -17.370 0.409 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 1.223 -10.248 -2.327 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 5.630 -3.605 3.042 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 13.460 3.158 6.810 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 -3.968 -3.596 -4.564 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 -4.346 -0.935 -1.400 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 -10.662 -0.728 3.100 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 2.131 -0.060 -4.233 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 -11.204 -14.958 2.226 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 -11.954 4.057 8.541 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 3.505 -0.874 2.083 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 7.503 14.343 -10.924 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 0.636 -30.827 1.242 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 0.700 -4.143 5.437 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 -1.468 -6.709 -6.020 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 -3.492 -8.416 3.871 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 0.240 0.334 -1.383 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 -3.903 -2.515 21.726 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 4.131 9.616 -4.198 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 -1.022 -4.685 -2.083 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 -4.119 2.924 -5.308 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 11.050 16.175 -0.646 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 5.018 0.590 -6.745 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 -10.996 -23.035 -19.276 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 0.224 37.903 -19.877 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 6.230 2.663 -3.000 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 9.018 -3.237 -8.200 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 16.452 -2.621 17.344 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 4.785 3.830 5.092 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 -4.962 -7.585 -13.524 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 -11.660 1.075 22.355 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 2.239 -4.957 -9.927 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 5.499 8.053 -18.574 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 -5.278 1.675 5.083 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 3.415 2.330 6.983 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 12.661 9.075 -4.171 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 -18.813 9.952 -7.347 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 6.455 -1.975 -2.433 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 -16.183 -17.464 -8.573 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 3.746 6.417 30.643 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 -2.062 -0.172 -4.654 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 -2.787 -15.921 20.952 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 -30.252 10.110 -7.123 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 -3.631 0.225 -1.768 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 25.733 2.920 -11.648 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 -19.422 -17.576 11.345 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 4.115 3.854 2.652 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 -5.783 12.952 -18.695 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 0.711 7.220 -5.869 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 -2.694 -0.795 2.918 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 27.011 0.463 16.953 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 -20.143 -11.221 5.189 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 5.135 -5.181 -4.470 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 -10.520 -3.630 5.812 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 -11.440 -16.331 -1.712 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 0.037 8.606 -8.099 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 -6.684 15.615 -13.528 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 -2.631 6.482 1.417 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 0.999 -1.353 -0.657 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 25.870 -25.095 -10.330 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 -15.241 -17.039 -20.067 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 4.437 3.431 -0.288 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 25.634 -5.961 -7.720 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 -7.875 5.697 -0.587 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 2.103 1.670 -3.052 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 -15.611 8.959 15.900 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 7.074 -0.391 -0.218 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 3.609 2.592 1.767 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 4.295 8.958 -12.268 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 -8.341 9.191 8.853 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 3.679 -4.939 4.298 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 -3.358 2.906 35.281 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 8.600 -5.060 -29.434 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 2.540 -4.668 0.808 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 9.933 1.521 -7.932 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 8.586 -8.800 10.298 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 -2.355 2.472 -1.764 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 4.112 19.395 -7.986 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 -0.991 15.274 -9.068 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 0.686 -4.977 -4.003 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 13.011 -5.156 10.580 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 4.651 -22.004 -12.536 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 5.053 -4.570 0.917 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 3.597 2.362 0.766 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 12.308 4.120 -5.415 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 -1.664 0.704 4.735 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 -11.238 15.066 0.464 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 3.268 3.665 22.259 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 -1.998 0.500 -5.829 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 -7.264 -10.156 5.147 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 7.332 14.556 11.369 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 -7.785 -1.974 -3.195 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 -4.228 -16.593 -5.698 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 5.768 0.398 5.361 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 -7.287 -5.479 -3.508 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 -14.503 7.822 -22.046 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 1.875 -5.357 6.546 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 -5.654 2.063 1.335 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 -16.939 -4.725 -8.050 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 -4.042 28.756 9.428 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 -0.655 0.496 -4.333 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 -18.507 -2.171 -21.871 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 -5.583 -7.142 0.981 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 -1.981 -7.335 -0.075 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 -10.856 -1.833 7.904 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 4.987 -6.158 -3.620 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 -3.157 6.397 -8.470 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 -10.462 0.091 -18.185 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 3.229 17.170 -12.677 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -0.380 -2.984 2.610 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 -8.565 -2.394 1.606 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 1.479 -13.798 15.370 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 0.642 -0.701 -0.923 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 3.781 -20.112 5.312 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 -1.029 -0.436 -4.060 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 -3.622 6.872 5.314 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 -6.892 4.122 6.734 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 -8.436 -8.694 3.005 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 -0.371 -2.441 1.308 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 -3.866 -7.374 -2.308 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 3.675 1.048 3.450 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 -3.519 -2.540 -2.237 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 7.662 7.232 -7.537 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 1.353 -11.289 -11.867 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 7.854 1.495 -6.416 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 6.041 -1.532 -0.718 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 15.126 -1.752 -5.166 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 -0.495 -1.136 0.746 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 6.331 2.808 -3.089 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 26.928 18.729 -16.036 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 5.859 4.634 4.100 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 -5.140 -1.841 17.252 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 -5.112 -2.686 23.056 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 2.658 5.826 3.808 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 11.780 -10.706 8.601 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 -15.799 27.004 -13.944 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 -2.018 4.017 1.621 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 -2.922 2.856 -0.523 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 6.929 7.066 4.541 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 -0.663 0.873 -4.887 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 -3.404 22.007 -14.650 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 12.051 -9.707 -20.321 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 -3.032 2.024 -1.096 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 -10.506 18.778 21.782 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 -2.369 2.110 6.615 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 -6.633 -2.841 4.123 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 -4.942 -9.813 -2.856 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 15.871 -3.626 15.092 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 8.288 -0.491 3.603 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 -1.483 -30.277 -0.355 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 -3.868 14.679 17.054 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 10.251 -1.526 7.136 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 6.464 7.286 11.295 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 2.165 -5.188 -1.737 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 -6.687 1.887 -8.919 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 -2.365 -30.777 -18.944 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 -0.682 21.543 -12.871 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 7.959 5.053 0.771 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 -12.446 23.921 -4.359 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 -3.715 -9.057 16.553 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 -2.479 7.298 -5.753 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 6.265 0.448 -1.961 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 23.695 14.474 -9.437 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 2.207 -3.701 -1.700 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 -8.111 -5.755 -17.029 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 -3.007 9.558 -15.836 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 -1.901 1.385 -1.031 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 -21.581 -0.520 9.625 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 3.492 -0.828 -12.187 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 7.057 4.600 -4.737 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 5.179 1.977 -4.601 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 -7.711 -5.458 1.233 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 -4.090 2.663 -1.922 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 13.171 -0.618 -2.041 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 1.823 6.171 -4.121 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 0.879 1.710 -1.250 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 8.571 -17.163 -1.938 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 -14.140 0.129 -12.005 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 3.065 -7.338 -4.874 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 14.907 -10.597 2.507 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 2.602 -0.266 13.763 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 -3.696 0.833 -3.538 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 1.734 12.050 -12.412 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 24.045 6.264 -3.069 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 2.292 -0.730 3.914 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 -5.695 -14.241 27.152 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 -1.626 15.842 0.758 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 2.893 1.773 3.664 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 1.084 -19.683 27.904 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 29.503 -5.259 -14.679 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 0.668 0.320 1.933 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 8.819 -22.197 -14.487 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 -1.401 7.762 7.794 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 7.512 4.050 -0.510 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 -1.347 6.291 7.110 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 12.479 -18.716 -3.604 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 2.460 1.689 9.442 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 22.864 1.421 -0.906 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 14.296 4.100 6.625 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 2.182 1.162 -1.949 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 12.918 1.555 -24.405 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 0.338 -0.988 -3.568 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 -3.142 3.330 -4.054 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 9.378 -5.340 8.050 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 16.209 2.623 5.129 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 1.119 -1.062 -4.289 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 17.809 -19.699 4.471 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 -23.576 -8.290 -11.745 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 6.319 -3.814 -2.944 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 4.638 12.675 0.319 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 3.650 -9.536 8.938 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 -0.310 1.847 0.757 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 6.286 11.534 -28.753 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 2.005 4.075 -4.011 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 -0.606 -1.655 -0.850 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 -4.558 1.862 -1.467 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 -4.851 1.202 -5.025 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 -3.545 -4.958 -2.066 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 -3.310 35.165 -17.213 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 22.108 -13.390 19.870 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 1.619 3.541 2.100 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 -19.748 4.018 -20.682 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 10.165 -2.780 10.696 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 1.053 0.574 3.110 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 8.486 -9.373 21.466 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 3.427 -21.474 -3.849 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 6.499 -0.498 -2.132 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 2.799 0.180 1.870 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 -14.118 34.512 9.021 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 -0.119 0.942 -2.668 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 -8.595 11.357 -2.890 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 5.686 7.484 -8.612 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 -3.113 -1.518 -2.044 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 -10.848 -5.399 -8.369 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 25.344 -10.324 5.862 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 1.054 7.600 -1.281 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 -5.393 -4.476 -4.888 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 4.369 21.150 -7.577 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 7.804 4.269 -3.771 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 9.122 -0.847 -4.456 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 -3.180 -14.544 7.638 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 -2.489 -0.808 -5.445 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 -13.137 -14.201 -8.007 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 -0.995 -5.159 -9.627 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 -4.149 -1.384 0.686 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 -15.899 14.081 7.990 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 2.786 -3.828 -2.809 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 2.957 -5.893 0.635 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 -11.339 24.516 18.774 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 12.206 27.567 -10.103 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 -3.092 10.173 -8.534 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 -5.323 12.743 -9.061 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 10.255 23.448 -1.057 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 -0.224 -4.337 -2.929 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 -42.114 21.344 32.980 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 1.752 -5.673 -0.908 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 4.852 -5.998 -8.475 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 4.545 -3.287 -13.259 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 3.019 -13.471 -1.281 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 -6.108 3.127 5.754 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 -13.922 0.893 24.137 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 -2.231 5.765 -8.123 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 0.203 8.094 5.962 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 -14.755 8.118 0.374 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 4.529 5.921 7.871 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 -0.190 0.488 4.272 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 9.798 -23.358 -18.564 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 1.261 -3.773 -3.482 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 -0.330 -1.847 0.727 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 -12.067 13.982 24.421 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 3.047 23.846 -6.535 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 -0.749 -5.783 3.169 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 -8.147 -12.317 -5.804 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 1.688 -19.648 1.635 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 -4.481 3.439 4.953 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 -3.044 12.198 5.810 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 -7.923 -3.520 8.353 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 -5.997 0.274 1.774 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 -17.150 14.452 6.196 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 11.856 3.966 0.152 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 -2.872 7.348 -2.116 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 -22.000 -13.081 4.646 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 -0.218 10.760 14.791 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 -3.422 4.264 0.275 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 -0.279 11.333 4.996 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 3.702 5.823 -9.916 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 4.613 3.154 -4.122 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 10.840 13.264 4.188 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 6.207 -20.822 -14.227 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 -4.139 4.299 -3.169 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 -9.463 3.095 -3.249 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 14.235 5.409 -9.929 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 -5.766 0.454 2.336 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 -10.788 -1.401 6.317 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 -0.964 2.281 5.876 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 -2.267 3.259 -4.983 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 7.484 -15.606 -10.282 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 -13.757 15.947 8.703 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 -4.620 3.274 -4.250 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 13.332 4.341 26.173 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 -4.383 3.688 -3.722 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 5.737 -1.169 1.343 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 -12.994 -18.068 8.438 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 20.353 12.040 -8.361 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 4.563 2.685 -3.776 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 0.802 -0.424 -9.164 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 -3.651 -13.164 -23.097 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 -0.591 2.930 5.500 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 -3.369 24.848 22.728 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 4.585 0.009 25.621 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 1.855 7.750 -5.907 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 17.207 -6.653 -4.334 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 -5.060 34.128 10.497 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 -2.457 -3.107 1.682 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 3.909 2.062 31.176 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 3.431 -4.471 -17.551 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 -0.213 6.971 -2.246 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 0.146 19.443 4.604 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 -9.829 9.550 -16.465 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 -3.539 -4.206 7.937 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 2.689 -12.388 -4.128 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -16.284 -1.985 -7.575 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 0.707 -2.028 -0.437 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 -8.701 13.176 -0.954 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 2.792 4.710 9.064 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -3.408 -1.344 -1.218 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 -4.696 -4.246 12.190 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 2.005 1.153 10.173 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 0.055 6.357 2.040 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 18.281 10.033 -18.192 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 -11.336 -1.793 21.594 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 -8.707 -3.557 4.170 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 21.610 -10.862 40.007 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 -0.840 -31.749 -10.004 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 0.290 2.681 -1.153 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 -4.574 -2.055 -4.208 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 -6.167 6.120 -17.185 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 0.471 4.367 -2.103 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 -2.591 -4.713 5.064 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 -11.419 -14.288 17.076 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 0.033 -3.931 4.020 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 -0.905 15.066 1.949 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 14.264 20.637 -24.647 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 1.500 3.639 4.152 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 -6.154 -6.764 -1.256 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 3.125 7.739 -6.123 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 -0.301 -1.928 2.277 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 -5.103 -37.739 5.902 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 6.499 18.715 -10.361 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 -1.071 -2.302 4.366 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 -11.947 9.401 -3.711 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 16.276 6.191 1.519 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 -3.197 5.032 -5.053 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 -4.317 -0.201 -3.305 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 8.481 11.402 -6.053 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 -1.236 1.060 1.673 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 3.913 22.026 -9.642 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 -3.908 5.396 -6.178 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 0.947 -2.113 -0.454 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 4.988 -13.291 -1.203 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 1.780 10.160 3.183 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 2.927 7.873 1.882 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 5.124 3.729 15.530 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 4.478 -8.151 -19.442 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 -0.976 1.563 -5.863 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 -5.999 -3.810 3.563 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 -5.374 19.074 -7.884 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 1.420 5.756 -0.288 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 -16.718 16.274 4.527 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 -6.966 -14.110 2.537 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 2.918 -11.688 -3.166 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 21.281 13.357 10.596 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 -12.361 -24.093 3.574 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 5.722 -2.197 -1.097 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 3.324 14.593 -29.247 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 -0.708 -4.340 -16.043 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 -5.515 0.798 -3.274 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 -6.726 -4.365 -6.713 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 -8.694 3.109 -0.706 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 -2.055 6.296 -4.105 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 30.494 -12.513 5.484 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 -27.002 -21.692 -17.716 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 -4.363 0.394 -3.083 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 -6.511 -8.906 6.529 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 3.241 -6.016 -12.010 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 2.013 -0.745 0.804 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 5.036 -8.427 3.060 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 -12.436 -17.654 10.160 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 4.361 1.561 0.599 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 28.588 -2.041 1.328 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 -4.213 -0.301 -3.229 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 1.464 -0.159 2.399 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 0.464 9.287 -0.085 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 -2.050 -3.352 -8.743 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 0.868 0.307 -3.131 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 -14.595 -8.095 5.218 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 7.667 13.725 -4.361 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 5.221 -0.665 -0.170 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 -9.381 3.373 -14.731 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 11.557 13.266 -4.257 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 2.533 -2.713 -5.275 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 -3.322 -16.744 5.770 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 -13.231 7.300 -9.693 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 -0.584 1.575 -1.669 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 -0.329 3.275 11.289 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 -6.317 4.945 -6.242 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 -7.386 3.709 1.452 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 30.424 12.292 -12.187 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 6.913 -28.626 0.818 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 2.740 0.569 -3.568 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 0.326 -4.251 -1.053 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 7.759 11.145 -10.722 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 -0.529 3.807 2.318 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 -7.123 14.817 3.832 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 3.969 -7.793 -7.106 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 -1.725 -5.834 8.755 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 -13.018 -6.508 12.461 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 6.852 26.055 17.490 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 -0.071 3.090 -2.557 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 3.256 -5.432 -4.361 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 11.077 -18.682 -20.697 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 -5.671 7.203 -0.785 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 18.718 -5.508 -15.096 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 -16.426 10.898 15.968 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 -1.577 2.390 -0.844 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 -9.534 -10.413 -0.240 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 14.086 -5.561 -4.502 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 -2.849 9.952 0.063 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 14.189 5.288 -19.063 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 -17.177 -10.087 -2.047 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 4.881 5.301 5.626 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 -10.294 6.713 21.362 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 -6.335 8.752 -10.001 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 0.569 -2.124 -4.025 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 8.513 -5.117 -4.852 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 -1.050 -7.853 -0.321 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 2.781 -1.093 -1.885 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 11.028 19.255 2.068 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 12.981 14.946 -24.915 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 -10.694 -0.641 2.654 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 -15.386 0.986 -10.536 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 -12.348 -6.813 11.140 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 1.351 6.086 2.583 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 8.882 1.705 7.151 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 -5.732 3.035 5.715 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 3.728 5.868 -5.927 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 -1.507 -7.684 -7.640 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 26.294 -21.788 -5.877 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 5.245 -2.131 2.403 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 7.582 -0.203 1.615 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 10.773 16.574 -1.751 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 -1.102 -2.318 0.569 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 16.148 13.896 4.387 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 6.524 20.814 6.753 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 2.421 2.794 2.298 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 2.363 13.594 14.982 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 18.470 -3.417 1.934 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 -0.818 -0.208 2.117 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 7.949 11.220 -3.135 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 -11.047 11.034 3.742 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 -1.074 -5.939 1.409 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 -2.186 -35.535 1.023 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 -11.823 6.193 7.491 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 2.175 -2.482 -3.507 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 5.106 -3.011 12.641 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 -9.287 4.439 -11.842 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 -2.311 -1.899 -8.286 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 4.083 -2.686 -5.426 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 -32.990 -1.414 -23.702 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 -2.692 6.147 1.971 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 -17.645 -2.192 -15.691 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 5.287 9.592 -3.007 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 1.005 1.109 -0.179 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 10.969 -15.404 -16.116 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 -14.286 6.295 0.276 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 -7.055 4.416 1.768 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 -3.814 3.117 -7.768 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 -1.608 5.963 7.917 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 -3.424 8.374 2.830 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 4.680 -4.746 0.068 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 -10.445 21.372 5.118 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 7.545 5.376 -4.667 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 2.273 4.841 -1.554 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 10.968 -10.073 -6.534 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 -3.585 1.650 4.419 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 -2.000 6.346 5.221 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 -0.151 0.168 1.482 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 -5.322 -1.472 1.199 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 -2.544 -1.572 2.371 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 -5.281 1.792 2.806 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 -5.385 -0.241 0.447 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 5.411 20.786 -4.762 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 9.412 10.419 2.797 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 0.708 -2.957 4.900 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 -5.136 2.215 8.291 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 8.290 3.859 -2.160 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 -7.736 4.948 2.187 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 -17.153 -16.320 -2.006 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 2.269 21.138 5.079 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 -6.108 -0.844 -0.082 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 -9.335 -1.326 5.498 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 3.103 8.684 -10.322 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 -1.911 -1.621 -3.443 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 -8.540 3.774 -22.259 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 7.127 -4.691 10.864 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 -1.320 -0.784 -2.204 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 3.736 1.111 -9.902 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 -4.839 4.896 2.449 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 -2.137 0.059 0.103 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 -9.784 17.560 15.358 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 3.239 15.864 8.865 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 5.184 -2.662 -2.174 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 1.427 10.138 17.606 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 -15.363 -23.399 -1.001 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 -3.557 3.652 -1.162 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 -8.461 -17.146 -13.415 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 -7.366 -13.732 -4.855 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 -0.867 -3.587 7.880 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 -9.014 9.046 -14.508 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 -10.087 7.210 5.514 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 3.173 -3.961 -0.736 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 -0.990 -12.385 -6.785 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 5.945 3.764 -7.410 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 -3.714 -3.260 4.322 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 -6.087 2.088 26.091 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 13.005 -6.430 -0.574 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 10.480 -8.658 2.438 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 10.396 19.259 25.973 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 -2.353 -18.163 39.134 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 4.275 -4.213 7.116 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 11.924 -11.278 10.389 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 18.749 -16.985 6.660 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 0.239 5.322 -1.631 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 2.340 3.736 0.346 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 12.368 5.717 1.259 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 -5.834 0.455 0.221 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 -6.915 -10.838 9.634 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 6.993 0.920 -5.897 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 0.432 -0.550 2.894 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 -15.545 6.583 1.231 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 -2.706 -4.541 -18.453 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 0.923 -5.356 5.969 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 4.407 9.570 9.698 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 -10.926 -5.591 -3.390 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 0.378 -4.616 0.054 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 -6.511 -0.673 -4.576 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 6.287 -2.132 -3.462 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 -2.366 1.012 1.423 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 -5.443 8.075 0.220 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 -8.012 6.325 -5.731 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 -0.431 -0.347 -1.162 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 -7.917 -6.969 11.982 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 -6.366 29.860 21.484 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 -8.728 -1.311 -1.311 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 0.502 -6.155 -11.769 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 -6.081 -17.756 -0.026 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 0.047 -1.099 5.074 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 -7.327 -7.300 -2.584 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 -3.739 -0.157 -5.188 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 1.311 0.681 -0.861 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 -25.576 6.642 29.933 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 16.285 -13.698 2.358 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 0.040 -0.031 -0.535 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 -4.329 -0.985 -17.588 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 7.400 10.671 -2.051 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 -1.518 -4.329 0.217 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 -13.286 -4.550 -8.290 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 -6.668 5.485 2.968 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 3.815 -5.372 3.469 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 2.320 -17.340 -9.980 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 -6.592 -18.748 9.983 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 4.780 -0.040 -2.628 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 2.004 -18.516 -4.224 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 5.644 -16.334 7.153 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 -2.228 0.312 -0.244 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 4.670 13.994 -19.642 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 16.843 -31.642 28.002 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 0.962 -1.174 -4.051 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 -1.240 -7.244 -8.244 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 -3.577 -18.089 -15.011 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 2.037 -1.098 -5.266 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 -2.463 17.137 -15.708 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 11.327 -1.397 -6.734 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 -1.273 -2.023 -3.464 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 -28.758 -4.608 -2.336 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 23.454 16.658 -18.344 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 2.492 5.481 3.457 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 -4.126 -6.298 24.810 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 -6.670 4.741 -11.409 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 4.555 6.703 3.506 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 -0.218 16.878 7.095 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 12.908 3.344 12.526 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 3.049 -0.369 2.168 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 -2.408 8.702 -8.623 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 10.263 8.647 20.965 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 3.502 -1.734 -2.194 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 21.330 1.457 -3.966 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 -9.355 -1.011 4.043 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 5.967 -6.214 -0.427 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 -0.036 -1.208 -0.978 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 6.389 -10.760 1.890 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 -0.541 0.239 5.389 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 1.518 4.099 -12.145 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 -11.201 -4.520 14.445 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 0.097 -1.400 -0.915 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 -3.549 8.633 9.522 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 8.958 4.602 -9.702 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 3.763 -0.982 -8.946 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 2.714 -0.161 -7.637 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 -16.222 10.385 -0.924 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 -0.331 -7.168 5.388 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 7.179 -9.583 3.268 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 -4.970 4.296 13.227 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 -2.986 -0.622 2.505 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 -10.730 -9.114 30.859 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 -3.712 -8.030 -8.006 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 -2.093 1.789 -0.707 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 8.073 -7.105 3.635 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 5.170 -3.881 1.247 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 -0.649 1.669 -1.114 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 15.708 3.661 4.649 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 4.363 -3.171 -5.596 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 -0.154 0.224 -0.649 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 -14.256 -2.308 -2.198 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 -2.949 0.384 -1.461 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 5.163 0.919 0.036 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 7.652 8.252 10.580 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 8.246 -2.951 2.661 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 -4.219 2.051 -4.151 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 10.327 -14.304 19.985 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 -7.100 3.017 -2.154 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 -1.106 -0.290 -0.983 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 22.874 -1.369 -19.964 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 -18.837 -4.234 19.919 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 -0.747 6.098 3.604 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 16.085 -16.447 -10.208 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 11.041 8.810 8.655 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 1.610 0.580 2.612 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 -21.995 9.925 -18.176 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 -10.475 -6.826 -1.411 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 0.448 -1.589 6.812 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 3.024 -17.745 -10.729 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 31.651 12.299 3.403 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 0.044 0.447 7.140 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 -14.264 -6.349 31.635 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 -14.359 -7.975 27.406 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 0.722 -5.916 0.243 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 18.848 -3.398 -10.533 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 -2.132 -6.798 1.413 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 3.485 5.288 0.013 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 6.078 4.768 2.398 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 15.671 2.151 0.262 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 0.021 -0.174 -5.187 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -10.445 -0.311 -7.473 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 -5.842 0.831 -2.823 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 1.101 6.368 5.201 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 -11.757 1.452 -21.925 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 6.456 17.442 -19.474 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 -0.270 3.163 2.619 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 3.187 34.148 -14.627 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 -4.104 0.227 11.008 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 2.613 0.249 -5.651 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 22.988 7.691 -3.530 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 -24.921 -11.343 -7.488 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 -0.652 -5.957 6.733 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 18.817 6.812 17.090 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 17.697 1.717 3.797 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 8.124 -2.244 -2.084 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 7.011 0.143 5.074 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 2.863 3.078 14.619 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 -5.576 1.579 -9.041 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 -2.714 -6.197 -10.761 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 -0.763 11.951 4.696 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 1.383 -2.148 -2.421 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 4.716 -13.838 -14.818 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 -20.067 12.119 4.255 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 5.426 4.090 -6.238 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 10.360 6.639 8.913 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 -0.005 -0.670 -7.792 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 -9.476 5.049 3.629 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 -13.627 -1.776 1.398 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 -16.989 -14.361 -0.401 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 2.562 0.751 4.638 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 16.459 -6.214 -2.951 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 -5.047 17.111 -1.165 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 -2.662 4.580 -2.791 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 -1.499 4.964 -4.254 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 -10.674 6.271 19.723 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 -1.432 0.177 -1.665 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 0.699 2.147 0.457 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 1.419 -3.192 8.690 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 -3.868 -2.139 -2.294 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 9.774 -11.063 6.644 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 -0.912 -6.178 1.176 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 3.877 5.389 5.126 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 10.204 -16.411 2.360 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 6.927 -0.226 9.045 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 5.178 6.390 0.576 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 36.762 -21.340 13.694 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 35.827 9.253 10.474 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 -3.030 1.335 -1.234 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 16.304 -7.057 25.369 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 6.674 -1.506 4.354 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 -1.120 -5.876 2.039 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 25.067 -8.925 -29.708 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 16.597 -18.856 -9.341 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 4.799 6.927 0.090 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 32.856 -1.454 -9.777 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -25.131 1.213 11.995 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 0.469 0.865 4.957 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 15.759 -12.084 -12.216 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 1.946 16.546 -22.651 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 0.644 -1.230 -0.787 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 3.452 -4.859 -5.688 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 -0.746 -3.058 2.175 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 -3.090 0.708 -2.137 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 -4.479 0.618 -5.144 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 -10.497 -13.509 17.162 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 -3.983 5.542 3.484 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 -6.678 20.199 1.561 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 15.044 9.494 -8.380 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 5.339 5.801 -2.114 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 3.051 -12.027 -15.036 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 5.303 25.915 17.771 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 -2.307 1.171 -3.286 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 2.664 12.617 3.052 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 -4.171 -16.681 -16.374 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 4.806 -1.078 3.502 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 -9.950 -11.834 -17.476 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 3.800 -8.826 -4.523 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 -0.755 4.195 2.044 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 -3.071 16.108 -5.981 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 -16.161 0.496 -0.407 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 4.051 3.463 -4.645 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 0.233 5.675 1.309 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 3.884 4.599 2.141 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 0.514 -4.985 -1.770 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 11.547 -19.897 14.779 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 -8.758 3.552 -16.107 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 -1.983 5.140 -1.342 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 2.598 -7.176 11.095 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 13.131 9.042 -9.353 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 3.346 2.033 -0.761 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 -14.919 -8.048 9.240 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 -18.057 -6.209 -4.422 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 -0.888 2.468 3.206 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 0.398 22.196 0.202 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 5.803 -16.066 6.388 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 -0.294 1.771 2.469 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 -16.552 -6.871 -2.542 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 2.979 9.374 -10.855 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 4.878 4.627 -0.580 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 2.163 4.382 2.625 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 -3.744 3.587 9.928 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 5.148 6.178 0.241 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 6.062 6.141 17.627 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 -8.393 -6.789 -0.447 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 -3.599 6.386 6.051 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 -0.794 -0.864 7.519 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 25.449 -1.241 -13.047 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 -5.508 -4.454 -0.891 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 -11.740 -15.183 15.288 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 13.231 -16.068 -2.429 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 6.420 2.471 1.241 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 5.817 -5.950 2.622 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 3.022 -0.561 -3.659 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 -2.771 -2.936 -8.758 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 -13.745 -3.287 -4.054 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 5.883 4.958 -5.623 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 -7.108 9.638 6.158 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 7.610 5.121 -5.187 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 -3.168 -10.123 3.733 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 0.149 -3.975 -3.085 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 1.403 4.224 5.887 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 11.214 -0.721 2.664 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 -3.681 0.166 1.608 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 -10.955 9.568 -5.556 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 3.653 0.915 0.433 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 -1.954 -0.886 0.116 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 13.083 2.640 6.228 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 0.482 15.413 3.701 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 0.104 1.642 -2.203 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 -11.039 -30.270 4.480 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 3.040 7.697 -4.747 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 -1.778 -0.618 -1.072 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 -15.751 9.106 11.315 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 14.409 -4.224 24.998 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 1.951 -1.769 -6.551 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 5.497 -5.756 -1.319 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 7.351 3.489 -11.832 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 7.541 -3.056 -5.777 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 -2.956 18.852 -2.235 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 10.937 -12.498 -7.695 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 7.283 -7.841 2.530 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 -3.538 -6.142 21.318 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 -1.232 -7.829 -12.881 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 -2.795 -4.496 -2.674 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 9.026 -13.468 8.149 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 -0.975 -0.570 -16.825 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 -0.577 -0.145 -0.949 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 -0.842 -0.415 -1.522 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 -0.698 -5.211 -2.872 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 1.070 2.529 4.102 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 0.396 -12.128 13.153 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 -1.144 -24.446 17.728 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 -0.905 -4.172 3.649 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 -1.122 19.499 0.718 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 20.723 -8.749 13.736 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 -2.954 -3.107 -0.725 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 7.950 13.601 5.454 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 1.964 -23.130 10.820 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 3.181 0.624 5.519 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 16.022 1.352 -6.527 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 9.291 -0.852 -2.922 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 4.028 -4.538 -1.997 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 -2.581 -12.857 0.591 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 0.835 4.862 -15.077 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 -0.860 9.780 -6.342 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 -5.912 10.883 -15.359 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 -1.398 22.965 -20.556 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 -4.552 2.267 3.324 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 2.800 -2.671 -4.614 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 -14.376 -4.717 0.267 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 2.237 0.110 0.523 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 -19.831 12.036 18.522 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 28.810 -7.400 -1.307 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 1.500 -3.699 -3.123 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 3.907 -26.679 8.375 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 -11.055 -15.463 -17.962 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 1.687 -5.081 -2.385 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 6.742 7.423 22.194 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 16.659 -28.895 -1.141 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 2.773 0.461 2.859 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 0.681 12.909 -19.728 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 -15.095 -15.318 4.143 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 -1.815 0.849 2.727 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 -3.774 -1.369 5.042 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 -2.808 2.160 3.405 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 -0.945 -9.683 -0.682 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 -12.557 -1.374 21.815 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 -16.943 -8.410 14.719 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 -3.305 4.909 1.755 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 -1.352 8.735 11.616 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 8.637 0.771 -3.835 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 0.603 0.775 0.655 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 22.494 -6.570 -14.327 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 6.000 11.717 -19.146 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 -1.304 4.749 5.656 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 -12.379 3.013 -18.294 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 -11.952 6.878 -6.348 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 -0.766 -0.490 6.301 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 28.198 25.676 9.831 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 9.087 -23.030 -15.516 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 1.592 -2.228 -2.467 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 31.051 7.007 -8.055 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 -18.255 11.748 24.342 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 0.457 1.301 -2.664 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 15.533 -14.001 1.360 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 25.020 20.166 -10.065 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 -3.142 -4.092 -1.541 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 -4.710 13.404 -4.793 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 -12.215 -6.425 12.843 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 1.126 -2.927 -0.631 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 -22.307 15.086 18.132 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 0.145 -3.160 -1.041 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 -1.677 4.050 -0.748 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 1.574 -1.086 13.601 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 14.420 -19.197 -5.040 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 -0.815 0.976 -3.532 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 -0.964 3.977 -16.385 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 18.919 -10.156 13.140 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 7.855 -9.313 -2.975 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 -9.277 -12.014 4.762 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 8.274 22.646 -1.824 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 4.907 -5.077 11.113 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 7.498 -1.579 6.198 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 -0.947 -23.777 10.277 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 -0.528 4.554 4.701 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 -4.453 5.500 9.821 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 -6.258 9.706 2.498 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -3.511 -6.986 2.091 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 6.438 -9.726 31.447 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -10.677 -8.704 -10.570 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 -8.012 4.244 -1.625 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 -9.545 -7.294 2.127 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 -8.657 12.361 7.466 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 -2.599 -0.825 -6.523 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 -26.997 -2.394 -0.952 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 2.412 -26.284 -10.795 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 -1.596 0.327 2.642 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 -35.821 -13.161 -0.029 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 4.017 25.517 -13.777 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 2.948 -6.077 -4.947 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 -10.109 -13.381 3.658 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 8.631 -6.510 -8.840 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 -1.226 1.821 -6.835 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 8.916 -19.434 -9.612 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 5.924 -9.421 -9.515 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 -0.423 4.258 -0.567 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 -21.928 8.279 5.316 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 -24.414 15.006 11.322 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 1.617 0.596 0.465 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 1.320 2.213 -1.026 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 8.410 -4.349 18.188 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 -9.408 -2.131 0.553 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 -8.747 0.722 -15.497 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 9.976 -11.900 -19.772 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 6.134 8.535 -2.748 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 -41.136 5.253 -17.882 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 20.299 14.537 2.800 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 2.351 -0.235 2.298 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 2.298 1.548 4.043 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 0.746 -0.652 1.689 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 3.223 -5.773 -1.834 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 1.774 -6.344 22.439 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 -7.846 -4.181 -9.749 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 1.471 0.591 -2.600 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 7.309 -9.699 -0.160 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 -16.701 -6.114 -1.884 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 -8.544 -4.109 1.255 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 10.218 -30.489 -2.952 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 15.532 2.862 -1.876 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 -10.289 8.950 2.165 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 -0.924 8.389 -4.990 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 22.519 14.828 -17.046 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 0.794 -5.550 2.113 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 6.592 -18.964 -16.725 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 20.669 -6.186 12.261 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 0.279 -7.679 1.060 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 0.504 0.679 4.835 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 -0.514 -22.670 0.497 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -6.024 4.902 6.213 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 7.262 16.030 -14.803 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 -3.413 7.890 0.322 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 5.099 6.654 -1.552 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 5.346 -10.731 3.744 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 6.079 6.600 17.177 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 2.279 -2.431 -0.303 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 -15.817 -8.564 7.624 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 8.509 1.686 1.358 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 -0.040 2.274 5.122 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 5.744 -9.333 -14.723 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 -10.342 18.200 28.024 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 -2.583 -4.412 -0.775 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 -13.364 -0.145 -16.284 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 -11.428 -10.015 8.268 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 1.689 -6.015 0.475 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 15.493 -10.061 17.302 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 -0.728 -16.727 4.294 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 3.807 1.619 -2.787 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 -23.993 -1.486 23.727 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 22.596 11.233 12.628 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 9.029 0.227 -1.063 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 -6.899 -24.506 -17.534 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 -10.397 2.254 -7.387 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 1.370 -2.534 -1.088 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 21.942 -1.500 -13.407 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 2.657 6.845 18.960 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 0.475 -0.539 8.851 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 3.504 2.506 -3.436 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 -0.563 -3.165 15.482 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 -1.030 -4.566 -3.176 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 7.155 3.166 -5.372 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 12.141 9.821 24.638 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 1.922 9.086 -2.065 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 10.676 7.841 7.281 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 -9.996 -1.056 5.981 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 -0.538 -0.014 -1.172 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 4.395 -12.484 23.337 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 -1.184 -1.900 -5.647 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 2.978 -4.750 -7.532 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 7.996 6.784 -15.932 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 12.506 8.909 -18.495 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 -0.963 3.381 -2.463 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 2.521 10.839 -1.472 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 16.180 46.990 4.339 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 -0.990 -3.175 1.319 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 13.624 11.348 -9.780 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 -9.819 12.545 -14.466 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 5.199 1.803 -0.181 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 -6.118 4.034 -2.501 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 3.614 1.949 -0.928 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 0.650 -2.132 3.830 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 -8.845 12.080 7.588 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 -1.149 0.120 4.671 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 6.710 -3.089 5.651 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 -3.679 15.248 -8.618 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 1.491 2.612 7.002 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 5.490 -4.411 7.210 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 0.043 -10.827 7.274 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 11.204 -1.239 7.049 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 0.708 1.309 3.505 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 26.801 1.586 6.732 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 0.319 6.087 8.528 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 3.123 1.360 -5.917 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 1.260 10.061 0.882 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 12.280 2.079 -5.862 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 5.960 -0.740 4.333 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 5.705 2.345 -0.729 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 -9.458 -5.950 -5.718 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 1.975 -2.319 0.462 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 -10.140 17.232 -2.112 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 -4.054 -8.923 -16.528 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 2.229 -2.048 -8.106 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 -6.938 -9.820 3.761 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 0.542 36.531 -2.612 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 -0.819 -1.563 3.915 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 20.716 -7.139 12.156 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 -9.376 7.390 -7.269 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 1.426 3.274 -5.540 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 -5.168 3.723 -12.983 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 -2.015 -4.993 3.794 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 3.305 1.401 -1.538 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 -3.972 0.591 -3.577 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 -14.124 -1.852 4.618 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 6.368 0.318 5.101 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 -0.983 15.492 -6.835 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 7.517 -2.256 14.828 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 4.099 2.550 5.733 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 -5.005 -33.457 1.910 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 -3.983 2.132 -3.953 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 -1.228 -1.794 -0.975 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 -9.397 11.264 -15.622 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 9.293 -7.021 22.448 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 6.931 0.767 -2.525 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 -2.675 -3.436 -12.496 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 -13.870 -5.995 -11.628 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 1.120 5.301 3.651 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 -12.068 -10.467 -1.391 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 9.833 -7.417 14.126 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 2.667 4.237 1.493 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 -2.414 -4.757 -5.715 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 -7.978 3.003 0.951 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 1.565 2.235 4.153 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 -5.529 -10.252 -14.125 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 -10.749 6.759 9.980 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 -2.487 0.025 -7.685 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 -2.474 -20.126 17.776 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 -7.550 4.781 -10.053 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 2.328 3.270 -2.152 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 9.682 13.424 0.155 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 -3.481 6.290 -5.002 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 4.027 1.477 -2.890 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 -5.488 13.008 9.517 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 7.601 6.174 20.232 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 -1.040 6.105 -1.065 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 8.074 5.684 35.705 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 -34.540 11.347 12.300 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 -8.663 -0.438 -3.503 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 -8.677 -2.042 -2.430 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 -14.588 -2.418 -12.794 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 8.307 -2.789 -0.688 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 -9.290 21.518 12.997 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 6.802 6.049 5.278 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 3.336 2.321 0.665 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 6.765 -4.650 11.847 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 1.606 4.422 -1.773 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 1.995 -1.430 1.383 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 -4.542 -7.203 17.969 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 5.346 2.489 -15.365 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 -1.606 2.361 2.843 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 1.817 0.567 4.957 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 -6.183 1.953 -4.653 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 4.691 -5.563 -2.982 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 11.935 -14.923 15.353 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 10.120 10.505 19.542 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 0.052 1.706 2.139 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 8.836 0.709 11.617 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 8.884 -8.767 -16.254 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 -1.666 -0.911 4.497 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 3.044 9.049 -3.475 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 -10.773 8.849 11.241 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 -0.083 -1.749 -6.572 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 14.435 -2.058 -2.129 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 -5.460 11.608 -4.688 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 -2.480 -3.953 -2.472 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 10.117 -18.387 21.030 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 5.262 22.217 2.137 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 6.035 0.278 2.114 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 9.673 -8.392 -6.563 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 12.558 11.332 0.639 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 -0.715 -2.260 1.298 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 -4.001 7.635 8.545 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 5.077 -24.822 -13.988 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 2.768 -2.654 -1.334 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 5.594 2.352 -0.304 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 -2.065 -13.898 -11.559 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 1.371 1.828 0.905 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 -2.858 24.307 1.513 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 -1.935 -0.476 -16.167 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 -0.015 -2.427 -4.575 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 2.170 4.656 -4.926 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 12.096 -1.492 -8.430 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 2.448 2.269 -1.662 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 1.929 -0.903 10.421 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 10.282 -11.171 19.746 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 3.051 -7.482 -6.664 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 -5.789 -3.607 9.730 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 0.260 -9.182 2.140 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 -0.196 -5.299 -1.706 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 8.574 -18.291 -1.473 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 -3.389 -1.606 -1.864 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 0.817 -0.788 -4.768 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 -0.324 -9.840 -10.737 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 5.326 -7.427 -7.049 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 0.685 3.472 -0.267 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 -6.212 -21.276 -9.901 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 2.250 10.731 3.722 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 6.777 1.805 -1.929 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 12.772 5.634 -6.946 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 -10.871 -5.250 9.661 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 -2.398 4.505 3.978 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 15.854 -23.294 22.673 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 16.233 21.349 -20.862 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 -2.046 -2.134 3.984 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 -11.481 -10.947 2.456 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 -0.511 -11.012 16.283 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 0.686 4.031 3.780 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 1.472 0.952 0.772 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 -1.138 6.529 4.240 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 -2.081 1.426 1.576 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 -7.383 1.681 -8.504 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 12.851 -3.863 7.258 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 -0.703 -2.341 -2.427 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 -13.280 10.733 -5.855 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 6.206 -8.589 -0.754 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 -0.447 -0.700 -1.344 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 -9.825 2.549 13.163 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 0.787 4.836 5.377 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 -3.065 2.027 -6.408 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 6.771 -8.913 -19.060 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 1.998 -1.988 -22.282 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 -1.456 -3.824 -0.244 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 4.306 -7.272 -4.349 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 -24.146 21.397 -12.521 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 -3.540 -5.384 -8.226 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 -5.472 -6.722 -3.351 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 -4.229 -2.176 -0.288 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 0.562 0.755 -0.264 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 0.156 -17.842 7.050 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 7.352 31.129 -20.925 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 0.798 0.476 7.567 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 -9.723 -8.153 9.912 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 -14.481 -1.250 1.097 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 -2.626 -5.930 -9.704 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 5.372 5.609 -19.784 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -13.920 1.943 -3.152 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 -4.942 -2.020 8.101 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 16.936 -2.634 -9.588 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 27.438 26.144 7.867 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 0.149 2.247 -0.515 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 -6.216 15.143 7.328 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 -43.982 22.713 -7.046 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 -2.771 8.305 -3.488 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 -18.270 -22.779 -15.155 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 -18.328 -27.216 -0.870 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 -0.025 2.221 -0.282 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 -6.389 7.605 2.192 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 -3.146 -5.978 1.194 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 -4.084 -1.027 -3.216 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 -26.006 9.341 -10.282 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 -11.374 5.034 5.369 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 -1.950 -3.888 4.218 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 -3.348 4.306 -16.970 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 -4.522 5.792 -17.497 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 -10.893 3.073 -1.904 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -14.256 0.757 -3.352 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 -14.769 5.056 -0.759 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 3.434 0.335 -1.176 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 6.627 -8.238 -6.891 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 5.640 12.355 26.752 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 -4.767 6.836 -3.172 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 -6.411 5.413 -2.075 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 -3.270 -1.177 -9.619 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 0.375 -2.651 -2.969 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 -8.588 1.455 -11.467 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 -3.732 4.150 -1.370 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 2.567 -5.225 5.782 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 -15.266 12.459 15.855 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 3.994 -7.121 -0.508 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 -0.055 -5.215 -2.143 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 -2.408 -12.434 8.009 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 -7.087 3.036 0.403 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 2.341 8.652 -2.796 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 1.557 -12.641 4.199 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 -5.919 -11.061 16.302 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 -2.783 3.169 2.976 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 4.042 5.568 -22.471 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 -9.906 13.582 -9.177 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 -2.839 -2.655 1.542 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 -3.590 -0.994 6.801 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 5.554 12.139 3.890 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 -3.543 2.870 -3.189 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 -32.902 -21.842 5.857 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 4.159 32.838 -1.888 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 0.571 0.288 6.352 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 -21.292 -5.326 17.966 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 -2.638 -1.169 14.052 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 -4.234 -1.887 -3.043 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 -25.672 -8.841 8.053 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 12.077 -5.036 6.850 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 4.724 1.654 -1.573 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 10.225 6.733 -3.293 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 15.773 17.592 -1.981 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 1.165 -0.624 -0.158 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 -5.095 -4.781 -8.122 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 -16.979 22.983 -15.826 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 5.134 4.941 -1.702 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 0.233 -1.789 2.588 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 13.305 5.115 5.361 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 -2.810 -2.122 3.667 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 9.013 -3.086 11.986 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 -19.021 5.985 -3.993 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 0.835 -3.979 1.936 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 -1.647 7.088 22.512 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 1.944 13.510 -13.393 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 -3.171 -3.814 1.584 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 -1.932 -0.966 5.001 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 -0.355 -3.948 17.214 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 4.626 -1.008 4.614 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 2.571 11.313 21.998 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 3.380 7.193 16.203 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 0.118 2.055 6.931 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 7.608 -2.725 39.460 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 -3.282 -30.894 5.531 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 -2.534 4.967 4.029 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 -20.506 -12.992 1.070 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 6.086 -10.169 -23.083 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 4.159 1.438 -1.119 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 1.972 0.561 2.749 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 7.486 2.127 0.249 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 3.213 -0.271 4.469 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 6.197 2.691 -2.589 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 15.004 -6.433 -9.286 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 1.066 -3.163 -0.430 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 7.022 -6.405 1.082 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 -14.241 0.086 -4.878 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 -1.559 -5.279 -1.064 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 13.975 1.121 5.086 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 23.595 -0.591 -0.830 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 -6.010 -0.369 -3.803 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 -7.066 -2.871 -22.114 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 -8.110 -0.734 11.819 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 3.871 1.490 2.502 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 -4.880 -10.450 20.488 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 9.960 0.716 -2.286 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 -0.226 -1.214 0.324 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 -0.707 5.069 5.405 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 -5.335 6.587 5.768 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 -6.334 4.061 -0.422 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -1.940 -12.772 -1.358 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 -19.913 14.695 4.976 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 -5.774 0.251 -1.349 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 7.853 -18.642 -19.789 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 -10.771 -25.661 -18.977 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 3.960 -0.851 -1.643 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 31.145 30.287 1.254 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 10.998 -4.138 -6.145 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 2.236 -3.595 1.191 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 1.340 12.259 0.197 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 -9.882 -8.597 -6.423 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 -4.422 -2.434 0.528 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 -6.463 -4.263 2.607 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 -0.981 -0.245 -7.006 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 -3.954 -3.034 -3.572 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 -4.783 -14.907 -0.410 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 -3.502 8.850 -6.536 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 6.976 -0.127 -4.188 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 17.511 7.928 11.491 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 -5.285 -7.661 -21.878 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 0.926 0.880 -2.646 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 -7.882 -2.867 9.169 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 14.605 10.269 -22.662 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 -7.436 1.370 -1.832 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 0.541 -7.016 9.350 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 13.974 7.890 -15.557 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 1.904 0.946 -1.303 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 -1.367 -24.850 -12.398 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 -3.953 17.001 2.192 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 0.582 3.420 -3.815 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 -2.496 -5.906 -1.299 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 40.442 5.601 -18.044 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 6.500 2.113 -2.227 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 7.730 -0.391 -0.127 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 7.062 -6.679 6.213 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 0.397 -3.075 1.499 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 -14.842 -1.643 -4.745 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 11.515 8.406 5.699 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 0.733 4.226 -3.660 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 -0.861 8.275 -2.381 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 0.980 3.570 -3.789 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 -0.181 -3.123 4.841 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 -4.523 0.335 -1.396 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 -17.453 21.369 14.511 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 4.220 -2.465 -3.968 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 -4.183 -1.338 4.207 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 -2.968 -2.083 11.736 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 -0.556 2.004 -4.001 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 -4.342 -11.093 -4.175 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 -18.781 11.565 -2.835 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 -3.583 5.846 1.785 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 -29.141 -13.456 -0.238 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 -15.292 -2.553 1.264 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 -0.408 -2.458 4.011 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 0.393 -2.628 15.115 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 -2.530 2.161 -3.429 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 0.636 -4.218 4.639 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 9.977 1.541 0.927 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 3.875 -17.579 8.906 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 5.039 2.040 -10.507 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 10.949 -2.908 11.286 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 6.779 5.511 -10.102 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 -3.539 5.226 0.537 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 0.417 -20.888 -10.950 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 3.971 31.278 0.321 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 3.287 -0.501 8.442 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 6.253 20.677 -16.027 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 12.970 7.692 3.706 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 6.840 -5.971 2.352 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 18.617 -1.719 14.493 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 -0.609 15.626 -5.903 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 -7.489 0.894 0.438 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 -8.201 -2.754 -6.045 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 -14.124 6.980 5.131 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 1.564 1.351 1.977 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 -1.774 -25.991 -12.913 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 -4.247 2.473 -2.975 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 0.777 -4.478 -6.032 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 -4.014 -23.990 -3.453 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 -16.018 -10.083 4.814 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 -0.328 -1.571 -1.991 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 -5.065 -7.972 -17.032 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 -37.253 0.691 -15.013 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 -4.824 -2.753 0.359 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 -0.182 -3.882 6.922 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 -2.160 6.504 -0.229 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 -0.770 6.986 -2.225 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 -12.349 14.095 4.495 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 -3.011 -17.282 24.051 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 7.667 6.293 2.647 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 10.538 7.603 4.641 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 3.677 7.854 -0.988 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 -2.829 -0.461 0.068 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 -7.495 -12.483 7.663 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 15.846 24.481 -20.101 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 1.386 3.879 -7.646 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 -10.662 -3.313 7.801 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 4.994 -1.782 -18.113 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 2.081 2.140 1.782 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 9.637 24.333 2.472 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 -5.027 -29.962 -17.605 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 -0.570 -4.091 4.372 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 -1.500 -14.362 8.734 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 -4.983 -17.002 -3.077 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 0.811 6.525 -2.215 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 5.814 10.743 -15.898 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 -0.806 2.551 4.519 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 1.043 -1.965 0.983 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 4.987 -3.910 1.818 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 14.196 -6.505 6.027 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 -0.318 -0.443 -3.179 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 -9.432 1.629 16.420 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 12.094 -11.754 -5.614 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 2.193 2.266 -2.160 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 -12.582 -8.918 -4.325 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 -1.138 10.376 -24.539 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -6.653 2.924 0.661 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 -4.095 -8.645 -19.062 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 -14.796 3.373 -7.745 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 3.673 -6.077 -3.379 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 23.929 23.764 -1.725 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 -9.802 -22.794 7.243 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 3.654 -1.089 1.116 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 -33.670 6.996 -32.409 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 -10.216 1.584 26.970 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 -4.959 -7.991 -1.605 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 -0.889 3.670 14.763 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 22.433 -22.055 18.064 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 -6.575 0.107 -2.757 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 -2.560 -0.168 -12.648 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 -16.686 -0.185 -0.193 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 2.367 -0.029 -1.090 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 -25.504 -7.115 12.631 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 -8.585 -6.391 -8.692 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 -7.508 -2.570 0.048 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 18.228 -11.957 12.223 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 23.537 8.634 -1.728 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 1.494 -2.374 -0.144 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 -4.446 7.672 0.520 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 -15.839 5.709 -1.467 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 -3.400 1.446 0.063 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 1.418 7.014 9.710 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 -16.468 0.741 -3.545 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 -3.527 3.090 5.847 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 19.584 -5.899 4.737 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 -12.677 -4.013 -2.157 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 -2.896 0.190 2.395 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 0.981 -18.683 10.601 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 -7.996 29.970 -12.058 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 2.786 -2.680 -7.050 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 -5.491 7.242 11.304 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 9.533 10.163 0.583 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -3.317 1.353 1.585 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 -27.757 13.701 -0.529 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 18.123 -7.085 24.380 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 -2.556 -3.803 -6.119 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 2.003 -12.614 9.794 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 0.214 -6.286 -12.101 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 -4.683 0.519 -6.723 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 -2.422 -2.626 -10.234 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 -3.494 2.946 3.109 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 1.119 1.687 3.863 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 6.230 -4.100 1.676 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 -10.765 9.577 5.727 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 5.251 4.539 -1.031 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 -15.332 12.118 18.304 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 9.662 -20.761 -19.308 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 0.188 2.075 -1.870 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 -21.255 24.457 -4.812 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 30.561 -16.354 14.982 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 1.748 -2.943 6.052 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 13.219 -15.622 2.730 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 -6.869 6.819 -1.030 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 7.792 0.043 -4.832 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 5.275 -0.867 -17.370 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 13.873 -0.447 -12.957 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 3.915 -4.090 -2.747 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 10.348 -2.435 7.428 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 -1.995 3.621 -21.512 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 0.503 0.867 -3.989 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 -2.361 8.078 -24.463 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 15.502 12.266 -14.793 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 4.296 2.927 -6.081 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 -12.059 -16.821 -0.606 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 -12.354 20.648 -22.516 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 4.366 5.822 0.635 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 -11.339 4.337 -8.820 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 6.018 -11.440 13.920 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 -7.121 0.474 -3.587 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 -6.489 -3.001 5.891 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 -9.214 -7.982 -10.193 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 -7.234 -5.198 2.458 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 -9.020 7.694 25.568 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 12.450 -11.624 -1.982 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 -2.968 4.422 5.145 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 -1.556 8.632 -13.776 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 10.370 -8.960 3.160 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 2.055 -5.760 2.075 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 -0.362 -8.172 -12.048 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 -2.020 -15.150 0.003 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 4.286 2.028 -0.220 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 10.095 -12.680 -20.905 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 8.424 -0.292 -15.598 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 -4.745 -1.591 2.939 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 2.557 -0.435 -2.192 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 22.674 -11.519 -4.536 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 -3.277 0.494 -1.633 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 2.619 -4.368 -1.396 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 -0.009 -4.365 -2.756 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 1.414 -0.283 -3.686 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 3.756 -8.555 -7.428 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 15.704 5.807 -0.818 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 -3.900 1.986 -6.849 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 5.996 0.229 -1.605 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 10.387 17.275 -11.394 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 4.344 2.819 -2.947 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 -9.787 7.511 -2.355 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -16.486 -10.513 8.138 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 5.406 4.472 2.490 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 4.292 -22.241 15.984 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 21.331 11.145 13.629 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 -6.850 8.161 1.187 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -12.917 -9.964 4.892 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 -6.277 -2.110 3.670 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 -0.339 3.992 -4.122 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 11.007 -0.602 3.105 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 -3.175 15.344 8.508 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 6.956 -3.026 -1.494 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 18.297 -10.657 -23.294 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 13.992 -7.936 -19.473 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 3.274 4.027 -0.634 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -4.496 11.351 -11.972 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 -4.709 9.190 -21.400 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 3.467 -0.256 7.235 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 13.751 -17.793 -6.673 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 13.330 -11.309 -2.851 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 -1.834 -0.470 -2.096 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 -9.674 -28.383 8.238 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 -10.046 2.392 8.024 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 -3.703 1.751 4.425 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 -2.668 36.795 23.001 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 -0.387 -1.441 -1.278 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 1.087 0.931 -2.932 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 -28.193 7.310 13.438 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 -4.908 7.930 13.028 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 1.618 8.482 -0.628 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 7.289 -3.235 -4.742 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 -3.301 33.650 11.095 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 3.204 -3.129 3.186 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 9.827 -8.686 2.325 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 -28.927 4.013 2.476 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 0.163 -2.510 3.947 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 -21.598 24.346 0.843 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 4.303 -10.493 3.915 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 -1.776 -1.580 -7.702 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 5.003 22.566 -7.732 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -4.535 16.768 -23.022 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 -0.770 -3.016 3.654 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 16.986 7.425 19.957 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 -2.027 -5.543 7.955 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 -6.529 -0.681 -0.986 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 2.979 6.399 -12.603 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 8.267 1.254 -11.511 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 4.958 1.763 -2.973 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 10.560 8.580 12.332 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 8.858 3.742 3.991 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 -4.187 -1.181 -3.127 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 25.340 3.603 10.217 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 -10.140 0.321 -4.044 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 0.142 1.781 6.462 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 3.105 -1.887 12.223 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 15.529 4.341 -7.925 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 -4.892 0.869 -0.012 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 -13.180 8.770 -0.124 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 -0.540 1.448 -11.419 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 3.382 3.832 2.623 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 -7.772 14.900 -5.356 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 -5.215 -32.200 13.746 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 3.726 -4.527 7.878 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 27.151 -7.079 3.047 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 18.002 -3.764 -13.270 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 -1.664 0.481 -1.727 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 12.791 -4.871 4.426 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 -6.303 -4.869 -3.865 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 -0.750 -0.589 1.985 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 -2.838 -7.102 10.651 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 -5.658 15.897 0.978 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 1.917 -4.698 6.853 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 0.008 -10.763 2.864 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 -12.375 -3.834 -0.138 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 2.988 -3.068 2.919 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 0.952 -9.385 14.045 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 5.328 -1.508 -6.209 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 -1.868 0.849 -3.278 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 -12.613 -6.375 -18.199 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 -9.869 7.779 11.821 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 -4.177 -1.144 -4.077 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 -7.466 -4.331 3.051 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 0.596 2.305 -9.735 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 -1.192 0.493 5.401 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 0.776 -8.378 0.714 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 0.781 -7.710 1.193 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 -0.876 0.069 2.869 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 21.851 -10.209 6.458 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 12.366 -8.981 7.602 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 -2.634 -1.955 -5.318 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 -2.265 -10.881 2.037 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 -3.108 0.883 -30.681 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 1.932 -2.781 -0.490 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 -7.597 10.777 14.030 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 2.757 5.142 4.423 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 10.341 2.462 4.769 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 6.150 -2.538 3.901 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 7.274 12.623 19.393 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 0.681 6.296 -6.545 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 13.729 16.701 10.236 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 -18.364 -3.321 6.204 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 -0.883 -1.085 6.535 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 3.205 1.672 -4.541 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 8.451 -2.373 0.801 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 0.642 5.365 -3.613 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 -2.635 6.300 4.345 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 6.094 -0.825 -1.915 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 3.753 3.621 2.250 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 6.506 10.237 -5.419 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 -6.533 -5.237 29.336 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 -0.604 0.860 4.425 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 -10.229 -17.446 3.528 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 11.058 17.646 8.677 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 -3.461 1.815 -0.979 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 1.466 6.576 -3.524 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 -10.720 2.306 0.748 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 -2.457 -3.270 -6.585 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 -3.312 -1.923 -6.973 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 -6.726 -4.746 -4.283 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 -0.728 0.214 -1.129 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 -8.869 -6.107 2.669 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 7.350 6.772 9.982 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 1.034 -1.751 -2.253 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 20.544 -7.636 -6.589 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 19.730 -5.861 -2.666 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 9.778 -1.128 3.377 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 -16.006 -3.764 12.462 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 35.691 -8.750 8.691 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 -1.509 -1.056 -0.658 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 -11.639 5.061 -10.014 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 8.179 -5.137 21.801 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 -9.571 -2.855 -2.719 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 -5.618 12.231 8.785 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -24.758 0.201 -7.909 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 4.191 1.954 -2.863 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 -1.823 -25.947 -4.275 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 -1.581 25.852 -8.563 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 8.565 2.645 -3.814 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 12.570 0.683 -11.154 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 16.492 3.827 -15.329 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 -1.877 0.793 1.887 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 -1.512 1.980 -2.603 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 -5.499 -3.992 -7.061 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 4.375 -2.964 2.014 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 20.801 0.747 7.697 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 8.286 17.705 -12.141 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 -0.240 1.639 2.362 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 13.339 -2.314 -13.994 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 1.614 -0.662 1.573 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 5.488 5.025 0.859 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 -8.340 5.969 -8.712 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 14.079 -25.657 -1.394 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 5.135 0.161 4.901 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 14.409 11.542 -23.445 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 15.770 16.958 -10.770 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 1.140 7.194 0.603 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 -12.492 -7.157 0.076 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 -10.960 29.419 3.325 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 -2.638 -1.827 -3.314 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 -7.713 -12.910 0.345 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 11.456 22.531 -11.700 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 -5.718 -1.956 -1.334 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 6.062 -14.303 12.917 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 -1.807 3.170 22.488 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 3.737 -4.191 4.237 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 2.821 -4.783 1.213 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 -9.193 0.515 -9.824 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 0.238 3.668 4.450 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 1.834 4.950 -3.868 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 -6.827 4.355 10.683 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 -0.595 3.515 -6.116 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 -5.149 -6.862 -9.153 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 11.451 4.250 -11.857 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 -0.333 2.043 -1.810 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 -2.143 -3.354 2.626 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 3.222 -23.693 -21.591 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 -0.264 -11.327 -2.388 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 5.219 2.378 1.222 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 -2.244 36.618 5.463 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 5.429 -8.409 1.804 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 2.944 -13.311 -1.214 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 -1.854 -18.453 -5.731 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 6.919 -0.393 -4.086 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 5.746 -3.763 4.706 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 2.682 0.989 -0.373 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 -2.978 -3.818 -0.955 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 -4.392 -22.530 12.387 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 -3.588 -10.298 0.927 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 -11.646 -5.481 -0.316 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 8.403 15.384 -11.394 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 -1.796 -1.440 -13.363 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 -7.707 2.185 -6.668 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 15.176 11.771 -11.839 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 -21.254 -8.400 20.298 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 -1.847 1.912 4.417 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 -11.871 15.028 11.660 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 -1.147 25.925 6.447 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 0.968 1.436 4.328 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 12.755 -12.809 -2.732 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 -10.739 -3.666 -14.996 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 -1.142 -3.094 -0.156 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 -1.693 3.575 13.728 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 0.933 -9.664 -20.801 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 -2.553 5.409 3.722 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 -9.533 0.903 5.757 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 15.706 1.572 4.966 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 1.572 -1.011 -7.868 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 0.350 -7.766 2.963 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 1.860 -1.413 -6.061 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 -6.195 2.222 -1.874 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 -19.972 30.504 9.736 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 0.756 5.721 -29.367 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 3.951 1.995 -0.212 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 16.886 0.717 5.512 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 2.261 0.079 -3.827 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 -0.091 4.215 5.068 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 3.530 7.314 4.180 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 -0.788 6.612 6.196 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 2.402 -11.260 0.512 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 8.209 -16.830 13.666 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 0.748 -2.112 -7.764 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 -2.622 -4.358 -2.475 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 8.527 1.736 -17.974 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 -1.809 -6.378 0.031 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 -1.176 3.067 2.393 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 2.712 -6.577 -10.429 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 -13.700 -2.960 7.064 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 10.127 -2.886 -0.119 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 21.455 2.322 -0.677 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 2.893 4.071 -8.395 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 -3.162 -0.788 -5.782 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 -5.722 -19.213 -2.454 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 -20.108 13.582 10.488 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 -1.012 2.008 -4.798 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 -4.890 3.231 9.215 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 -4.356 3.734 -12.158 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 -1.438 2.823 -2.092 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 5.730 28.604 -6.220 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 31.286 -19.028 -9.671 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 -3.398 -1.445 -0.007 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 -4.587 -6.431 7.455 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 15.181 -10.207 5.015 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 3.643 1.400 4.595 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 -1.555 -5.775 -19.142 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 21.700 15.437 -6.900 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 -1.574 4.744 0.510 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 -2.036 7.193 -3.186 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 -23.655 -0.250 23.286 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 -4.396 -0.528 -3.939 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 -8.845 0.061 -7.118 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 -0.140 -4.181 3.661 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 2.368 3.312 -0.231 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 -12.942 8.559 0.689 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -30.208 13.752 3.428 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 -1.451 -8.714 -3.822 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 9.559 9.308 22.512 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 -5.946 -6.488 10.231 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 -2.633 6.221 2.701 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 14.643 -0.085 -1.756 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 -12.337 -7.448 -0.696 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 1.522 0.945 2.805 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 12.361 4.429 18.841 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 -0.557 -1.360 -22.471 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 -2.281 1.653 -3.053 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 -6.644 -8.788 3.317 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 -9.719 3.529 12.732 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 -4.715 -0.819 -2.327 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 0.182 8.672 -15.702 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 3.162 6.968 7.319 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 -1.632 2.300 -6.159 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 -13.400 12.861 -18.772 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 -2.939 -3.736 -0.936 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 5.712 2.536 2.891 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 10.005 4.982 -0.875 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 -19.948 5.742 5.695 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 -2.446 -0.853 -6.040 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 -0.340 -0.389 -7.015 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 1.998 4.527 -7.265 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 2.476 1.507 3.975 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 -0.112 4.385 -6.801 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 -0.095 -9.735 6.045 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 5.502 -2.550 -2.409 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 19.050 19.574 -20.959 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 -2.269 -5.852 5.384 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 -2.182 -2.272 -0.005 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 3.869 -0.585 -8.531 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 5.669 -11.853 3.119 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 -1.360 3.387 -5.209 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 6.947 22.056 1.532 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 10.155 -12.227 5.655 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 1.274 -1.900 6.292 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 4.385 -2.264 5.070 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 19.781 -3.141 4.436 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 5.738 -4.690 -3.006 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 -5.117 -30.502 0.349 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 -7.778 -19.189 9.707 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 -3.845 -3.840 -4.398 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 7.898 -0.096 1.037 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 -12.152 -3.288 4.245 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 1.753 0.968 -4.456 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 0.901 3.550 -4.891 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 -2.489 10.211 7.160 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 0.945 8.224 -0.450 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 -8.801 11.311 -34.028 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 26.327 22.589 2.306 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 6.694 1.766 0.731 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 13.058 -6.614 16.731 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 12.672 10.957 1.732 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 1.657 -0.068 -4.864 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 -0.087 0.083 -4.260 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 -9.271 7.929 -17.371 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 -1.682 -2.125 -7.110 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 4.875 -7.209 -11.660 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 15.137 -14.566 -9.144 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 -1.124 1.242 -0.965 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 -1.225 7.411 -12.251 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 -1.191 2.681 -4.801 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 -0.359 2.318 3.071 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 2.088 13.270 -16.834 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 11.032 11.784 -0.368 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 0.292 -4.944 3.538 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 0.216 8.887 0.364 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 -19.830 6.345 -5.891 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 3.192 -7.889 5.999 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 7.642 -1.566 -3.827 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 7.867 1.742 -9.377 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 -2.409 -0.513 -3.694 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 4.366 -5.398 -5.388 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 -2.786 0.117 -2.295 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 -2.628 1.316 -2.262 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 -7.678 -0.844 2.704 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 1.262 -0.372 -24.345 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 4.564 -1.809 1.893 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 -0.368 -7.130 9.241 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 4.072 -0.213 5.993 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 0.866 1.473 3.762 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 -22.061 -13.748 -7.498 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 -11.964 1.520 15.115 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 -2.502 -0.364 4.140 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 15.192 6.288 15.176 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 -0.012 -17.783 -4.130 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 -2.232 3.348 -4.261 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 12.397 -22.712 0.502 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 -17.834 -4.487 -2.148 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 1.098 -3.154 4.961 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 10.644 0.126 21.200 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 21.219 34.114 -17.519 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 2.333 1.378 -6.610 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 2.324 0.022 -9.650 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 5.384 0.793 -5.138 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 3.190 -3.066 0.297 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 18.103 -6.450 -11.486 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 17.565 4.555 -12.485 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 -5.274 6.148 5.622 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 -13.210 -14.544 5.194 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 -23.013 -7.812 10.033 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 -1.125 0.340 7.344 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 -13.299 3.291 -20.866 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 -4.661 3.704 -2.132 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 -2.124 -5.301 6.581 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 -10.496 -13.280 14.585 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 -3.126 3.762 -18.601 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 -3.023 1.212 1.733 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 -3.188 9.242 -9.923 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 -13.283 4.560 24.910 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 5.113 -2.268 2.038 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 14.037 5.171 -11.185 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 -4.878 2.091 13.516 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 -6.085 0.053 -2.103 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 -11.528 13.417 -16.282 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 -21.950 0.155 19.412 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 -0.699 2.300 -5.288 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 20.381 11.267 13.238 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 -13.320 -6.981 -9.310 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 1.583 1.925 3.308 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 10.936 12.647 22.616 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 -12.202 -13.674 16.412 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 -1.259 -3.945 -5.914 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 -18.915 2.480 -2.896 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 8.536 4.063 -4.747 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 -1.795 -1.703 -4.963 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 -13.129 5.020 -17.064 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 26.698 -9.980 0.502 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 3.216 -0.028 1.497 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 -1.232 -0.470 -10.257 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 22.566 9.641 0.081 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 -3.686 4.481 -2.797 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -5.354 6.354 -2.542 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 -9.817 4.541 -11.003 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 -2.002 -6.789 3.010 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 22.823 -10.465 -2.209 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 25.425 24.065 21.256 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 -1.749 0.962 0.962 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 4.604 1.831 -8.806 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 -7.087 0.743 8.371 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 -0.967 0.857 0.479 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 -3.542 -6.607 5.891 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 4.077 4.750 10.893 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 2.425 2.904 0.915 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 12.158 15.933 -2.539 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 -19.104 -12.716 11.296 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 2.954 2.947 -1.047 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 -0.430 3.896 -2.119 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 -5.054 4.066 -4.773 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 1.944 -1.339 5.249 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 8.834 -1.999 -26.937 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 5.116 14.115 -14.762 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 5.534 -4.470 -8.834 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 -2.032 -8.563 -3.060 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 -10.084 -12.998 5.311 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 3.305 1.556 1.491 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 5.302 8.756 3.366 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 -1.044 -0.573 -23.761 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 5.747 0.559 0.396 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 14.115 1.027 5.151 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 3.086 15.049 2.571 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 -9.671 -2.744 -3.452 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 -0.923 1.055 0.748 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 -8.358 -0.422 -1.236 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 -5.639 0.685 -3.190 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 -12.846 -27.050 11.685 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 -2.851 -10.609 -4.259 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 -0.154 -1.344 -5.476 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 7.738 15.775 -26.161 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 2.446 7.153 -10.102 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 3.916 1.412 -2.460 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 -12.181 -1.090 4.950 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 12.596 -20.561 2.671 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 2.193 3.108 -5.365 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 10.350 5.323 -16.231 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 -19.644 3.093 4.880 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 -1.450 2.697 -2.144 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 -2.703 -7.125 -4.649 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 0.693 13.154 0.839 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 -3.097 0.305 0.113 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 -4.310 4.465 6.936 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 -2.080 -6.988 16.613 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 -5.832 2.067 1.529 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 18.181 -2.794 -5.793 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 3.407 -0.355 -0.685 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 5.013 7.378 -1.106 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 20.491 4.288 -0.591 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 -2.960 -19.272 19.757 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 0.684 -0.270 -1.010 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 18.332 15.477 -13.201 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 26.925 -7.281 15.447 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 -2.198 0.915 1.020 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 5.964 -15.929 -9.818 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 -22.531 -3.938 2.485 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 -3.496 -1.880 -1.002 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 3.427 -5.975 -11.201 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 -16.971 0.722 18.870 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 -0.925 0.932 -11.056 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 -3.317 5.643 -8.051 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 -0.894 2.333 -5.768 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 -2.171 2.404 1.469 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 -8.127 4.662 2.454 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 -0.835 -2.897 11.603 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 -1.080 -1.230 4.042 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 -1.836 5.316 -14.420 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 -3.180 4.086 -0.632 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 0.230 5.845 7.400 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 17.304 10.430 -10.457 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 3.417 5.400 17.125 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 -5.089 5.003 -3.913 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 7.599 -2.118 3.786 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 -12.826 11.582 -9.121 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 -5.947 -0.207 -2.293 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 -10.833 0.329 2.716 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 -0.298 -4.632 -14.315 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 1.644 -2.001 -0.161 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 -1.455 3.986 19.169 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 22.661 -2.361 -1.947 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 6.699 1.558 1.701 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 10.340 -9.958 -17.680 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 20.023 5.248 9.842 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 -1.709 -0.108 -4.666 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 19.845 7.266 -10.514 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 26.939 -2.413 -11.510 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 -3.329 -4.119 -2.446 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 4.902 -19.690 -15.752 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 -13.507 10.506 3.385 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 -1.530 -1.619 -8.390 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 -7.285 26.136 18.514 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 6.252 8.158 -12.126 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 -5.658 0.880 -0.219 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 -24.454 -22.560 2.999 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 -17.815 -17.429 -21.408 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 -2.222 -1.715 1.106 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 2.997 14.987 -0.205 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 1.213 24.328 -7.534 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 3.021 -10.912 -2.383 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 0.653 2.422 -13.537 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 -3.925 22.373 2.924 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 10.119 8.370 -1.508 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 -14.362 12.751 6.480 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 4.576 -0.535 4.265 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 -2.708 -5.742 5.740 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 -4.862 -12.314 -1.470 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 -9.642 -6.673 11.086 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 1.147 2.582 0.853 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 -0.611 -7.785 -3.405 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 16.811 -16.762 13.309 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 6.847 0.804 -1.709 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 1.530 10.439 -3.239 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 6.558 5.596 -1.315 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 1.517 3.757 -1.723 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 22.798 -7.632 -30.094 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 -27.581 -7.465 7.520 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 0.356 1.135 0.372 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 2.439 0.715 13.172 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 1.662 -15.354 -10.501 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 -0.445 0.200 -2.861 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 9.750 -4.031 6.337 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 1.619 -1.167 -1.272 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 1.677 0.083 -1.408 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 3.147 -0.512 -11.968 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 -0.746 0.558 9.754 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 -11.483 2.247 -1.966 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 -2.557 2.890 16.597 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 -11.258 -2.542 -19.792 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 -2.905 -3.458 -4.897 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 -7.525 3.605 -18.168 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 -6.285 3.284 7.498 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 -0.782 -1.169 -0.154 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 13.372 -3.279 16.638 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 7.604 -0.204 -7.997 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 -7.713 0.055 -10.351 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 7.758 24.059 6.498 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 17.412 26.174 3.894 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 0.910 2.212 -3.021 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 -26.527 2.072 18.716 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 5.896 7.460 8.003 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 -3.176 2.187 -6.806 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 -34.376 -2.629 20.514 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 -8.210 7.894 8.924 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 3.341 3.723 -7.132 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 -5.676 9.302 2.380 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 -0.951 -9.466 -7.024 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 -1.885 5.060 1.285 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 -13.146 19.789 -1.806 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 -7.539 -0.196 -11.588 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 -0.012 0.732 2.032 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 -14.436 -2.513 -8.060 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 4.418 1.134 9.732 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 2.580 -0.453 -4.301 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 9.384 -3.724 14.087 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 -18.396 7.410 29.118 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 9.882 0.627 -1.059 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 2.074 13.178 -17.645 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 8.754 7.725 -1.037 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 -3.837 -1.666 -5.219 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 -2.950 -2.494 -9.495 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 -0.456 -2.638 -8.674 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 -2.605 -1.976 -2.117 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 4.897 -10.549 -12.820 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 3.100 2.011 -2.243 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 -0.081 2.260 4.879 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 1.447 -14.009 31.047 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 -11.522 -15.766 -15.268 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 0.450 1.725 0.409 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 2.082 -6.346 4.241 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 -21.318 -9.637 -15.038 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 4.586 0.505 3.643 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 -4.872 10.846 0.881 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 9.776 16.871 11.045 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 -4.186 1.371 0.491 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 -3.399 -8.486 14.686 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 -22.526 6.732 0.150 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 2.654 0.134 -10.541 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 4.804 -6.952 -9.572 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 -3.662 -0.029 -11.924 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 -3.085 -5.880 -2.103 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 7.734 -14.271 -2.378 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 -8.884 16.162 -10.860 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 -2.853 5.163 -1.859 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 -7.260 6.061 -2.683 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 12.218 -0.243 -7.084 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 6.603 2.296 0.344 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 20.203 2.126 1.351 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 -6.788 9.288 10.743 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 8.765 3.019 -2.308 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 -14.762 12.804 2.725 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 8.816 3.309 -1.478 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 1.699 -3.764 -5.461 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 2.967 4.511 -3.436 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 -7.994 -3.349 -4.727 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 6.179 3.387 1.509 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 17.519 -7.299 18.277 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 13.154 -14.165 3.580 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 4.030 3.775 -3.493 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 15.722 10.259 -13.386 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 -14.727 -5.201 -22.767 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 2.161 -0.189 1.655 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 -9.292 -7.276 6.538 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 5.461 0.478 0.176 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 -0.305 3.483 -1.303 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 0.393 6.030 1.613 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 -5.710 -6.361 -9.739 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 -0.589 1.577 -1.866 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 -4.071 6.552 7.967 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 -1.219 13.388 33.033 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 0.782 -2.694 -0.917 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 -8.669 -7.437 -7.437 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 14.051 -17.784 -14.047 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 5.343 0.135 5.527 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 -0.077 -18.455 -1.545 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 -2.731 -17.384 6.083 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 5.356 -4.307 -8.521 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 -9.752 -7.658 -15.856 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 -2.096 -4.868 -12.613 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 2.844 1.154 -7.926 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 -5.744 3.010 8.591 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 3.862 -5.180 8.597 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 0.861 1.242 -1.236 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 -20.100 17.946 4.577 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 -20.802 1.372 -24.925 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 3.160 -1.720 2.143 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 10.244 -13.817 -15.005 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 3.603 13.253 -5.058 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 -3.760 2.698 -0.185 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 -18.896 6.307 -4.796 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 7.164 -8.153 27.637 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 1.522 4.011 0.312 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 4.137 -1.147 -11.103 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 3.310 -2.992 5.186 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 -1.482 2.929 3.582 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 -12.523 30.391 -6.256 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 11.046 19.272 8.722 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 -6.509 0.583 4.896 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 -5.193 -17.863 10.769 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 -7.855 17.642 -0.340 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 -7.663 -4.382 -4.650 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 -5.178 -4.510 -3.428 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 -0.487 -5.715 7.361 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 2.692 -2.016 -4.901 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 7.210 12.598 4.907 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 10.690 -3.555 3.600 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 6.916 -3.538 -3.856 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 4.700 7.699 0.535 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 9.946 -10.024 6.037 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 6.470 4.091 4.618 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 8.512 23.190 0.679 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 5.827 11.459 -0.990 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 -0.332 3.298 1.531 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 12.747 21.833 0.561 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 -1.552 15.842 17.111 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 -2.265 0.367 7.362 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 15.031 0.245 -14.037 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 12.662 -25.464 29.699 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 -3.851 0.389 1.795 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 11.723 -11.259 4.035 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 7.426 -3.479 3.776 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 0.339 -5.013 -2.282 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 4.054 -0.503 6.564 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 -0.233 -0.314 -0.819 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 -3.879 4.467 3.255 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 4.516 8.820 9.576 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 -0.753 -6.703 0.818 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 -2.022 -0.275 3.251 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 -16.540 0.861 -23.895 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 41.968 -5.808 15.675 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 4.499 3.119 0.192 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 5.771 4.588 0.749 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 5.336 8.133 -16.996 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 2.086 -4.478 3.807 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 8.003 -19.857 9.064 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 -5.853 -9.129 7.807 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 -0.072 -10.091 3.644 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 3.783 -8.879 -1.172 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 -9.772 -0.287 23.677 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 2.753 -0.151 -3.194 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 -2.566 -9.933 9.282 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 8.017 8.985 -18.259 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 -2.672 2.366 -5.106 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 19.058 -18.503 -21.367 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 -22.800 4.270 -11.970 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 0.721 -1.482 3.321 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 -5.666 21.822 -12.676 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 -9.715 -5.394 -12.073 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 -4.458 -2.953 -6.783 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 -7.967 15.292 -6.806 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 0.138 -28.280 -8.287 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 6.758 -1.917 -8.040 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 -4.197 12.289 -18.407 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 -8.081 19.277 -30.235 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 1.813 0.482 0.755 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 6.463 13.317 -3.265 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 -3.523 1.912 7.470 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 2.359 -7.242 0.977 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 32.106 1.908 7.271 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 5.131 16.709 -7.653 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 -2.891 -3.000 -4.647 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 7.088 -2.177 -8.926 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 8.167 -4.451 -2.975 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 -1.997 -4.190 5.065 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 -8.144 -15.560 -24.426 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 -2.863 -10.839 -0.215 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 7.867 -6.121 -5.100 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 5.284 -5.164 -10.384 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 -7.900 -1.354 -3.393 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 -2.760 3.461 2.164 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 0.615 4.793 4.107 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 -8.247 5.992 -5.181 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 0.690 4.272 -2.309 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 20.947 -19.320 -1.762 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 -7.320 6.605 -12.588 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 -1.664 4.220 -5.099 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 -0.554 9.877 9.350 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 0.138 6.237 -6.810 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 5.391 -10.535 0.813 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 23.105 -8.418 -5.092 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 23.291 -3.170 -7.973 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 1.681 2.854 -3.313 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 2.275 -7.615 -4.356 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 9.209 -0.601 15.364 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 -2.525 3.103 3.089 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 -0.160 -11.209 -2.668 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 -3.396 -33.560 -10.643 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 -2.943 7.231 1.316 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 9.413 -4.542 -4.136 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 -2.971 -5.357 9.428 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 2.608 -1.808 -4.002 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 2.490 12.238 -29.458 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 15.851 -1.463 9.650 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 -6.173 0.048 -0.576 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 21.822 -7.986 -30.797 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 -7.530 -16.272 4.023 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 4.232 4.582 1.099 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 11.661 2.045 4.818 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 20.776 -1.654 -13.717 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 3.772 -3.644 -7.730 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 -9.070 -14.498 -13.961 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 3.036 -7.472 -9.828 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 3.561 0.561 0.663 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 0.709 -6.859 1.815 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 10.529 -2.745 -5.806 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 -0.136 -4.068 3.071 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 -3.372 -1.833 14.298 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 -3.914 -3.132 19.120 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 5.137 0.103 -5.867 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 -8.944 14.067 2.867 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 -0.206 -8.018 17.294 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 -7.953 -2.575 -2.210 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 10.211 -1.981 -8.941 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 -24.964 13.924 -3.174 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 -0.251 -3.835 -7.841 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 18.136 3.139 18.234 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 -14.529 9.459 15.667 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 -3.054 6.857 -0.383 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 -19.869 15.718 -6.251 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 12.129 -2.204 6.186 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 3.845 -1.056 -0.417 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 -10.089 -12.634 10.522 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 14.459 -10.710 -4.382 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 0.298 -1.707 -3.558 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 -5.923 -10.243 1.722 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 15.912 2.706 -7.171 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 -0.756 0.631 -1.963 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 17.595 -12.607 0.565 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 -9.801 -22.589 -34.148 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 7.544 5.470 3.489 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 4.951 5.425 0.708 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 13.890 8.730 2.494 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 -4.837 -3.496 -1.173 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 -8.957 3.555 -6.404 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 10.573 -10.979 1.694 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 2.404 -3.292 0.645 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 12.660 -3.675 9.196 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 -14.431 7.403 -18.944 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 1.071 -0.374 -1.275 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 16.293 -4.543 35.654 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 1.350 -5.341 -12.912 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 -1.181 -1.233 -0.558 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 -0.596 8.119 -13.020 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 -2.327 6.003 -3.483 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 3.317 -1.096 -1.875 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 -16.684 -26.719 -2.694 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 18.123 -3.304 -2.754 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 4.662 -2.280 4.182 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 -6.548 10.965 6.206 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 4.011 -3.140 8.352 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 1.085 0.430 -1.802 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 -3.813 4.225 -5.999 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 7.502 -5.709 -8.721 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 -1.430 -3.211 2.154 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 4.318 -16.169 5.285 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 -27.617 -2.147 -1.517 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 0.901 -0.059 -5.389 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 1.227 -1.938 -5.063 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 0.677 11.855 -3.152 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 2.791 2.668 2.299 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 -10.112 -6.572 0.806 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 4.411 -7.320 8.586 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 -0.332 -4.283 -4.403 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 26.203 16.414 26.524 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 -6.606 -9.723 -12.233 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 3.499 1.543 -2.736 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 19.682 18.247 -3.938 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 -5.487 3.878 7.523 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 -2.630 -2.045 -5.060 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 3.054 -1.011 -0.122 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 -14.148 -7.502 -9.187 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 -0.391 -8.288 1.273 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 -21.440 -18.177 -0.094 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 14.306 -1.475 5.271 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 -6.196 0.880 -6.368 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 -2.862 10.591 -2.507 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 -3.741 -1.637 -6.685 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 -3.490 4.610 -0.885 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 18.284 15.580 -15.640 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 -23.956 23.643 -0.918 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 -0.279 4.556 5.993 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 18.810 20.066 -3.825 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 -5.650 9.303 -1.960 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 0.789 2.196 1.468 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 3.050 1.624 16.060 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 -1.223 0.596 -18.233 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 7.536 1.634 -3.367 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 -6.464 -8.501 0.410 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -4.873 -6.579 0.363 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 4.880 -0.484 -2.796 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 1.575 -11.393 2.821 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 15.105 -12.854 3.134 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 -3.252 -2.388 -5.886 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 -15.737 8.822 3.105 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 -20.187 -17.761 -0.327 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 -0.388 2.195 0.789 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 3.700 -5.170 -5.552 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 -11.877 -0.358 -0.598 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 5.498 -4.025 7.575 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 -15.438 -21.145 -1.933 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 8.309 -2.674 4.898 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 -3.831 -9.510 -0.237 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 -10.147 -6.426 -5.591 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 -10.482 18.764 16.502 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 0.574 -1.523 2.442 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 4.317 -4.101 5.199 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 0.073 0.768 1.693 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 -2.996 -1.753 -2.325 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 11.475 0.043 8.668 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 -16.864 6.263 6.533 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 1.864 -6.350 -3.476 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 -9.815 1.934 3.759 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 -27.643 20.758 -11.026 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 2.882 0.749 -0.635 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 -5.534 3.684 -4.162 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 11.682 6.548 0.771 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 -3.541 2.157 -0.779 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 4.681 -6.281 14.650 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 6.855 -12.306 18.337 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 1.275 5.868 -3.640 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 15.297 -8.573 -1.730 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 -11.219 11.829 7.976 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 5.473 8.846 -5.508 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 -2.336 -13.034 -1.059 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 -1.521 -2.308 -2.120 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 0.245 -3.394 -4.895 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 2.197 -5.675 -5.113 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 -7.445 1.479 -10.118 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 2.320 -2.211 4.220 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 -4.656 5.549 -2.146 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 -7.857 1.336 6.192 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 3.878 -6.843 5.209 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 -0.810 8.783 -13.315 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 3.729 -17.652 12.236 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 -4.247 -7.517 2.416 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 26.023 0.146 -10.149 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 7.204 -13.358 -14.195 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 -0.912 -4.279 -2.441 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 -27.874 -0.588 3.456 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 -8.305 39.443 11.170 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 7.519 -6.820 3.027 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 9.761 5.108 -7.745 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 -3.002 -8.612 -1.908 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 -9.839 -4.281 -3.405 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 -15.638 -1.825 9.161 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 -3.477 -6.734 -5.266 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 6.590 -0.483 -5.677 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 -0.955 -1.309 -10.526 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 8.221 5.458 -9.526 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 -2.932 -1.803 -0.140 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 7.333 6.509 -3.242 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 0.758 3.599 -2.883 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 0.663 -0.402 -1.127 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 -6.449 -0.192 -4.491 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 -2.300 11.656 -0.668 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -3.287 -0.711 -1.621 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 -3.230 -10.416 4.332 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 16.896 -29.007 25.122 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 -2.952 -1.849 6.535 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 -18.712 3.683 17.186 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 2.529 6.951 -5.040 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 -5.371 -0.290 -7.294 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 4.671 2.147 -15.617 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 -12.388 -2.304 -2.265 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 -2.588 2.104 5.434 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 2.150 -0.269 5.113 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 1.820 8.558 14.589 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 -2.336 0.960 -7.984 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 -4.511 27.492 22.358 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -1.699 -8.635 -18.735 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 0.031 -0.089 -0.202 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 -5.466 4.748 6.691 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 12.668 -12.973 -4.026 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 -0.963 0.212 -0.723 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 0.172 -8.259 -39.614 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 -7.986 9.430 -3.070 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 6.327 4.316 -0.090 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 19.805 -1.663 -3.159 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 0.392 15.119 -16.876 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 -3.862 3.005 0.917 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 -4.803 -0.670 9.687 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 -26.463 -24.243 -13.736 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 4.925 -0.652 -1.007 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 -0.886 -6.009 6.501 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 -3.807 1.920 -6.919 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 -6.198 -2.952 5.074 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 2.785 -16.515 -3.660 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 -2.331 9.076 22.971 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 -2.293 7.930 6.189 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 -9.585 9.443 26.997 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 7.732 5.422 -36.170 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 -4.646 9.572 -3.173 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 -17.886 6.822 -6.475 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 -9.119 9.781 -5.699 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 3.302 -1.512 -0.375 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 7.244 -6.746 7.621 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 10.398 -9.603 -18.687 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 -8.482 -4.208 0.029 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 15.618 1.656 6.727 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 -8.832 -18.537 13.372 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 1.382 1.509 0.671 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 1.318 11.845 3.880 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 -0.566 3.075 -6.225 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 5.055 0.838 -4.160 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 23.103 6.776 3.402 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 14.085 5.954 -2.739 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 0.030 -6.922 -9.116 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 5.703 -7.444 -20.788 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 1.755 0.259 -15.062 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 -9.825 9.468 -3.480 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 -3.178 20.975 -6.658 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 -15.212 -4.163 -24.232 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 -4.895 -0.515 1.105 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 -2.726 9.261 -3.425 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 -9.105 -4.910 -8.568 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 -1.317 -0.035 3.078 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 6.602 1.005 3.392 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 -8.260 -2.288 6.063 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 0.669 -1.185 -3.090 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 5.012 1.021 -3.457 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 -12.818 -3.821 4.565 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 -1.685 -4.027 4.042 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 2.483 4.121 6.838 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 1.685 -10.810 4.388 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 -2.150 -1.741 8.246 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 -0.195 -4.450 15.152 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 -7.378 -1.754 -6.851 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 -1.792 0.725 -0.901 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 7.307 2.322 1.233 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 13.467 -2.398 -0.850 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 -6.376 0.696 8.750 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 8.291 8.871 -18.655 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 -6.015 3.783 -21.350 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 0.416 3.309 -0.715 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 5.224 17.429 -8.880 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 9.322 -8.879 -9.765 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 -0.596 1.947 -4.307 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 -1.108 1.828 -4.220 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -0.660 1.913 -4.569 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 3.904 0.757 6.256 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 -8.521 -13.166 19.725 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 -5.088 -26.058 8.188 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 -6.546 2.303 2.046 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 -8.962 7.827 4.311 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 -14.858 7.566 5.590 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 -0.131 0.307 -1.365 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 3.771 -5.360 4.374 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 0.007 -6.417 3.174 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 -0.265 -0.807 -5.030 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 -10.943 -3.916 2.809 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 -3.174 4.042 -13.976 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 -5.740 -6.085 -5.613 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 -16.960 2.806 -11.204 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 -30.194 16.503 1.164 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 4.437 3.789 7.851 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 10.679 23.699 -2.033 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 -10.571 2.701 8.491 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 2.474 -1.805 -4.304 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 2.743 -4.948 -3.134 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 4.837 -5.022 -6.893 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 3.969 -4.521 4.131 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 3.058 -6.418 -8.415 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 -14.443 3.731 22.637 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 5.445 7.364 -0.654 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 7.824 18.360 -0.611 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 4.153 -10.382 4.757 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 2.769 0.322 -3.144 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 5.841 -4.374 1.760 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 6.967 -8.285 -1.916 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 -4.777 4.173 6.428 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 0.450 0.785 -12.504 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 1.046 14.196 -1.610 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 -2.742 1.215 4.102 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 -1.156 6.374 -0.094 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 -6.151 -15.659 8.578 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 2.505 1.827 4.383 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 10.511 -18.009 18.193 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 2.341 6.056 -3.604 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 3.425 -1.333 -2.109 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 -0.335 13.866 7.058 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 11.343 -11.724 8.273 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 -3.333 -6.041 -3.152 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 -7.712 -9.679 -17.760 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 -15.006 0.626 9.127 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 -1.571 5.013 3.367 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 7.612 16.495 -7.358 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 -13.458 -9.775 -5.783 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 4.238 6.130 4.780 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 -15.157 4.977 11.035 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 4.669 8.640 3.578 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 -1.989 2.487 7.547 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 7.072 -25.429 1.766 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 0.687 -35.101 -18.127 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 2.957 -1.493 2.896 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 -8.671 -0.332 3.514 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 -4.915 18.427 5.194 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 4.792 -1.278 -0.698 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 -0.500 2.355 -2.760 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 4.664 0.216 3.858 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 1.927 -3.710 7.337 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 8.551 -2.289 -2.321 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 2.602 6.802 20.752 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 -5.744 3.943 -0.707 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 -2.734 2.818 10.364 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 -0.558 3.728 3.812 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 0.365 -2.623 -1.381 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 -3.430 1.010 -1.394 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 -4.732 -6.835 -1.769 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 2.804 7.415 5.531 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 -2.567 -13.015 2.594 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 5.941 9.921 -2.596 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 -4.467 -0.788 6.530 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 4.185 -0.887 -4.623 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 3.406 8.226 1.873 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 0.599 -2.876 -3.771 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 5.162 -5.891 -2.810 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 0.990 -3.520 -3.910 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 3.826 -5.375 -5.081 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 6.355 1.534 3.581 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 -9.917 11.747 38.348 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 -1.795 4.469 4.100 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 -15.664 8.624 9.643 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 2.126 2.865 0.070 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 -4.730 1.213 -0.278 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 -4.078 1.423 4.845 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 -4.155 -2.810 -2.993 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 -1.790 2.720 -9.388 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 -27.507 7.197 6.513 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 1.092 1.616 -17.803 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 2.730 2.525 -0.804 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 -20.729 -5.293 4.402 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 12.245 -5.812 19.922 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 -3.695 5.019 2.980 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 4.496 -9.037 6.239 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 -5.359 -8.170 -3.164 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 1.007 4.723 1.380 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 -21.142 12.623 -15.710 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 -16.379 6.835 -11.212 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 3.329 3.807 3.167 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 9.128 13.688 -1.190 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 12.741 19.783 -1.338 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 0.705 -2.030 1.361 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 -5.414 -7.695 3.228 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 -11.312 -16.826 2.023 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 -5.389 -3.534 0.344 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 -4.376 -10.656 11.434 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 9.796 -11.289 22.294 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 0.153 -0.468 1.952 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 9.050 16.094 -8.340 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 17.327 -4.618 12.356 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 2.000 -2.955 2.194 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 4.504 12.909 -14.885 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 -6.157 6.946 24.076 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 -2.008 -5.435 3.106 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 5.983 -3.893 13.065 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 -8.746 7.619 -0.486 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 -1.629 -0.749 -8.873 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 -8.009 -0.552 -26.017 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 -6.333 -12.568 -6.007 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 -6.034 -7.769 0.366 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 4.952 -6.591 -21.142 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 -21.644 7.968 -0.713 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 -8.076 1.681 -1.342 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 14.123 -4.988 5.200 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 -10.089 -21.169 -14.973 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 3.009 6.067 -0.856 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 10.073 2.603 -3.738 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 10.756 4.684 -10.162 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 -4.849 1.360 2.045 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 1.066 -11.269 -21.884 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 2.844 -3.145 9.383 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 -6.073 2.276 -2.925 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 -9.269 7.081 5.968 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 -13.977 0.955 10.030 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 1.012 0.814 0.778 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 7.184 -20.154 11.553 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 12.947 -21.746 13.697 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 -0.285 -3.923 -4.061 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 4.834 -15.085 0.532 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 14.188 3.806 -6.005 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 -5.202 0.056 5.730 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 -14.559 3.221 5.862 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 -13.666 -5.597 7.772 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 5.641 -2.513 -0.781 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 7.250 3.336 10.471 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 13.644 10.563 31.073 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 0.773 -6.731 6.219 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 15.095 32.212 6.804 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 -42.898 -16.644 -4.481 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 -1.168 1.538 5.692 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 3.367 -2.796 3.750 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 14.618 -15.675 4.126 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 -2.841 0.893 2.394 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 6.566 3.059 -6.724 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 16.135 25.254 18.007 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 3.556 4.013 -2.600 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 -15.044 10.342 10.130 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 19.865 1.222 15.635 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 -3.046 0.477 -3.280 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 -20.662 -3.635 -0.471 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 -6.352 3.806 -13.294 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 5.658 -0.734 1.281 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 2.608 22.953 6.394 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 6.717 6.058 0.627 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 -6.239 -4.526 2.359 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 10.575 -1.457 -12.805 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 -18.372 14.163 -0.201 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 0.390 2.324 5.809 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 -10.054 -0.379 15.317 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 3.896 0.887 11.724 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 2.528 3.978 2.292 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 -0.280 6.117 -2.592 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 9.452 -9.110 6.309 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 -0.279 1.930 -3.583 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 2.262 9.145 7.216 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 2.517 10.720 22.507 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 4.193 4.301 -3.694 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 2.457 10.075 -3.530 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 4.859 2.660 -1.931 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 -1.401 -2.223 1.972 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 18.631 -11.728 -14.443 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 -4.301 12.128 -17.651 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 -2.550 4.788 -2.764 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 -2.776 5.211 -9.051 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 -1.738 4.439 -6.675 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 -0.204 -2.610 4.553 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 11.288 -0.195 -23.660 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 -13.505 4.505 19.709 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 4.917 -1.694 -1.298 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 -6.289 -4.821 19.806 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 -6.241 -4.329 -5.147 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 -4.160 0.479 -1.409 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 16.247 11.150 6.547 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 14.367 2.999 8.909 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 -1.685 -7.474 1.942 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 -4.740 -11.844 -4.569 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 0.521 -9.670 4.611 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 -1.248 -1.095 2.595 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 5.980 -11.838 10.176 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 -15.869 17.428 1.207 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 1.174 -0.387 -4.421 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 11.702 -8.555 -24.334 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 18.800 2.031 10.858 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 1.179 -2.242 -2.866 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 14.539 -18.050 4.126 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -15.334 -10.493 5.193 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 0.791 -6.630 7.609 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 10.492 -6.390 -16.759 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 -13.286 -13.709 9.680 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 -7.234 0.983 0.745 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 -23.537 15.253 8.032 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 6.704 -14.954 -5.072 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 -2.535 -3.398 7.552 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 -6.296 -0.065 -5.833 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 17.935 -2.796 -4.730 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 -2.848 2.010 -1.468 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -14.349 5.930 9.961 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 11.281 20.571 -18.312 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 -1.925 0.890 4.374 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 -4.143 9.324 10.043 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 5.059 1.631 -0.403 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 -3.938 -0.119 3.268 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 6.087 17.486 14.287 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 0.924 2.045 0.110 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 -4.131 -4.765 5.778 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 -0.159 -4.136 13.531 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 11.159 -13.751 13.667 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 0.959 -3.174 3.411 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 7.672 10.310 -2.846 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 27.067 3.931 -1.130 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 -11.767 -4.188 3.512 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 5.506 25.553 15.884 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 -25.301 -5.723 -1.934 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 6.562 -0.874 -0.392 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 -44.126 22.453 2.767 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 25.982 -13.253 -2.574 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 4.681 2.195 -2.830 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 -11.769 -4.392 3.696 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 2.608 -1.211 12.099 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 -2.963 2.809 0.049 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 -3.198 8.096 6.291 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 -2.313 -12.111 -5.655 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 0.124 -2.664 -2.397 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 -12.561 -4.040 13.910 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 -0.702 19.124 -13.295 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 0.160 4.384 3.750 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 -0.008 8.032 9.106 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 -2.359 -4.449 -14.162 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 5.325 -2.148 5.244 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 -6.067 -14.941 15.527 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 -4.719 0.471 -9.762 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 -3.662 -3.541 -1.704 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 22.643 17.064 2.396 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 3.680 -1.717 -9.048 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 -3.302 2.777 2.328 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 17.736 -17.072 -15.930 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 -14.627 8.935 -6.128 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 -6.820 -1.128 2.550 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 -15.134 -2.837 -6.139 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 -7.619 16.196 12.324 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 1.304 -0.289 6.477 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 1.631 -4.691 2.916 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 17.031 -20.750 -8.746 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 -2.974 -4.124 0.147 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 10.064 3.293 29.231 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 -12.893 -37.621 -30.675 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 8.713 -1.650 -1.196 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 -16.439 1.226 3.222 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 1.401 4.892 -1.264 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -3.157 -1.538 -3.831 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 -3.995 18.065 -24.117 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 -3.255 2.810 -8.181 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 -7.181 -0.634 2.929 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 2.622 9.597 -12.671 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 -0.169 5.878 -7.440 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 -3.875 2.615 0.235 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 -21.237 7.457 -9.529 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 12.585 20.803 -0.480 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 -6.558 -2.373 3.429 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 8.286 -8.037 7.408 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 -22.042 5.405 -4.544 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 -1.655 1.513 -4.033 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 3.939 -15.354 9.510 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 10.965 11.201 -15.417 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 0.694 5.776 9.034 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 -1.738 -6.400 18.518 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 7.606 -3.712 24.478 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 -1.338 -0.173 2.153 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 0.126 -16.569 22.113 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 -6.190 0.052 -2.011 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 -0.168 2.382 0.346 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 10.702 3.133 -1.428 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 -27.349 3.777 9.020 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 -5.995 -2.134 0.426 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 -5.299 -22.885 -12.736 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 16.629 -2.367 -19.717 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 -1.104 -0.906 0.166 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 -10.342 7.445 -15.298 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 -16.610 -13.513 16.123 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 -1.349 1.474 -6.897 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 2.495 -4.284 -6.208 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 -0.446 4.723 -10.518 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 -4.660 6.421 -1.121 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 -3.666 -9.375 16.033 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 -7.881 13.156 -12.640 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 -4.613 -2.550 -3.375 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 -6.089 12.126 16.124 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 9.302 30.608 11.978 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 0.481 3.155 -1.733 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 20.780 12.598 16.885 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 -4.844 -24.039 6.455 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 -0.488 0.459 1.385 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 -1.155 10.779 -7.037 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 -2.840 -0.972 3.719 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 -2.331 0.514 1.610 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 -5.922 7.445 6.845 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 -0.180 6.570 -9.100 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 -0.070 1.964 -4.591 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 -5.438 -1.566 13.322 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 1.042 2.337 -5.937 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 3.235 -0.458 -3.205 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 3.050 17.530 -13.503 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 6.399 -0.292 16.843 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 -0.315 -2.069 -1.407 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 14.195 4.819 5.474 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 -20.942 1.072 0.942 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 2.781 -1.403 0.859 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 -12.288 16.581 -8.582 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 -3.221 -2.019 0.790 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 2.365 -5.311 -1.916 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 5.591 -0.280 2.484 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 4.328 -10.840 0.909 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 6.213 2.108 -2.903 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 2.390 -12.659 -1.604 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 13.389 22.587 -14.637 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 -0.483 -3.598 2.010 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 -15.329 15.797 -7.974 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 -18.594 6.854 -0.401 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 -1.201 -6.641 3.533 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 22.871 -17.167 -17.272 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 -17.718 -9.081 -12.516 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 -3.176 5.636 3.520 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 8.231 -22.180 9.841 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 -12.121 -7.298 0.033 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 -2.679 -1.347 -4.229 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 3.655 2.303 2.783 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 2.817 7.248 -4.303 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 -0.764 7.788 5.886 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 27.386 -4.859 -24.922 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 -19.702 -35.684 -13.093 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 1.220 1.217 1.300 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 -28.820 15.958 17.345 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 -8.494 6.262 8.769 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 4.592 0.126 3.074 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 -8.463 16.636 -1.541 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 3.806 4.777 5.238 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 -2.617 -4.026 0.010 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 3.714 23.985 6.316 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 -9.405 -9.775 11.927 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 0.453 2.668 7.145 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 -1.837 2.303 14.345 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 10.964 21.946 34.093 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 9.644 -2.673 -0.827 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 7.609 -0.109 -10.273 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 4.346 0.353 -6.959 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 -0.344 -1.856 2.022 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 -2.291 8.014 2.611 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 1.177 2.958 1.969 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 -2.280 -10.153 6.580 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 -10.795 -15.699 8.251 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 -2.826 -18.049 10.050 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 7.238 3.142 -3.566 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 -0.065 -5.002 -8.192 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 15.305 19.235 -0.479 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 7.382 -1.506 0.775 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 10.792 -14.247 -11.037 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 -7.820 -9.143 1.537 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 -4.553 7.577 -4.418 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 11.420 7.798 -6.733 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 15.917 -14.627 -20.759 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 -2.490 1.005 1.001 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 -3.354 1.075 2.329 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 3.638 -1.522 -13.097 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 -2.843 -11.768 -0.480 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 -3.501 -14.371 -1.116 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 -4.550 -7.808 -0.779 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 4.535 4.192 -2.288 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 7.265 -18.474 25.408 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 14.165 3.426 9.887 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 1.913 3.493 -5.413 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 22.598 16.903 -9.856 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 0.530 2.621 -5.905 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 1.892 4.814 4.686 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 -12.270 7.685 12.265 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 7.613 -8.264 11.689 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 -3.137 2.282 -1.321 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 -0.677 3.308 -2.548 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 -1.813 3.063 -0.543 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 8.791 1.506 -2.809 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 -8.036 4.079 -7.444 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 21.109 -4.365 0.681 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 0.214 4.204 4.199 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 13.859 12.393 8.640 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 7.136 3.001 -11.806 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 -3.244 0.242 5.004 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 24.444 0.808 -9.946 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 1.252 -19.877 1.246 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 3.705 3.956 -7.926 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 4.871 -11.078 -4.675 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 11.719 11.694 -9.956 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 0.186 -3.965 -0.995 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 -9.484 8.528 -0.439 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 -4.983 -2.946 10.173 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 7.381 5.187 -3.194 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 7.769 0.441 -9.031 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 13.311 2.745 -0.260 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 6.228 2.291 2.201 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 -17.833 20.443 16.921 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 7.885 3.139 3.759 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 0.464 -1.563 3.048 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 27.708 12.934 -8.232 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 -16.038 17.229 13.628 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 5.150 1.657 2.260 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 16.472 -5.056 -3.016 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 -5.286 -2.006 3.534 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 -5.394 -1.207 1.191 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 9.553 -5.346 -17.222 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 -18.161 -6.993 -13.606 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 -5.557 8.851 0.585 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 1.220 4.759 3.115 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 -1.437 -1.144 -8.763 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 9.925 4.068 -5.301 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 -19.288 -3.991 -19.224 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 3.613 0.475 -7.737 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 1.617 3.393 5.580 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 0.286 -3.979 7.536 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 -6.720 9.182 2.322 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 0.857 4.323 -1.489 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 17.276 2.366 -19.129 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 13.003 18.893 23.450 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 2.047 -1.396 -0.302 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 -0.348 1.355 1.026 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 19.876 -9.700 17.540 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 -0.855 -4.563 8.175 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 -8.683 -13.419 -11.470 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 14.142 6.621 -3.029 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 -10.263 -1.383 -6.962 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 -6.819 -12.458 -27.011 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 -2.260 -10.534 8.300 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 -4.220 6.161 5.895 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 -14.881 -6.496 15.578 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 19.784 -3.920 -13.863 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 0.628 -1.947 -0.649 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 -0.755 -1.296 -0.090 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 -4.919 -6.361 -2.560 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 7.081 -1.240 0.184 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 -22.451 -15.348 15.270 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 9.776 8.606 -7.289 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 2.278 3.166 4.419 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 -25.003 -11.802 4.728 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 -12.218 -16.796 17.753 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 -2.247 -3.697 -1.010 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 12.466 -12.352 -2.243 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 -19.313 -24.481 -21.346 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 2.352 -2.656 -6.053 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 1.748 2.078 7.796 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 -1.251 2.836 3.921 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 5.721 3.172 -1.809 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 7.767 2.487 1.190 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 -3.604 4.449 -15.636 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 -5.766 4.680 4.247 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 -6.476 15.803 -3.652 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 -2.584 -16.770 7.325 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 -3.241 -1.111 2.222 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 16.215 1.406 6.046 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 11.001 19.999 -6.224 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 3.712 3.898 1.404 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 24.681 -3.051 28.847 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 13.844 5.869 -22.238 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 3.950 -4.142 -1.119 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 4.202 -7.910 -9.213 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 -2.552 11.477 -3.918 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 -2.545 -1.782 -3.355 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 -3.170 1.013 -8.058 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 -1.860 -14.700 9.384 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 -0.752 -2.655 -5.614 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 -2.288 -2.617 -5.914 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 -18.676 5.669 -9.372 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 -7.034 0.593 0.921 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 -13.152 14.574 4.586 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 -6.594 -2.224 -0.489 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 2.954 2.943 8.613 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 8.609 10.814 17.337 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 -8.994 11.808 1.038 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 -3.449 -2.796 1.329 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 14.232 -8.882 -23.400 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 -33.176 11.900 5.760 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 -1.721 1.076 -5.667 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 -18.181 1.539 -19.553 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 -9.647 -1.500 13.745 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 0.597 -1.138 2.661 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 -17.776 7.004 -6.950 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 4.119 0.013 -4.958 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 1.436 -3.429 0.702 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 9.648 3.151 -0.825 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 1.642 -3.505 12.361 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 -3.033 1.434 1.370 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 8.992 0.326 -12.985 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -0.182 -6.655 10.594 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 1.579 2.740 -3.580 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 -15.858 -10.977 -5.095 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 5.904 0.553 -0.324 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 0.013 4.881 1.121 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 1.637 0.712 -4.654 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 -10.375 17.652 8.501 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 6.718 3.203 -6.389 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 -2.409 3.705 -7.996 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 4.260 11.113 -5.951 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 4.177 9.754 -0.479 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 8.867 -24.595 0.436 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 0.557 0.353 -0.977 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 3.118 -3.272 2.721 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 13.475 24.644 1.830 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 -13.643 -4.106 -21.763 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 -3.604 2.365 -6.188 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 -4.464 -15.492 -5.732 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 4.070 -7.841 -9.120 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 0.391 -0.244 -0.887 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 1.076 -14.530 5.325 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 10.410 0.564 -20.353 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -1.407 3.479 -2.315 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 -5.419 -0.238 -5.275 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 -2.562 9.665 -4.848 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 -1.546 -0.504 2.049 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 7.014 4.661 5.797 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 7.141 5.120 7.184 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 0.710 -0.466 2.658 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 -5.673 -8.979 -5.557 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 -9.608 6.221 8.590 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 -5.984 -0.399 5.365 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 10.294 8.784 14.623 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 -0.555 -11.453 -5.760 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 -4.292 1.921 5.760 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 -6.396 11.475 4.463 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 1.889 2.692 7.279 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 -2.584 -4.856 5.220 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 -17.235 -12.531 -23.432 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 -23.841 16.379 20.941 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 2.687 -2.493 -9.101 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 4.114 -2.491 -6.979 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 5.079 0.223 3.476 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 -3.560 -0.134 3.209 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 5.428 -10.545 -14.618 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 8.601 -7.550 -0.335 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 0.404 -0.570 2.619 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 -16.566 39.980 8.368 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 1.639 6.989 0.830 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 -0.653 7.604 -2.783 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 7.065 5.019 -12.168 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 6.321 -4.525 -4.478 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 1.054 4.301 6.398 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 5.194 18.739 -13.523 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 5.789 13.181 -6.225 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 -2.344 -4.098 2.167 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 1.177 -9.416 18.003 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 10.756 -12.958 -2.205 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 0.905 6.196 5.100 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 29.084 6.213 3.455 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 -9.835 -13.781 1.955 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 -6.085 5.883 -2.842 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -22.151 11.372 9.238 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 0.083 5.020 -9.516 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 -2.865 6.332 1.559 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 -13.198 -17.237 -6.420 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 -0.311 -10.547 9.435 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 -5.697 2.022 1.101 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 11.544 -25.910 -5.363 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 28.531 25.900 -28.701 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 -3.690 4.281 -0.991 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 3.737 -4.586 4.055 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 1.389 10.350 -8.545 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 7.523 -1.798 0.490 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 9.274 -12.917 5.820 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 -3.773 9.478 -2.626 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 5.833 -3.729 3.847 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 -2.397 8.992 13.358 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 17.969 -11.017 10.551 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 -1.014 0.314 4.475 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 7.645 2.264 14.032 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 6.074 15.304 -5.073 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 7.817 -0.076 -1.663 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 14.808 -9.646 -5.212 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 11.767 -3.557 -3.500 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 0.976 4.381 -3.013 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 -0.547 9.601 5.436 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 16.623 5.373 -14.893 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 2.900 3.489 3.836 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 9.071 -25.844 -7.184 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 18.833 4.079 6.683 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 0.072 -1.873 -5.560 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 2.135 14.929 4.675 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 0.862 1.337 -4.824 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 -0.737 -8.548 0.966 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 -13.410 3.171 10.177 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 0.598 -10.334 -0.124 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 -3.041 -3.419 -1.071 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 -18.024 -12.554 1.130 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 0.324 -9.102 -4.278 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 -1.429 -5.135 -0.419 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 -1.694 -5.178 -0.241 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 4.051 -0.645 7.537 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 -5.054 1.645 -0.088 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 12.259 25.530 -2.360 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -28.847 10.216 -6.187 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 -3.741 -4.758 -1.421 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 7.635 10.237 -9.130 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 29.034 8.130 -3.256 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 2.468 -0.573 2.610 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 17.256 -2.258 -14.253 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 -10.164 8.238 -9.084 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 -3.330 -5.418 -3.777 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 20.298 8.242 -21.841 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 -3.389 -21.070 13.991 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 4.503 -4.041 4.307 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 21.414 -5.008 2.551 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 -19.825 8.311 -7.631 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 3.958 -0.933 -4.611 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 -0.746 5.209 20.263 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 2.373 -8.472 8.220 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 0.473 5.285 1.117 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 3.546 -7.517 10.569 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 -8.247 -5.145 -10.625 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 5.138 -2.455 1.995 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 -0.624 -2.575 -4.767 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 -23.880 -6.793 11.745 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 9.229 2.484 3.604 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 -9.009 -4.383 22.575 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 6.842 -0.465 -5.077 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 7.471 -2.696 -5.358 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 1.244 4.439 -8.950 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 4.714 -4.011 5.129 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 -0.385 3.021 -1.923 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 -7.087 14.637 3.116 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 4.357 11.230 3.392 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 -0.720 -0.858 4.673 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 -16.266 -2.800 25.677 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 -1.005 -0.406 5.962 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 3.110 6.266 3.176 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 -7.587 -17.086 -7.396 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 6.760 -5.574 10.426 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 -1.794 0.482 1.350 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 11.080 7.061 3.918 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 -1.839 -0.734 -2.459 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 -3.702 -2.984 3.093 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 0.285 7.198 2.263 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 -7.145 -6.103 19.454 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 3.221 -3.019 -1.290 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 -8.522 -26.473 1.400 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 -13.506 16.000 12.084 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 3.400 0.116 0.637 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 2.696 3.811 2.421 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 1.472 -2.814 4.560 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 2.311 5.412 -1.972 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 1.528 11.288 -0.259 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 11.125 -4.292 1.186 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 -0.273 1.365 -2.748 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 -7.673 24.055 20.633 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 4.348 -1.512 -9.203 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 6.040 3.272 0.196 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 -5.225 -10.357 -5.394 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 4.817 13.529 14.967 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 4.940 -13.834 0.292 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 -15.275 2.300 9.228 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 -10.765 -8.981 10.764 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 4.715 5.906 0.292 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 10.633 11.545 -3.436 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 10.409 14.141 -6.034 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 1.101 -1.682 5.602 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 -8.746 -5.955 -21.108 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 4.278 9.956 5.757 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 -1.035 1.759 0.991 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 -15.266 14.675 9.943 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 -7.118 3.665 -12.508 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 1.140 -1.775 3.720 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 6.027 4.050 -2.366 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 -3.878 0.087 5.143 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 -1.939 7.660 3.754 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 -16.902 2.731 8.976 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 1.653 12.817 -1.354 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 3.232 0.909 -1.846 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 14.240 20.256 10.471 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 -7.380 -11.502 -12.167 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -3.152 8.105 -0.850 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 -1.790 -2.238 -13.654 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 -9.446 5.671 -15.808 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 0.686 3.845 4.391 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 -8.800 -8.300 10.782 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 5.477 11.437 1.263 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 -3.957 -1.021 -2.146 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 1.887 -9.880 -6.569 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 -9.768 5.875 -0.222 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 -0.040 -3.364 -4.208 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 2.210 -1.608 -3.463 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 3.915 -6.250 -3.647 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 -3.880 2.428 1.992 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 -2.804 -1.759 -0.000 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 6.197 -25.897 -31.219 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 -4.498 1.340 1.757 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 7.622 -18.258 -14.270 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 -12.759 -0.143 12.353 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 -4.361 -0.950 -3.358 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 0.140 -5.114 -11.812 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 0.307 0.127 -12.691 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 10.709 5.421 4.520 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 17.480 16.373 14.962 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 10.976 -8.955 12.472 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 4.015 2.645 4.467 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 0.538 11.609 6.268 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 -0.917 -6.418 -0.734 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 1.541 2.113 0.099 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 6.804 5.926 1.439 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 -8.495 1.456 2.497 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 -2.635 -0.384 -3.467 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 15.536 7.888 22.313 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -8.241 -11.870 13.177 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 4.493 1.934 -5.635 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 2.988 12.959 -8.040 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 -3.039 -1.254 -6.998 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 -8.216 -0.380 0.622 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 -7.612 -1.448 -3.393 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 -9.899 0.971 -3.012 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 8.819 -3.135 3.381 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 10.515 -19.069 5.883 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 -5.452 -8.665 -10.078 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 1.634 -0.859 -0.620 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 1.659 6.672 2.632 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 0.672 -5.142 -5.812 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 6.194 5.711 0.386 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 -22.249 -26.534 -3.667 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 38.948 -13.235 19.379 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 -3.696 1.986 -0.485 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 8.007 -11.049 -10.533 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 -12.062 0.618 0.692 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 -3.013 4.699 -5.399 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 15.020 17.443 -2.524 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 -5.529 9.645 -18.748 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 -1.825 -9.363 -0.056 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 -8.328 8.762 3.573 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 0.133 -9.975 -10.210 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 -3.903 -0.061 5.153 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 -15.480 -5.598 5.916 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 -18.804 -8.414 -29.580 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 -0.997 0.693 9.663 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 -6.805 16.773 11.167 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 7.107 13.174 -3.139 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 1.536 -10.605 3.547 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 3.075 -27.117 -1.270 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 -4.188 -0.821 14.705 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 -8.577 -2.841 -4.459 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 -2.202 23.501 10.214 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 -24.597 -18.249 16.320 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 -8.309 1.791 1.821 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 -31.828 0.552 5.177 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 -4.285 -7.041 -21.280 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 -3.153 -8.837 -6.518 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 7.229 -9.454 4.902 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 -18.616 -11.493 -5.955 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 4.521 1.525 -7.133 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 -11.375 -16.066 -8.167 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 1.706 -1.653 -2.251 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 2.684 2.403 -2.238 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 -5.864 3.505 0.029 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 -11.064 1.196 3.958 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 2.660 -1.850 2.553 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 3.002 -8.449 4.709 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 -3.602 -1.467 0.720 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 4.166 3.459 -4.286 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 -3.273 -1.925 10.786 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 10.510 -14.444 -10.644 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 4.588 -11.856 0.378 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 -7.636 20.925 -16.052 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 -1.030 7.150 5.569 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 1.206 1.792 4.563 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 6.238 -5.536 -7.968 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 5.564 -4.522 -6.953 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 4.386 3.570 -1.752 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 5.051 4.502 -1.749 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 -16.624 -18.665 3.956 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 -5.114 2.612 -2.732 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 -13.562 -3.011 -13.361 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 -10.392 1.074 -12.224 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 4.092 -1.551 5.564 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 15.485 11.546 5.659 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 5.620 4.253 -18.577 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 0.189 -1.401 1.944 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 3.341 6.531 -24.647 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 33.791 -13.970 10.338 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 -1.120 0.193 1.620 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 -2.909 23.581 -2.387 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 -17.386 19.328 18.641 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 -4.169 -2.972 -2.896 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 -0.764 -0.399 0.812 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 -2.303 -0.709 -0.756 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 -2.926 -2.552 -1.841 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 12.025 16.688 1.014 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 -4.216 32.565 5.154 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 2.009 -5.449 -1.601 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 19.187 2.842 10.649 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 -7.380 -13.518 -16.754 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 -5.214 -2.863 -2.373 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 8.838 -5.186 -6.198 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 21.008 -6.516 -13.358 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 0.028 -5.674 -3.516 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 29.370 13.820 16.414 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 13.501 2.022 11.510 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 -1.254 1.450 4.317 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 4.871 -1.311 -5.797 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 -8.024 0.560 0.641 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 1.957 -0.316 -2.177 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 0.335 4.620 -1.101 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 1.707 -11.290 -7.917 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 1.324 9.213 -5.414 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 4.834 -13.915 2.461 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 7.497 13.456 -10.867 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 -0.769 -2.185 1.283 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 1.389 16.290 -30.184 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 1.292 -22.098 -3.207 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 0.909 -7.182 -4.684 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 24.831 22.125 24.297 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 6.191 24.438 -23.131 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 3.619 -0.850 -1.674 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 10.282 11.637 15.673 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 1.530 6.493 25.192 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 -1.023 -6.355 3.014 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 7.187 -3.828 0.483 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 -8.511 6.009 11.823 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 -6.058 0.050 -5.407 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 -5.751 6.798 -7.406 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 -15.009 -17.045 -11.018 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 1.071 0.458 3.289 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -2.677 -0.599 -1.010 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 -1.055 4.150 5.387 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 -1.324 -4.582 2.463 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 3.042 -6.599 2.261 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 -5.552 -0.081 9.258 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 -3.341 -0.108 -1.338 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 -11.968 -15.170 -1.853 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 -11.787 14.851 -0.358 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 5.406 -2.843 -7.119 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 5.054 -2.544 -3.762 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 10.581 17.029 -11.052 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 -0.052 -1.365 -2.130 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 -10.949 -0.640 -12.520 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 -5.089 -9.065 -7.012 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 -8.772 -3.437 -3.374 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 -0.713 17.827 19.166 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 0.061 -28.471 6.146 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 -0.671 0.348 1.992 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 -8.943 -0.287 15.815 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 0.361 -1.190 -11.076 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 1.702 3.485 2.492 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 4.533 6.823 -7.464 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 -10.868 -4.559 7.429 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 7.562 4.658 -0.052 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 -6.522 -4.775 -2.203 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 10.777 10.051 -15.848 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 3.688 11.078 8.523 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 12.446 19.415 -12.663 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 11.210 18.027 -9.390 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 -5.742 -4.200 0.710 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 -23.960 -20.744 5.493 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 -8.447 -18.162 -18.825 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 1.053 -2.490 4.472 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 -2.193 -14.506 4.369 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 6.752 -11.172 8.684 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 1.795 -0.516 -0.926 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 10.937 7.039 12.214 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 9.356 9.061 -4.268 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 5.366 -3.762 -1.065 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 4.483 -7.470 11.597 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 24.631 -18.034 3.340 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 0.279 2.124 1.939 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 -6.257 -12.789 20.078 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 -17.438 20.009 -10.952 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 -13.897 -3.749 -1.450 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 -27.721 -5.883 13.058 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 11.486 3.088 15.384 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 1.153 9.877 -8.508 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 -4.089 5.900 16.943 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 0.476 9.286 -6.409 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 -2.385 -3.143 1.721 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 -4.261 -16.979 -11.255 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 -2.185 -21.501 2.172 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 2.595 -4.178 1.147 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 -7.439 -3.177 -3.230 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 -9.909 -14.983 7.410 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 1.933 -1.625 0.586 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 5.357 -8.416 7.764 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 -5.730 5.811 -3.122 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 -0.276 -10.706 2.076 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 -0.407 -12.372 1.364 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 2.113 -12.263 10.661 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 0.538 -0.318 1.196 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 1.459 6.678 -14.645 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 5.512 -1.472 0.489 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 -3.379 3.067 -1.779 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 -8.973 -13.099 -2.639 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 0.903 15.443 -1.268 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 -6.975 2.210 2.575 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 -0.626 6.010 3.271 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 -0.287 6.305 2.478 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 -9.016 1.120 -1.609 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 -10.401 -3.985 2.841 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 -2.210 2.161 -14.126 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 3.936 8.080 4.073 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 -4.500 5.056 17.668 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 -1.275 11.647 6.129 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 2.961 5.622 3.615 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 -14.913 28.525 -11.719 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 -34.586 4.759 -22.975 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 -0.345 -1.383 2.660 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 -16.520 4.031 -25.130 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 2.308 -5.476 32.550 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -0.806 -1.734 -7.381 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 -0.382 5.992 -13.297 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 9.993 7.148 -10.788 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 1.368 7.177 0.241 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 -3.353 7.145 -0.622 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 14.443 4.889 -8.917 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 2.533 -2.220 1.568 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 8.942 -18.467 -17.024 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 -41.493 -3.042 -9.575 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 1.352 -8.360 2.887 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 2.095 -7.802 3.324 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 4.444 -4.936 5.389 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 -5.362 -4.096 2.852 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 -6.187 -3.854 1.363 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 0.540 -1.716 -39.139 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 0.993 -4.412 -1.459 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -1.464 -9.530 7.397 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 0.503 -14.286 -8.634 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 2.845 0.141 -3.632 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 -0.884 2.002 5.356 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 1.566 -10.621 -19.296 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 -0.957 0.681 -7.866 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 10.425 15.629 3.907 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 -10.265 -6.452 3.370 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 -5.101 -0.370 -0.736 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 -13.975 -1.564 5.924 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 -0.932 -3.386 -8.472 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 -0.428 2.316 -5.386 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 1.231 15.636 -10.446 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 -1.373 -2.529 -11.696 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 7.592 -3.602 -2.906 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 -23.565 -42.327 -4.043 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 11.126 -23.325 -13.205 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 8.155 9.889 -2.200 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 -1.950 8.897 -17.202 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 -10.222 -1.099 -8.005 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 5.017 -2.672 -5.976 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 -0.670 -9.874 -8.021 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 -10.568 -15.426 -8.264 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 -3.030 1.617 -3.553 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 8.925 -2.107 -13.327 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 -0.428 15.768 -8.278 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 -6.071 1.259 1.886 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 -3.932 -0.826 1.905 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -3.057 -2.214 2.582 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 -0.897 -2.055 3.897 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 -1.739 -1.992 5.770 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 -3.333 -2.671 8.723 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 -1.716 5.875 -1.429 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 5.306 25.691 6.241 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 -15.003 -21.330 4.276 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 -3.291 -5.084 -1.589 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 -8.057 -7.771 -5.087 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 9.272 5.130 -1.369 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 1.538 0.109 1.140 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 40.253 -2.547 31.580 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 1.340 14.174 1.985 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 -3.907 -2.581 -6.030 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 6.610 7.732 -10.996 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 2.275 -18.393 -12.463 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 2.055 -2.176 -2.423 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 6.463 -14.733 10.745 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 -5.486 3.642 -8.479 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 -5.196 3.364 1.191 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 1.411 0.702 -6.989 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 -8.445 -7.067 9.135 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 5.789 1.661 -4.617 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 19.418 -6.846 -3.398 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 1.977 11.494 -0.617 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 0.946 -2.580 7.568 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 -6.210 3.873 11.558 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 -0.885 -5.018 7.922 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 -1.131 0.046 2.812 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 2.726 6.688 -5.781 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 0.026 -8.605 -0.889 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 2.623 4.167 -1.248 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 17.967 0.340 -2.640 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 15.908 14.332 -3.889 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 6.219 -3.580 0.503 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 -14.655 -17.882 23.430 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 1.677 -11.522 12.643 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 -2.497 2.134 -0.207 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 -8.384 1.611 -14.688 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 -6.463 -6.338 13.532 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 -6.310 -1.318 1.736 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 -14.177 18.303 -0.945 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 18.765 -2.622 -0.800 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 -0.452 4.256 7.450 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 16.119 14.225 9.886 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 -7.640 2.455 25.475 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 -2.730 -1.716 -6.766 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 -10.200 -2.689 -0.566 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 0.581 17.322 -9.794 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 5.108 3.299 1.501 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 11.266 -15.107 -11.653 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 3.325 11.455 8.235 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 -3.047 0.325 -6.964 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 5.924 -4.865 2.457 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 -11.762 3.106 2.950 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 -6.858 -0.158 4.341 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 3.229 11.213 -16.038 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 -5.031 25.057 23.734 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 -3.344 -1.101 -4.015 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 -4.053 -3.452 -5.102 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 -11.674 9.738 -22.732 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 4.231 -0.570 1.987 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 9.875 3.573 -4.919 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 -11.169 -9.129 15.325 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 5.320 -1.986 -4.220 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 -9.579 -6.773 -7.514 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 4.148 0.651 -4.587 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 -1.768 6.526 -1.170 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 4.253 9.748 -6.872 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 3.080 -21.830 21.368 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 -1.133 -0.771 -1.604 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 -2.410 9.928 3.632 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 1.143 -4.786 -7.192 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 -6.748 -3.723 -1.150 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 -9.741 -2.849 9.584 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 -12.672 4.593 -6.251 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 0.456 -1.264 0.383 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 3.654 -9.374 -0.546 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 -12.865 -8.012 14.927 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 -2.495 1.720 -4.725 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 1.274 7.548 -6.080 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 -3.633 -4.534 4.261 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 3.271 -1.424 -2.936 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 -6.519 0.419 -13.571 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 4.995 -13.645 -7.981 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 4.812 5.093 0.471 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 19.592 -3.497 9.361 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 -3.292 -5.964 8.247 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 -7.165 -2.624 1.515 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 12.066 4.601 -10.970 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 -4.792 -1.701 -2.172 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 0.099 1.585 -1.961 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 19.068 10.845 15.734 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 -1.276 -7.357 -15.421 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 1.539 1.617 1.546 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 5.790 -15.280 9.147 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 -0.738 17.877 -0.029 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 0.983 0.019 1.660 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 -1.808 -2.007 2.126 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 2.787 2.312 -10.350 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 7.343 3.232 1.071 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 17.113 -4.264 -10.660 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 2.498 -20.493 -13.065 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 0.311 -3.220 0.047 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 0.474 3.045 11.047 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 -6.211 -16.135 -7.780 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 -2.622 2.312 -1.167 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 11.722 9.302 -4.937 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 -14.024 -1.386 9.279 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 -1.814 6.052 1.513 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 -1.538 -15.687 -2.259 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 -5.380 1.731 -3.406 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 -7.909 2.694 -3.986 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 -5.989 7.944 5.810 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 4.907 4.361 12.266 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 -2.195 -2.880 -0.492 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 -13.484 -2.573 10.495 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 -3.525 13.843 -14.047 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 2.717 -1.204 7.436 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 -2.778 -5.363 -21.966 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 9.789 7.643 -5.381 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 -0.944 0.097 0.516 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 -8.441 3.512 0.576 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 -0.622 2.733 5.578 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 -0.855 -0.537 -6.487 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 -10.303 -3.955 -10.470 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 8.451 -7.573 -5.095 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 -2.294 5.221 -1.079 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 13.384 -3.976 -15.917 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 2.235 14.372 8.177 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 0.496 -3.548 3.057 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 -15.345 9.955 -6.841 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 -17.010 -10.987 29.248 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 -9.838 -1.749 0.937 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 -32.085 -2.490 1.693 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 1.515 -0.070 -19.691 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 -4.921 -3.038 -2.318 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 -28.575 11.423 11.587 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 15.696 -1.949 -10.219 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 2.524 0.488 2.203 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 -4.316 27.635 2.764 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 -0.250 16.727 5.753 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 0.811 -1.141 0.848 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 -10.649 5.503 7.162 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 31.458 -15.951 -26.830 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 -2.505 -1.158 -3.616 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 -3.615 2.389 -3.563 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 -10.780 -0.260 0.667 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 9.831 -1.293 1.985 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 9.875 -1.769 0.698 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 9.603 2.611 4.313 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 -2.446 3.727 0.915 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 16.671 21.442 -14.195 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 -0.658 22.149 9.152 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 0.257 -2.055 4.252 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 -9.159 -4.848 13.917 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 -12.737 5.304 4.873 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 2.260 -0.117 -1.955 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 -10.796 -18.010 17.901 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 23.366 -17.066 -12.915 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 -4.160 -0.681 3.116 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 -8.040 8.215 2.495 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 2.447 -1.405 -10.342 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 -2.809 -4.729 -4.086 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 -13.253 -5.890 3.848 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 -4.191 -0.631 1.626 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 -5.194 2.675 5.562 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 -3.335 -0.845 -5.724 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 3.872 9.502 7.818 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 -8.778 1.900 0.721 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 10.799 11.206 0.656 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 7.376 2.217 -14.692 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 -1.103 -1.598 3.105 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 12.588 -1.492 -2.946 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 -11.044 -1.285 13.343 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 -9.691 -0.184 -1.736 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 3.815 7.131 -16.772 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 -26.323 -3.619 18.076 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 -2.724 -6.750 5.582 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 -12.909 -9.055 3.279 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 2.463 -9.656 -4.381 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 0.731 -2.844 -1.949 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 -22.426 -4.071 -15.570 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 12.938 -0.343 -3.631 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 3.184 2.590 -0.231 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 9.684 -8.811 17.025 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 1.701 10.563 8.401 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 -4.794 -5.265 4.837 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 -14.910 -20.435 38.026 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 -8.796 -11.654 17.038 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 -2.810 9.206 0.631 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 14.062 -13.705 -9.731 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 6.362 -2.311 -6.944 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 -1.124 -0.512 -0.834 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 -2.973 12.373 -2.358 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 7.158 7.924 26.599 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 3.267 6.719 0.344 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 15.355 7.443 -3.041 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 -31.409 11.396 1.835 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 1.700 -2.581 6.796 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 -10.595 -5.218 -23.372 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 12.844 -3.661 -23.734 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 2.900 -1.021 -2.429 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 -6.592 -1.095 -15.891 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 23.801 -3.154 -5.495 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 1.401 1.034 -4.088 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 -0.761 -4.888 15.521 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 15.650 10.706 -5.876 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 -0.312 -4.385 7.387 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 18.096 -8.120 9.650 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 -11.966 -46.083 -7.995 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 -2.497 -3.013 4.511 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 8.703 -3.302 1.477 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 -4.530 -10.076 7.653 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 2.768 -7.550 6.094 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 0.082 -10.653 -1.354 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 0.906 12.190 4.821 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 -0.111 -0.815 -0.505 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 -11.354 8.468 12.529 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 1.415 11.472 -11.293 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 -9.445 1.925 0.819 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 -6.883 3.205 -2.032 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 -17.250 7.055 -29.138 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 -5.699 1.737 0.150 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 -3.458 -21.013 16.341 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 -5.652 -6.094 4.622 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 -0.634 -3.616 2.201 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 -25.726 7.739 7.613 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 6.305 -3.073 -5.729 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 -4.293 1.977 -6.754 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 1.746 9.478 5.116 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 7.488 0.606 -13.030 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 0.112 4.684 3.464 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 -3.823 10.225 -14.441 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 -20.064 -24.592 -23.000 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 5.695 2.171 -1.387 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 5.033 -1.141 -0.845 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 6.388 -6.662 30.180 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 -3.305 1.447 11.491 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 -3.362 -4.381 7.872 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 -0.945 4.325 9.071 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 -1.176 3.502 0.238 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 1.157 -4.511 2.000 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 -4.047 7.992 -0.472 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 -14.319 -0.808 -7.780 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 -7.405 5.696 -9.274 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 -23.229 -8.935 -6.940 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 -3.765 -3.342 4.356 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 -22.327 -10.214 14.720 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 8.139 -1.424 -1.961 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 1.773 -3.407 -1.475 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 14.098 -14.829 1.650 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 -1.682 -1.460 1.990 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 2.646 -10.621 2.790 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 5.111 -14.158 9.795 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 4.783 -11.883 7.346 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 -2.628 -3.439 -2.794 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 2.109 -16.864 -5.923 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 -8.912 9.083 3.445 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 4.694 6.919 0.307 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 3.256 1.305 -3.792 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 11.487 4.896 2.645 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 -3.607 -0.089 3.114 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 -14.674 -10.345 7.511 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 -17.605 1.116 5.135 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 -2.285 9.811 1.104 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 3.532 -6.491 -3.588 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 2.634 5.140 -1.331 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 -7.581 3.168 -2.888 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 -1.711 16.762 -13.117 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -16.343 -5.308 -12.266 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 0.075 4.775 3.414 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 1.704 0.894 2.080 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 -31.831 4.449 -3.213 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 -1.426 1.125 -0.973 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 24.898 7.086 4.775 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 -15.971 -36.358 2.978 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 -3.812 2.013 0.420 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 -14.508 -0.787 -7.330 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 -4.415 -34.399 -7.554 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 0.303 5.768 2.429 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 10.167 2.592 0.008 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 -18.930 9.813 9.688 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 -2.087 -2.065 -5.686 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 0.649 -12.450 5.980 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 -10.808 -13.508 4.475 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 0.238 6.051 0.768 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 -3.978 -19.787 7.137 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 11.114 -13.410 11.007 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 3.963 -0.033 8.434 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 1.833 -18.361 -5.277 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 -2.086 -21.310 4.773 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 -4.359 -1.827 -2.466 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 4.707 -5.024 12.382 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 -4.642 15.258 -5.018 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 -5.952 -3.216 -2.738 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 -6.976 -3.397 17.509 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 12.603 -4.593 -14.746 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 5.189 0.937 -0.299 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 4.390 -26.397 -37.321 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 -6.346 8.942 -10.273 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 4.850 -0.195 2.233 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 4.134 1.545 8.531 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 4.650 -1.168 -2.554 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 0.826 0.232 3.977 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 -2.659 -11.065 -26.741 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 0.076 17.565 11.422 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 -7.640 -0.671 3.072 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 -1.601 -0.206 5.393 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 -54.756 -10.628 -2.383 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 7.408 0.397 4.102 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 -10.987 -12.765 -0.515 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 2.935 2.723 4.875 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 -7.031 1.154 0.449 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 -5.957 -1.979 -5.200 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 21.121 -1.249 -12.184 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 -1.341 -2.426 1.901 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 -18.396 -1.502 13.524 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 -20.949 1.904 7.338 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 -1.393 -3.684 4.896 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 -3.334 -1.002 13.811 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 -3.626 -20.471 -14.862 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 -1.884 -3.705 -0.199 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 5.191 -3.960 -24.685 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 -2.952 20.909 9.047 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 5.028 -4.607 1.657 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 8.537 -28.924 5.987 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 1.479 -2.382 -2.312 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 2.879 1.128 -0.374 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 26.291 6.947 -8.535 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 1.142 -16.195 -0.877 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 3.425 -2.202 5.241 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 29.301 -9.967 -23.467 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 11.965 6.043 25.668 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 -2.382 0.922 1.953 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 4.802 -6.503 14.984 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 -3.113 4.540 0.595 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 4.826 -3.596 2.534 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 24.908 12.364 3.080 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 -16.558 -0.417 3.911 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 5.344 -1.697 -6.246 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 4.531 13.029 -20.091 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 -9.378 -7.115 4.192 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 3.249 0.879 -1.294 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 -8.533 -6.988 -13.628 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 0.068 14.804 22.226 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 3.449 1.467 -0.931 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 -0.178 13.705 0.719 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 17.344 1.092 -0.323 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 -1.198 3.228 -3.642 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 8.704 -7.314 -5.721 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 8.087 14.809 -6.185 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 3.160 -2.454 5.439 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 -10.090 -9.395 18.007 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 10.021 8.740 -13.835 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 4.544 -1.169 0.024 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 10.517 -6.318 6.517 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 2.259 -9.445 -0.002 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 -0.126 4.107 -0.054 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 21.022 -7.090 -1.196 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 -5.892 9.326 -12.170 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 0.749 -4.287 -0.330 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 10.986 -31.746 -21.452 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 8.806 9.836 10.061 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 -2.982 5.408 1.414 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 -5.138 12.607 -6.605 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 18.455 -6.342 5.256 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 1.312 1.780 -0.111 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 -7.800 4.533 -2.127 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 -1.462 -7.236 0.202 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 2.154 7.116 -6.352 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 -0.047 4.348 8.907 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 18.462 23.024 -2.878 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 1.016 2.335 5.368 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 -6.727 17.832 11.311 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 -11.001 -0.781 8.172 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 -2.066 4.339 -0.624 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 -9.905 -1.021 -7.682 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 10.508 -7.089 -1.216 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 -1.261 -1.682 5.527 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 -6.044 0.987 6.547 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 11.996 -18.486 2.120 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 0.052 -1.183 -2.083 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 -0.160 -10.924 -4.613 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 -7.363 -8.172 -1.927 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 3.787 -0.027 -1.998 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 -3.471 -12.926 -20.668 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 12.042 -4.288 -5.962 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 1.336 0.244 0.131 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 -22.362 6.088 -10.265 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 -2.018 -9.483 14.058 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 3.100 -0.209 -6.143 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 -8.746 -5.224 -6.325 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 2.302 1.908 5.713 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 1.663 -6.376 -0.427 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 -1.688 -12.897 9.587 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 25.704 -0.519 7.777 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 -1.959 -4.451 -4.306 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 3.133 -6.407 -11.822 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 -32.226 0.845 29.504 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 -4.148 -3.539 2.806 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 12.170 -12.724 21.027 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 17.240 -13.742 2.471 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 0.002 -0.306 -5.435 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 -3.709 7.645 14.636 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 -0.824 2.835 -0.033 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 -0.765 2.430 3.361 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 -12.382 -1.753 12.681 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 0.504 5.157 4.815 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 -2.019 1.169 -3.482 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 -2.149 -11.704 6.662 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 0.951 -24.417 15.246 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 1.685 -5.338 0.062 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 -11.475 -11.988 -2.285 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 14.765 -19.440 -1.500 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 2.530 4.505 6.539 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 6.841 3.026 12.132 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 -5.514 6.536 -3.377 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 -4.119 3.940 1.387 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 16.350 7.675 -4.849 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 2.132 -7.877 4.752 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 4.315 4.531 -3.849 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 6.784 8.699 -1.455 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 1.651 7.875 -5.527 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 0.134 -1.816 -4.781 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 1.279 -2.156 -5.098 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 13.748 -6.156 -7.859 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 -4.389 0.183 3.672 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 -6.722 6.153 9.056 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 -5.556 4.059 11.938 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 -2.831 -7.013 -0.587 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 4.333 -6.275 4.063 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 0.490 1.646 11.553 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 2.273 3.647 8.013 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 -0.864 6.147 -3.872 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 -0.984 -12.106 16.076 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 -6.441 3.267 4.645 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 -6.489 3.868 0.928 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 -2.349 3.120 9.883 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 0.018 -1.849 2.188 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 -3.638 -5.685 5.424 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 1.315 -2.899 1.328 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 1.990 0.716 -1.860 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 -19.055 8.269 2.321 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 2.248 -20.467 7.836 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 -10.284 -5.202 -1.223 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 -24.833 -5.677 -9.107 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 -0.951 -5.668 2.578 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 7.564 -0.307 6.467 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 -20.509 -4.913 9.353 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 16.224 2.558 -7.837 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 -3.728 -1.017 -2.048 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 10.935 14.087 0.530 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 -18.194 -23.091 -16.356 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 6.233 2.480 4.228 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 14.632 -9.757 7.304 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 -4.299 3.142 -4.208 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 2.579 -1.251 -0.159 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 2.220 2.013 1.687 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 3.254 -2.367 -0.619 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 -2.177 -3.924 3.266 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 8.322 -1.388 8.638 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 1.972 -14.751 1.148 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 5.530 1.364 -4.904 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 2.047 18.802 -29.910 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 7.047 -7.776 8.146 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 -7.135 -1.860 -0.607 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 1.317 5.277 13.512 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 -21.669 -10.644 -15.678 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 3.737 3.788 -2.658 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 0.012 -7.526 16.569 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 6.652 4.486 -8.252 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 -6.544 -4.191 6.535 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 -19.334 -8.709 0.273 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 9.808 -22.623 14.323 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 0.093 -4.059 2.431 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 0.005 0.743 -7.109 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 15.366 7.725 -10.415 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 0.702 4.839 0.405 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 -2.519 14.429 -8.657 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 11.927 -9.570 5.605 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 3.607 4.327 -0.460 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 -16.530 -0.672 6.707 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 -2.422 -2.703 -17.168 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 2.884 5.186 2.905 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 -0.609 15.658 -12.606 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 2.550 -10.072 3.798 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 -0.863 2.714 -6.224 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 7.547 5.501 -20.513 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 18.991 -25.441 9.532 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 4.444 0.690 -3.986 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 -12.314 9.268 -16.760 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 -5.574 17.341 -3.626 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 1.275 3.154 -2.085 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 -16.448 14.995 7.481 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 10.776 -4.164 -9.286 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 -3.020 -2.349 -0.370 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 -4.777 -1.833 -0.151 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 13.480 -3.521 2.405 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 3.036 -3.529 -9.564 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -3.196 11.042 -6.117 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 -0.897 -4.948 2.202 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 -0.015 2.813 -3.883 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 8.686 -2.213 -17.788 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 18.956 17.844 6.556 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 1.160 -5.388 1.103 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 -10.413 11.067 -7.776 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 10.628 27.071 7.132 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 -4.818 1.241 2.088 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 -4.915 -3.007 0.030 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 -8.331 -4.346 1.783 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 -8.437 1.890 0.960 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 -15.144 -4.192 -2.405 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 1.752 -3.862 -5.478 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 4.117 1.166 -1.435 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 -16.761 16.292 -7.855 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 -30.305 4.589 1.381 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 -6.708 1.055 -5.532 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 2.001 -4.332 3.740 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 -5.135 0.378 -3.930 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 1.048 1.794 -0.124 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 5.989 18.285 -3.320 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 -10.198 14.026 -17.392 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 0.582 1.705 -3.189 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 16.339 14.078 2.468 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 10.976 -24.112 -4.203 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 0.082 -2.580 0.467 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 -1.459 7.916 -21.751 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 6.953 -2.225 -9.489 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 2.222 2.996 6.718 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 22.797 2.598 7.818 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 7.877 -13.855 7.809 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 6.057 0.343 -2.403 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 4.232 2.888 2.123 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 0.736 -13.421 -13.326 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 3.387 0.120 -5.230 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 -4.401 0.045 -3.952 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 -0.222 3.949 -13.530 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 4.077 -2.939 1.168 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 11.540 -7.757 -7.863 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 -5.003 -15.708 -21.802 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 0.495 2.955 3.764 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 -9.819 7.804 5.989 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 8.734 5.018 -16.416 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 2.751 -6.735 2.820 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 9.186 -3.776 3.565 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 26.451 3.800 -3.682 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 6.163 -4.557 3.461 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 0.813 3.123 5.183 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 14.919 -16.857 1.781 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 -2.886 1.846 1.467 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 -26.021 14.669 -2.796 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 -6.620 6.975 2.198 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 5.720 3.636 4.653 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 -5.881 -1.040 21.038 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 14.456 -2.397 9.058 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 1.597 -4.060 3.963 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 16.125 -11.752 -15.989 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 28.574 -3.868 9.389 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 -1.183 7.532 2.579 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 -3.504 -1.711 -2.896 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 7.093 18.220 10.189 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 -1.232 -0.686 1.500 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 -10.935 -4.080 9.913 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 -10.143 0.569 8.013 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 1.426 -2.471 0.120 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 27.636 2.659 -17.636 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 -2.587 -14.775 -5.691 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 2.039 4.585 2.755 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 -6.701 -34.974 3.749 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 -26.601 -17.391 16.683 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 3.757 3.537 -3.471 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 4.781 -0.845 7.336 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 8.745 12.486 -6.110 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 1.180 -2.460 -1.725 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 -0.927 17.787 -5.623 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 -0.145 2.947 -14.782 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 6.313 -3.358 3.126 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 -10.677 11.792 9.884 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 -1.659 12.963 -10.907 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 5.107 -3.358 -4.865 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 15.826 -17.790 -14.269 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 -5.882 8.565 3.090 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 4.689 2.322 0.031 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 3.146 11.516 4.251 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 3.006 -2.888 6.056 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 -0.843 1.216 -3.478 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 1.747 4.602 -7.591 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 -2.434 6.768 8.059 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 1.729 -1.306 -1.301 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 17.438 4.250 -14.595 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 3.089 12.303 16.875 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 0.632 2.653 -2.211 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 -4.335 19.997 -1.415 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 -2.452 11.346 -9.688 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 5.134 2.006 -0.455 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 18.628 2.573 18.342 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 15.903 -0.348 -22.159 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 -0.456 -2.276 -2.900 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 25.441 -2.958 -7.302 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 13.146 -3.806 -5.078 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 2.534 -0.168 0.823 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 6.453 -8.826 10.328 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 1.051 -1.069 0.326 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 1.545 1.045 -7.918 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 -8.013 0.133 16.241 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 16.693 -15.632 -14.403 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 -2.444 9.715 -0.097 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 2.408 17.278 12.867 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 4.945 15.390 0.544 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 -3.575 2.245 6.522 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 6.080 3.034 19.619 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 3.598 18.890 15.703 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 4.491 6.074 -1.950 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 11.814 16.268 -7.578 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 7.781 13.535 10.806 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 1.800 0.212 -5.989 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 -10.306 -3.167 -0.307 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 -1.314 0.092 -18.650 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 -4.254 3.404 -0.934 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 -11.434 16.188 -3.435 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 -1.456 2.665 12.808 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 7.448 -10.800 0.128 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 -7.615 -2.860 2.285 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 -2.223 -12.793 -2.338 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 2.053 -2.765 2.717 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 -28.629 8.484 -26.545 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 -7.110 1.873 -1.683 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 -0.137 -1.825 4.385 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 2.585 0.846 -5.442 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 9.485 -10.561 8.563 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 0.958 4.196 0.233 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 -7.482 7.709 -2.570 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 -6.028 5.617 -2.904 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 -2.909 0.614 0.643 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 2.070 -1.319 -6.406 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 -3.881 2.548 -6.683 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 0.245 1.961 4.421 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 -7.580 -8.787 4.958 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 -0.676 6.209 -4.916 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 3.740 0.284 4.361 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 0.541 2.587 7.083 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 4.329 5.768 12.853 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 -4.168 9.135 0.451 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 -7.486 29.912 -18.709 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 5.860 31.487 -7.263 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 -3.826 -0.593 1.783 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 14.983 15.059 -3.538 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 -15.264 -4.356 -5.370 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 3.163 2.747 5.631 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 -14.503 -15.782 13.372 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 -6.620 5.155 11.718 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 1.715 -4.295 -5.828 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 -5.943 -20.034 -16.049 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 10.245 12.718 -11.024 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 5.205 -7.072 1.552 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 5.379 0.562 13.630 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 -15.091 -14.852 5.386 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 -0.181 1.905 -0.697 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 -9.640 8.091 -10.621 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 -12.542 8.229 1.539 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 -6.460 -3.565 -5.566 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 -8.717 -15.687 -3.835 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 -20.104 9.164 -25.948 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 -7.520 -1.890 -4.226 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 -6.353 0.094 -2.405 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 -11.499 -7.414 -5.546 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 0.889 -6.871 0.216 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 -15.220 5.039 -18.392 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 9.689 -13.601 3.824 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 -6.561 -0.501 2.833 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 -17.210 -2.963 3.178 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 -1.067 -8.738 6.073 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 -0.812 4.339 3.701 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 15.462 -6.547 -0.132 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 11.427 -9.329 4.268 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 -0.780 -5.297 4.910 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 11.399 -12.580 2.977 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 -4.672 0.259 -6.412 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 2.510 -2.357 -1.655 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 4.377 -4.296 -1.206 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 5.600 -10.735 3.609 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 2.087 2.870 3.074 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 2.718 0.689 1.092 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 -2.325 3.814 -8.803 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 -3.297 4.723 -0.282 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 -3.572 10.302 23.378 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 12.716 8.695 -2.614 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 -2.767 2.242 -3.857 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 1.506 -10.805 9.665 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 6.467 5.876 0.446 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 -1.206 1.203 4.814 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 -0.940 -22.061 -10.359 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 -0.328 10.724 9.599 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 0.206 8.090 -0.845 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 -3.428 11.904 10.490 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 -10.612 6.493 0.847 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 3.453 -1.421 0.522 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 -2.827 14.145 -4.834 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 26.393 -0.160 -16.132 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 -3.027 -2.945 2.499 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 2.191 -24.810 3.370 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 -16.331 1.534 12.497 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 2.335 0.838 -4.453 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 -14.559 22.472 3.755 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 -7.799 1.689 -37.664 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 3.249 1.835 2.923 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 -1.758 -11.083 16.198 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 13.352 9.024 12.147 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 4.477 -5.201 -0.569 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 -12.288 -32.909 -11.530 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 9.772 12.647 6.247 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 5.645 0.743 -7.400 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 3.910 1.078 -9.077 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 7.062 -0.361 -8.910 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 0.551 6.884 0.935 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 -23.894 -10.702 17.967 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 -21.990 -12.408 0.369 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 2.950 -13.755 -6.591 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 11.646 -10.513 -5.788 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 -5.351 -11.185 -9.042 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 -1.546 0.076 -5.004 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 -7.731 -5.487 -30.930 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 -6.429 -8.477 -22.677 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 -0.442 -0.455 -6.082 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 2.415 -14.556 -5.252 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 1.018 -6.333 -6.837 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 -0.866 6.616 2.579 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 23.234 4.092 13.383 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 9.627 -14.625 11.559 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 -0.363 -4.430 2.407 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 -22.013 1.803 3.043 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 6.010 2.556 15.686 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 -0.815 4.338 3.185 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 -0.972 -8.858 0.570 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 -15.479 3.052 16.772 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 0.269 -4.071 4.997 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 13.203 13.816 7.772 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 6.862 9.216 7.003 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 3.325 -7.469 4.142 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 14.419 -14.183 -2.351 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 -1.482 -1.431 8.699 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 0.227 4.413 1.816 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 5.819 9.010 1.917 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 8.146 3.216 10.104 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 -0.524 2.588 3.329 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 12.973 14.600 -15.633 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 -4.468 11.869 29.370 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 4.493 5.122 0.128 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 -1.784 -0.800 -7.992 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 13.514 4.413 -0.062 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 -2.884 -6.106 0.871 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 -0.932 -8.659 4.695 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 2.607 -17.538 2.712 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 6.879 -2.494 1.216 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 5.026 4.906 -1.042 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 5.773 3.656 -1.606 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 -2.048 5.919 -4.602 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 -6.176 28.060 -6.372 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 -1.686 8.705 -22.768 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 -7.108 0.679 -0.338 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 -6.734 14.047 -9.709 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 7.152 2.479 18.380 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 -1.793 7.183 -2.184 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 6.364 11.751 2.430 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 10.350 -9.350 -3.347 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 0.260 -3.997 3.861 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 -0.887 1.906 8.242 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 12.034 1.213 25.871 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 -2.436 3.684 6.904 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 6.386 -4.939 -4.638 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 15.667 -17.218 13.753 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 -0.874 -6.948 -6.182 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 -22.351 -7.737 -9.876 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 5.067 -12.322 -20.489 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 -1.714 -7.797 -3.468 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 14.196 31.507 -9.724 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 -6.631 -17.948 0.959 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 1.388 1.629 4.046 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 5.290 15.792 6.441 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 7.847 -3.806 5.122 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 0.470 -3.646 -1.100 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 -9.501 12.366 30.349 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 12.421 -11.646 -11.083 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 -3.981 5.324 1.171 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 -0.041 -17.972 -26.522 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 -9.065 -2.200 -8.150 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 -3.463 6.051 -2.592 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 1.588 -15.053 -6.661 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 -9.638 -13.123 13.989 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 -4.095 -3.709 3.608 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 -11.466 -2.710 0.019 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 15.592 -0.185 16.726 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 1.736 -0.238 -0.467 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 1.326 -3.059 9.046 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 -3.371 7.648 -1.210 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 -4.708 1.444 1.731 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 6.910 -7.992 22.706 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 -8.909 5.067 -5.459 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 0.423 -2.002 1.878 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 2.527 19.791 -7.492 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 -18.541 -4.012 -12.232 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 -6.651 0.814 -2.910 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 5.480 -6.772 -4.157 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 5.629 -20.883 15.363 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 -0.127 1.637 -0.734 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 2.420 4.218 -0.016 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 5.519 -1.164 8.669 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 -5.948 -5.631 -1.959 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 -6.059 -11.589 0.299 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 -9.341 8.604 8.532 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 1.678 -0.258 4.466 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 10.264 -11.546 0.127 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 -0.460 5.108 5.709 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 3.295 -1.044 -6.024 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 -1.046 -11.845 12.636 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 1.966 -7.826 -4.350 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 5.465 -6.785 0.896 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 16.229 8.995 12.552 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 9.154 -12.678 16.777 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 2.584 -3.046 -2.029 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 -6.239 -3.831 -9.268 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 -24.705 -4.212 -28.481 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 2.996 -1.774 -1.437 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 9.305 -17.279 -5.207 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 -7.867 8.865 11.913 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 0.209 3.770 -8.699 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 4.005 3.647 4.546 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 1.415 4.041 -5.346 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 5.286 -2.820 6.932 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 -7.823 0.034 15.978 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 4.343 -38.114 20.145 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 -4.085 -2.023 1.959 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 -20.359 3.979 8.456 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 -18.726 16.555 38.437 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 1.646 -0.958 -0.257 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 -23.711 0.817 -3.326 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 9.612 -7.573 -5.426 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 1.062 -1.247 -1.234 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 23.007 16.391 1.869 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 -14.958 -1.888 16.352 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 -5.938 7.818 -4.076 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 -8.436 -5.483 -7.027 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 -33.102 28.653 -14.648 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 -0.180 4.263 -1.693 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 -32.585 1.529 3.384 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 -3.252 -18.934 -2.729 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 6.141 -1.884 -13.392 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 11.635 16.628 -13.853 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 12.083 -5.269 1.622 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 1.788 -5.476 3.965 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 13.350 6.943 12.964 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 -2.761 0.609 0.258 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 -0.053 -1.853 -3.355 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 2.090 16.909 12.101 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 12.498 -25.381 -5.445 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 4.886 -5.556 5.751 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 8.717 1.134 6.170 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 -14.609 -0.032 12.774 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 1.890 -5.440 -1.464 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 0.866 -11.700 -6.597 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 -16.706 -21.973 4.017 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 2.073 -6.606 -6.557 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 3.874 -7.216 -14.801 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 -0.874 -7.427 9.770 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 -1.212 -8.118 0.649 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 15.895 -3.310 -4.029 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 36.307 3.945 7.187 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 -5.580 3.984 6.512 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 -22.329 17.434 29.964 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 12.471 -5.735 10.604 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 -5.513 2.407 2.407 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 -8.007 -3.547 19.521 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 -14.101 3.237 13.511 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 3.923 -4.259 2.022 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 -6.550 17.872 -1.917 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 -3.559 -24.784 -3.819 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 -2.301 -6.611 -1.879 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 6.565 -14.380 39.064 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 7.703 -2.218 -10.378 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 3.000 -0.438 0.343 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 -19.343 3.764 1.190 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 -12.841 6.497 -3.320 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 6.200 5.265 -4.293 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 10.236 13.581 -4.300 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 12.301 5.645 -2.181 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 -7.059 1.308 3.089 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 -0.025 -3.110 -9.850 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 16.701 2.273 16.289 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 3.712 1.830 1.810 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 9.271 -4.097 13.287 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 8.138 12.495 5.747 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 2.290 4.418 2.763 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 7.935 18.499 -5.832 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 -5.307 1.968 4.903 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 -0.659 -1.949 2.374 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 -16.747 -3.495 1.738 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 4.064 -9.704 16.277 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 -7.756 -0.835 0.565 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 -7.794 -8.250 -2.700 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 -2.018 -8.721 3.242 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 2.284 0.956 7.814 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 10.949 10.744 4.329 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 2.817 7.875 28.510 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 9.265 -3.721 -2.432 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 10.893 -7.047 7.921 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 21.737 11.147 -11.020 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 -5.691 -6.662 -0.683 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 19.862 8.920 3.085 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 -25.241 -6.776 0.225 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 2.824 -0.639 -1.171 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 11.334 -4.031 29.484 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 -8.576 16.213 -16.467 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 5.727 7.055 0.622 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 4.753 23.778 7.577 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 -20.546 -19.684 17.152 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 -5.608 1.198 -1.413 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 -13.539 10.160 -34.389 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 21.335 -4.114 -3.600 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 7.120 -0.211 -2.534 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 3.347 -2.117 5.041 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 2.408 -3.333 5.974 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 -4.777 -2.425 -1.810 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 1.466 -0.603 0.878 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 -23.674 -0.687 -14.667 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 -1.659 -0.742 5.478 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 -27.258 -1.407 3.794 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 12.075 2.749 18.084 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 5.651 -0.137 -0.404 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 6.204 -5.303 10.786 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 25.703 -13.101 -1.573 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 3.396 -4.244 -5.678 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 9.351 8.022 7.755 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -7.102 -29.629 -22.139 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 -2.283 -0.460 0.547 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 3.634 18.253 12.930 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 15.055 -21.335 -17.730 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 -2.346 0.822 -4.018 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 -0.964 -5.327 2.014 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 -20.014 -1.165 -20.424 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 -5.932 -0.454 3.300 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 13.567 -16.896 9.307 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 -6.283 17.598 8.390 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -0.826 5.777 2.846 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 2.908 15.509 8.580 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 -12.539 6.340 3.351 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 5.042 -8.368 -4.339 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 10.001 -15.001 -15.955 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 13.509 -0.045 1.546 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 -2.402 -0.685 7.554 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 -19.136 -4.288 4.086 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -23.337 -18.344 21.200 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 3.793 6.513 -3.084 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 -1.150 0.577 2.138 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 13.045 1.028 -10.443 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 -0.214 -3.524 0.045 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 9.059 -1.023 -1.439 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 -2.855 -8.864 -6.185 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 5.978 -0.891 2.643 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 1.823 -3.544 7.699 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 -11.129 1.350 8.863 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 4.157 2.567 -6.647 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 19.299 2.569 -2.743 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 12.552 1.254 -1.106 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 -3.238 -2.963 -0.267 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 -1.710 -4.753 -2.931 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 6.284 -6.977 10.523 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 11.009 2.868 -1.423 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 2.606 11.813 4.760 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -3.715 13.340 -10.222 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 -2.550 1.858 2.114 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 -11.360 16.261 -5.771 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 13.661 -6.011 -12.155 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 -3.123 -0.317 -3.724 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 3.200 6.873 -1.577 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 -13.092 1.593 -5.552 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -3.979 2.185 5.841 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 2.839 0.916 3.536 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 14.235 2.364 -1.695 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 0.122 -4.231 -3.530 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 -13.546 -7.565 1.440 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 10.046 -6.338 -4.736 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 2.896 6.139 2.068 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 -10.002 -8.547 22.121 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 -5.668 23.533 9.355 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 4.472 4.489 3.789 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 26.143 10.345 -2.529 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 7.856 9.825 -2.998 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 1.855 -5.742 2.760 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 5.029 5.269 12.467 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 15.385 -11.009 -3.204 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 2.691 -8.083 -3.758 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 44.667 13.892 -15.647 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 8.729 23.733 4.633 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 6.628 -4.441 -2.947 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 24.834 -6.027 -2.156 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 5.868 12.442 -14.130 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 2.132 9.749 2.630 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 0.378 -1.013 -3.257 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 -4.277 4.659 8.803 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 -1.637 -2.312 -2.325 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 2.516 -4.263 -11.643 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -6.175 1.314 9.673 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 -1.434 -2.854 -12.628 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 -1.996 40.338 15.267 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 0.618 5.737 -6.021 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 1.948 -3.271 -2.210 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 -1.026 7.190 -1.455 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 -5.395 -10.342 -0.597 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 -6.749 0.613 4.892 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 -0.365 -0.727 -25.694 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -9.828 8.051 -5.415 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 6.122 1.941 -1.651 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 12.412 21.171 1.899 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 -10.788 10.698 3.033 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 -1.475 -0.770 -4.937 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 -13.984 -6.135 -5.702 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 -6.261 -3.511 -6.312 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 -2.063 7.191 -0.066 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 -3.518 1.811 -11.758 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 -9.234 3.283 4.960 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 -0.284 -3.748 -0.163 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 0.324 -4.929 5.942 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 4.305 1.793 -28.787 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 -1.809 -0.281 -2.789 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 19.260 -5.276 18.304 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 -8.091 -26.826 -10.819 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 -6.900 1.763 2.471 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 -26.083 -7.449 3.605 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 1.258 6.032 2.281 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 -0.283 1.926 -5.589 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 -11.216 12.652 13.530 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 -2.224 8.665 -11.839 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 -3.236 7.216 -8.083 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 -14.568 -5.734 -10.894 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 11.921 -0.555 11.406 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 3.157 1.414 0.965 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 0.256 -12.122 -0.866 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 -4.508 15.487 2.867 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 4.107 -3.470 -3.683 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 18.167 12.074 16.107 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 8.912 -8.402 -4.086 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 1.701 -0.410 -3.279 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 8.574 2.935 -18.327 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 13.841 0.672 28.965 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 1.378 -3.592 -3.049 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 15.705 1.157 -17.151 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 -2.980 -7.528 -9.548 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 5.210 1.641 7.163 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 16.118 6.775 1.018 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 -5.527 7.194 -5.392 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 -1.266 -1.204 -2.466 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 5.720 17.498 -29.972 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 -0.516 -2.063 -2.567 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 -4.631 -2.755 2.741 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 5.379 -8.252 5.293 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 3.833 -3.796 5.862 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 2.574 5.625 0.463 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 -19.312 12.647 9.576 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 17.086 14.517 13.592 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 3.255 0.456 -2.412 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 7.544 -5.852 -3.623 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 4.784 -1.195 1.683 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 0.392 0.045 1.900 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 -14.118 -11.307 -2.490 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 -0.717 -0.801 -8.144 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 3.579 -6.671 -0.439 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 -5.886 -13.856 -1.757 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 5.254 -6.701 11.631 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 1.980 -3.346 -3.849 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 2.113 -3.818 -6.919 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 5.896 -15.939 -19.466 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 1.548 0.016 -0.104 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 -19.980 -12.757 6.291 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 2.487 -35.005 -9.799 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 -7.067 2.196 3.871 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 -4.995 -9.127 -5.586 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 -6.780 28.713 10.731 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 -0.712 2.138 1.101 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 15.453 21.474 9.482 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 3.984 -26.850 1.255 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 -11.374 -1.778 2.109 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 3.872 6.576 -35.790 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 9.300 3.019 24.598 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 2.926 -6.667 2.214 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 3.793 -8.456 5.814 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 -18.330 22.291 0.050 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 -1.966 0.711 0.306 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 -8.783 0.745 -8.596 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 5.587 -22.426 12.365 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 -2.987 0.160 -5.558 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 -2.506 9.600 -0.712 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 1.388 9.479 24.701 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 3.938 -1.829 -2.136 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 -1.159 -13.199 -11.808 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 -7.087 -11.160 9.030 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 1.341 -4.277 2.032 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 -6.977 -3.847 -7.480 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 2.361 19.814 -2.155 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -4.716 6.462 -0.453 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 19.967 4.989 -5.067 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 11.413 4.351 -9.944 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 2.269 -1.727 3.556 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 -2.841 15.593 -13.022 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 24.014 -10.353 0.066 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 5.727 -4.355 2.537 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 1.621 14.040 6.021 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 12.582 4.272 10.175 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 8.104 5.522 3.510 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 -25.555 14.246 6.930 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 11.875 0.815 0.504 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 0.449 -3.488 4.115 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 9.034 -17.199 -5.358 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 -5.936 -3.441 1.835 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 -1.987 -5.143 -5.607 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 -13.221 -2.880 -2.370 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 3.850 -25.426 -12.690 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 -4.246 -0.552 -1.731 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 -4.819 0.214 -1.640 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 -4.519 4.129 -0.451 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 -0.769 3.786 -1.716 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 -1.816 7.846 19.407 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 -11.497 1.424 -33.931 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 -3.271 -2.306 2.150 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 6.462 -6.079 -2.902 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 -6.512 8.787 5.989 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 -1.270 -0.693 -1.310 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 11.293 -3.719 8.519 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 -14.287 -4.693 5.819 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 -3.764 3.050 3.515 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 5.217 14.916 -7.182 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 -13.852 -20.245 8.800 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 -6.138 -3.627 4.912 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 -5.797 0.876 6.132 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 -8.580 -13.692 11.506 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 0.597 2.403 3.695 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 7.536 -3.782 -6.358 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 -0.950 9.226 4.332 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 8.777 -3.758 0.757 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 9.861 -21.527 -17.033 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 -9.420 1.513 5.373 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 -2.915 1.769 -10.778 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 -8.307 5.798 -10.403 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 10.032 -9.295 -1.188 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 -5.341 -0.627 -2.301 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 8.463 -4.056 3.997 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 -9.062 11.543 3.699 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 -4.248 -7.927 1.860 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 -15.944 -19.439 2.690 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -0.360 -4.941 2.571 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 1.987 -3.138 -2.091 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 15.590 -5.385 -2.342 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 5.765 -2.964 -9.237 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 6.137 2.582 1.992 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 7.452 -0.715 4.457 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 10.975 -3.514 21.885 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 -4.854 -0.312 -6.915 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 -2.682 5.986 -8.030 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 17.802 -14.408 -0.881 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 5.144 -1.991 -5.680 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 10.033 -10.687 -7.087 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 15.504 1.456 0.928 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 -0.177 -4.463 -2.628 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 -4.521 6.098 4.429 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 3.738 25.151 -8.761 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 4.167 -3.899 6.097 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 22.689 -1.755 23.244 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 14.671 5.653 -17.081 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 -3.558 1.572 -2.782 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 1.744 10.776 -4.980 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 -14.700 4.506 -5.698 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 3.396 -2.742 1.191 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 6.146 2.000 10.068 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 0.627 -24.573 -12.295 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 1.227 4.812 1.260 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 2.032 15.949 17.920 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 2.073 9.605 6.017 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 -0.525 -3.051 -0.108 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 -8.291 -2.556 -11.286 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 4.567 8.510 5.106 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 4.848 3.498 -5.405 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 10.372 9.255 8.938 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 -0.562 4.204 3.964 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 1.321 -3.206 -6.060 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 -17.127 -6.015 -14.292 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 -3.029 -14.020 -11.158 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 0.498 0.760 4.365 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 7.080 14.538 1.143 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 4.550 -6.323 -19.002 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 1.365 -4.583 2.649 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 -19.571 -10.102 -7.214 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 -18.939 -18.892 -14.437 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 -0.080 -3.012 -2.111 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 0.499 -16.562 -0.276 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 1.420 4.215 -10.998 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 5.603 2.685 -3.234 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 -24.620 3.684 22.982 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 8.071 -2.515 -5.192 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 -1.428 3.166 -0.709 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 -3.801 2.068 1.159 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 26.014 17.851 -8.349 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 -1.436 -5.978 -5.520 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 -1.382 5.446 -9.459 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 -0.719 -14.722 6.262 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 -1.030 -4.403 -1.436 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 -13.823 -2.328 17.262 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 9.988 11.079 2.055 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 -3.103 -2.608 -1.908 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 7.847 11.376 5.532 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 -5.083 -16.386 0.588 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 -2.234 0.575 2.132 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 -0.487 5.885 14.856 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 -14.181 -10.980 4.164 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 -3.185 -0.486 1.868 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 9.984 -14.780 -12.003 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 -4.199 -3.735 -0.820 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 -3.817 -1.262 1.709 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 -4.569 -6.287 -2.763 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 0.194 5.306 -14.351 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 -8.158 -3.070 2.709 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 0.793 -19.211 -20.636 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 -1.568 -13.943 -14.124 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 2.399 0.860 -0.753 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 -4.482 2.632 -10.552 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 13.724 1.091 5.831 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 -5.113 0.194 1.635 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 1.297 -1.764 8.422 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 2.397 -5.602 6.250 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 5.817 6.978 -3.824 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 -1.827 2.693 6.688 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 -33.337 -1.042 18.208 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 1.890 2.942 -1.357 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 -18.896 34.712 27.011 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 21.702 -18.990 14.814 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 -1.258 -0.237 -1.866 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 -14.545 -23.115 -13.206 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 -11.710 -18.450 6.673 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 -2.375 0.410 0.419 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 8.421 2.722 21.362 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 4.696 0.626 8.467 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 7.661 2.553 5.999 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 -8.096 -2.134 -4.586 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 16.726 13.513 -11.494 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 -2.624 -8.159 -0.741 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 -20.110 -7.063 3.665 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 6.366 -2.692 8.143 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 -0.749 -2.092 -12.455 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 -1.803 2.141 -19.225 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 2.563 -1.825 -17.264 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 -2.311 -0.872 -3.705 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 12.573 13.239 -4.511 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 -16.206 -12.922 -2.430 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 6.742 -8.596 0.114 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 24.067 -15.534 -11.668 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 13.622 -8.054 1.078 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 2.808 -2.920 0.788 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 4.768 -6.993 -8.414 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 7.384 -7.278 -1.364 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 0.641 4.961 0.654 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 -11.850 -3.753 -10.548 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 15.871 -1.404 4.198 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 1.886 1.016 3.217 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 0.184 32.054 -11.452 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 31.493 -4.732 3.178 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 -8.330 1.568 0.275 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 -16.629 4.887 10.874 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 -10.155 -11.971 -16.871 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 -1.759 6.039 -4.149 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 -15.483 15.533 -12.348 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 6.977 -1.047 -7.384 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 -3.710 6.861 -0.680 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 -11.340 19.596 -10.026 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 -31.629 25.395 14.561 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 -0.053 0.631 -4.396 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 -37.647 23.771 5.230 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 -11.187 -0.272 11.146 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 -5.954 -1.305 -8.062 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 17.068 -7.547 -3.356 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 -8.792 -2.143 -9.588 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 1.757 -1.678 8.576 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 -5.652 -9.481 -4.637 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 -4.836 -4.608 -1.598 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 -1.819 0.215 -4.203 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 -7.020 -10.159 -3.068 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 -7.744 6.620 2.736 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 -5.314 -4.565 -0.679 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 -8.991 -22.667 4.360 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 -7.056 5.461 -1.324 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 13.114 -1.532 1.027 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 10.614 6.535 25.405 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 28.521 6.590 6.962 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 0.861 -5.878 1.598 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 13.122 -7.825 4.911 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 -6.796 13.790 -3.440 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 -6.144 0.234 -1.420 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 -22.446 8.298 1.989 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 -30.954 -10.615 7.963 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 -7.262 -1.491 4.165 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 -2.917 -5.346 2.175 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 -5.249 -22.298 14.620 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 3.085 -0.350 -0.144 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 3.336 15.770 -7.210 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 9.048 -9.066 16.068 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 -0.061 -1.104 -4.259 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 14.319 -24.180 -3.423 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 -4.256 -9.916 -12.211 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 2.702 -2.184 1.129 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 20.026 5.412 4.579 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 -11.736 -6.075 4.580 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 -2.878 -7.239 -1.950 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 -8.702 3.976 -17.296 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 2.659 -0.611 -8.169 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 -3.192 4.820 -1.050 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 1.999 -4.450 1.689 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 2.693 -6.044 2.767 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 -6.826 -1.631 -9.443 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 -4.623 -10.062 -7.385 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 -0.122 1.148 -15.929 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 4.478 0.310 -1.836 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 -9.849 -5.795 -3.085 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 0.886 1.903 13.826 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 -0.827 -4.459 -0.181 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 -2.783 -4.077 -1.278 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 4.021 -3.368 1.401 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 -5.782 7.223 5.383 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 3.916 -3.266 26.509 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 -6.820 0.084 12.358 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 3.534 -0.458 3.229 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 -6.104 -9.419 -6.429 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 19.096 19.410 42.178 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 8.127 1.912 6.577 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 3.299 -1.945 -2.311 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 12.206 13.950 2.113 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 1.163 2.551 -1.569 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 -5.797 12.575 1.157 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 6.394 3.746 1.055 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 -4.179 -1.025 -9.184 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 -5.373 14.709 -4.098 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 -17.206 20.263 -7.796 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 -5.878 -0.662 6.961 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 -10.202 12.444 -6.067 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 -5.299 2.965 2.811 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 2.771 0.104 3.115 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 17.758 6.468 13.452 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 1.138 9.754 -16.587 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 2.022 -3.169 -1.717 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 -22.936 -10.950 -3.118 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 10.657 4.120 0.404 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 -7.278 5.384 -0.807 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 8.727 -15.091 -2.470 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 -1.283 14.170 -3.400 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 5.170 -0.482 -5.875 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 5.993 -0.417 -7.490 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 -6.714 19.262 20.620 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 -1.477 -2.247 5.737 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 -5.125 -26.850 -4.321 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 -4.931 -19.762 -13.459 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 -3.974 -0.136 -3.339 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 -3.958 23.730 19.402 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 -13.426 5.302 8.401 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 -2.226 5.123 -1.866 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 -13.384 10.642 20.937 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 3.852 6.607 -10.157 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 -3.007 2.521 4.229 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 10.221 -6.387 -0.908 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 -8.254 17.499 -7.103 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 -2.036 1.687 -6.764 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 -7.268 -2.784 24.630 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 5.813 7.360 9.882 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 4.511 2.364 -0.733 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 -4.051 -4.854 10.065 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 27.345 8.471 -17.959 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 -0.527 3.797 -3.796 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 -5.108 9.448 -11.130 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 6.577 -7.621 -29.426 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 0.450 4.060 2.803 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 -8.787 -9.574 20.106 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 5.948 -4.802 -10.865 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 0.108 -5.055 3.237 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 7.239 -3.052 -13.434 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 1.787 6.593 3.520 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 -0.367 4.500 -1.302 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 10.498 -12.595 5.038 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 30.121 -23.738 0.489 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 -0.541 2.511 -0.667 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 -15.241 6.065 -5.041 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 13.472 7.253 0.284 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 -8.227 1.497 -2.259 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 -13.364 1.807 0.938 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 -15.196 -21.939 -16.548 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 -2.290 1.234 -0.490 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 -2.563 -16.301 3.256 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 14.811 -0.742 -0.355 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 4.594 -0.673 4.552 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 -2.035 1.222 0.395 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 0.346 -5.992 2.475 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 -5.122 -4.090 1.397 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 5.687 0.989 25.482 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 -0.883 -8.359 -1.123 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 5.170 -0.980 -0.190 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 -3.498 -8.501 2.212 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 6.120 6.766 -1.344 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 3.425 -1.686 7.558 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 17.438 -4.106 -25.014 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 23.009 -5.150 -20.985 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 -4.813 2.771 -2.611 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 3.303 -5.271 5.456 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 -2.779 -4.367 3.502 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 6.031 5.359 -1.741 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 5.980 -0.036 -0.988 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 15.077 -22.846 -7.621 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 5.906 4.191 -14.688 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 11.651 5.573 -10.122 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 17.333 -0.310 -13.748 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 -5.208 -0.545 -1.336 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 -8.689 2.147 -6.887 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 -24.279 19.842 -15.065 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 6.011 4.951 -3.660 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 -18.080 -9.783 4.045 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 -6.736 -0.317 -5.468 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 1.838 0.829 4.006 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 2.379 1.233 2.953 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 -0.808 0.141 2.649 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 -4.225 -7.207 2.531 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 -9.684 -6.558 4.443 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 -2.495 -18.120 2.053 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 1.682 5.660 1.719 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 5.203 19.610 1.555 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 13.238 27.117 0.881 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 -2.937 1.833 -1.348 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 -2.533 -1.118 -18.911 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 -3.517 -14.471 7.926 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 1.553 1.384 -1.476 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 10.880 9.562 5.535 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 -6.994 12.730 -7.809 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 2.292 0.154 -0.454 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 -4.935 -11.657 17.021 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 -11.331 -0.539 10.523 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 0.926 -2.689 -2.795 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 -2.310 -3.846 0.350 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 0.137 -3.397 -0.830 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 5.019 -3.631 0.162 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -0.449 -4.679 6.482 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 -10.181 -2.530 -4.448 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 -4.304 -5.118 -2.175 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 -16.420 3.433 -35.126 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 14.958 -30.561 -13.531 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 0.244 -1.699 3.812 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 -18.346 -9.567 2.560 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 6.426 -11.030 4.718 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 1.764 1.452 3.754 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 -17.965 -15.986 24.794 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 6.971 2.414 -0.097 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 -1.215 5.819 0.476 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 -2.087 -0.402 14.072 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 -6.826 -9.943 12.343 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 0.118 0.551 2.256 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 -15.754 11.904 -0.901 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 13.452 10.663 12.352 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 -8.479 4.673 3.596 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 -22.287 1.844 -2.486 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 9.297 11.072 12.144 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 -16.838 1.108 -1.256 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 -8.056 1.157 -14.725 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 -33.076 4.241 5.023 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 -1.753 3.224 5.598 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 -6.340 -18.735 13.250 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 2.370 26.886 6.446 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 0.975 3.061 6.404 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 7.337 -13.100 -5.574 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 9.175 -12.356 -19.953 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 -1.535 1.899 2.560 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 14.853 1.659 -20.237 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 6.974 -19.187 -15.722 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 -6.389 -5.806 0.380 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 6.892 -7.831 -11.098 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 -9.569 -13.723 12.765 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 5.084 4.909 -4.834 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 -1.211 -8.063 0.575 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 3.965 13.142 -6.814 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 3.002 2.643 8.930 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 5.225 -0.403 10.595 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 0.493 2.951 11.914 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 -6.928 -1.220 2.461 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 13.788 -5.022 2.174 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 -34.565 7.430 15.380 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 -5.360 -1.225 -0.548 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 -8.822 -13.261 -4.236 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 -13.367 -12.823 -2.037 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 -6.691 2.907 1.344 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 -26.602 22.858 6.413 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 -8.701 29.635 13.339 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 0.307 -4.562 -0.902 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 19.462 -10.127 -7.834 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 14.853 10.738 5.257 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 9.290 2.721 -2.344 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 -0.820 -12.194 -2.475 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 14.803 0.385 -18.764 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 1.655 -4.140 -2.450 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 0.831 6.811 5.721 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 -0.642 1.169 -15.564 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 -3.502 -1.211 -0.795 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 3.777 22.644 -12.244 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 6.370 1.692 -7.893 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 -2.571 3.707 -6.168 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 -5.199 1.483 -2.837 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 -6.104 -8.265 -19.040 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 -3.164 -4.142 -6.095 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 -1.997 -4.000 26.636 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 0.427 0.892 3.536 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 -3.431 -4.009 -5.365 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 -15.988 7.116 -3.942 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 -2.759 -9.970 2.956 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 3.222 -2.418 0.083 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 -1.600 2.953 -1.418 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 9.083 -11.253 4.360 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 -5.403 6.364 5.773 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 -10.220 23.602 -2.359 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 -4.378 3.848 8.101 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 5.938 -1.790 5.550 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 0.430 27.760 -18.464 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 24.477 -20.512 -26.384 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 4.262 -3.817 -11.018 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 5.987 8.614 7.664 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 13.482 -22.593 -7.258 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 2.070 -0.558 -1.942 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 14.697 16.312 -12.089 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 9.818 9.965 -7.154 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 -2.228 -3.311 3.329 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 -13.499 4.331 18.643 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 8.172 3.519 -20.475 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 -4.904 4.019 -0.820 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 17.935 -1.144 1.747 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 -6.580 10.293 -0.930 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 -2.367 -6.358 1.153 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 0.131 15.986 2.461 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 16.131 2.739 5.085 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 -0.628 -2.108 4.119 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 0.769 -1.653 3.997 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 11.414 15.956 2.088 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 3.845 0.156 -12.387 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 2.408 -7.154 -2.548 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 9.901 -0.933 -8.911 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 -3.359 0.712 5.158 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 4.334 11.102 8.579 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 -18.951 22.745 1.684 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 -3.586 6.927 -5.747 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 -14.763 -3.672 10.102 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 -19.779 3.611 -23.816 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 -0.940 0.635 0.425 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 -1.946 5.388 -6.877 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 -16.517 -3.699 19.130 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 3.403 1.075 4.801 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 -0.456 -13.189 -0.193 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 0.776 -26.043 -32.026 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 2.510 2.736 -0.873 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 2.297 7.913 -3.520 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 -31.967 -23.723 14.693 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 -2.386 1.228 5.390 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 -25.828 11.800 -18.238 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 -11.740 -12.351 14.213 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 -1.317 5.350 2.898 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 -5.015 -8.943 21.682 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 -2.907 27.547 13.915 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 -2.945 2.698 0.176 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 -13.062 11.661 -6.624 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 6.278 32.390 6.792 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 -2.984 -6.936 -0.628 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 9.523 10.624 -9.989 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 15.245 -4.096 11.337 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 -4.044 6.473 -5.503 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 11.296 22.154 -1.047 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 -6.787 2.114 -6.479 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 0.819 -4.812 6.077 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 -2.404 -7.085 4.663 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 -4.491 -1.778 7.217 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 -7.911 5.406 1.834 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 -12.181 -4.219 -24.609 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 -9.686 0.270 -30.191 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 -1.341 1.943 -0.122 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 14.362 0.746 2.043 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 34.729 -0.084 22.194 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 3.970 0.896 -3.065 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 13.146 5.196 -3.660 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 -1.690 4.779 -0.811 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 -2.066 2.683 0.349 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 -2.190 4.935 -7.723 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 -2.642 5.476 8.942 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 -4.240 -1.595 0.029 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 -7.188 5.156 0.058 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 1.184 -1.527 5.438 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 5.694 2.923 -4.449 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 -7.493 10.464 7.458 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 21.689 -5.823 -5.492 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 -2.419 -3.189 3.834 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 -10.573 -15.650 -8.566 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 16.765 -9.969 1.987 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 -1.105 1.773 -2.733 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 6.553 3.962 3.317 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 -1.274 0.180 -1.425 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 0.206 7.597 -5.422 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 -6.316 26.746 6.941 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 15.989 15.281 -24.515 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 -0.430 8.380 -3.442 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 -4.564 -6.136 -9.887 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 8.050 4.610 11.172 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 0.903 -1.020 0.653 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 -3.263 15.151 4.614 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 -21.484 5.782 5.470 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 -0.874 5.641 -4.588 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 13.891 10.334 -23.595 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 -23.286 -37.233 -17.327 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 -0.586 7.546 -2.244 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 -4.972 10.309 -8.444 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 -0.713 -4.108 3.874 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 -0.505 3.082 2.453 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 -12.176 0.155 -13.197 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 7.036 8.774 18.420 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 5.862 1.110 -7.137 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 12.032 -12.557 4.627 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 -6.155 -11.781 18.920 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 -6.316 -6.100 2.035 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 -3.775 -6.087 -13.772 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 3.645 -5.205 4.232 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 1.810 0.800 -0.766 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 -3.669 -1.112 13.254 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 6.585 10.922 -2.245 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 -2.694 -3.226 11.112 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 -3.518 -12.040 9.079 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 -0.032 1.614 11.425 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 -0.521 3.267 6.618 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 -2.284 -0.970 2.548 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 -1.646 -5.691 8.978 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 -5.545 6.396 1.164 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 0.501 -2.961 -13.357 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 -3.994 -5.229 -2.958 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 -3.464 -0.003 -2.189 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 13.857 -8.492 -2.173 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 -13.549 -4.211 1.393 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 -2.661 -5.622 2.825 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 29.369 0.814 5.819 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 -1.634 -26.453 20.007 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 0.238 -0.545 1.799 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 3.661 -6.842 12.349 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 -1.173 16.935 1.210 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 5.137 0.006 -1.080 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 -0.923 3.684 2.094 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 9.061 12.216 4.778 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 0.931 -1.775 0.243 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 7.145 -0.988 -6.232 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 13.139 3.236 2.379 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 0.054 5.323 2.824 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 -2.091 -6.027 -1.503 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 0.242 -8.583 -1.823 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 2.192 -1.326 -0.238 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 6.553 -4.974 -3.923 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 3.376 1.578 1.213 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 -6.295 1.610 -2.908 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 3.810 -5.377 -5.568 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 -7.864 0.104 -3.480 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 1.735 0.608 -3.150 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 5.038 -26.526 4.511 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 21.024 16.258 12.417 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 3.493 -3.182 -0.178 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 -2.151 -3.727 -4.814 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 10.237 -5.123 -6.061 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 -4.893 3.441 2.775 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 -4.627 3.291 6.736 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 -2.924 3.334 -1.255 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 -1.996 -3.674 2.534 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 -0.919 -8.489 0.511 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 6.038 -7.293 12.406 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 -1.702 -1.845 7.325 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 -18.919 3.125 7.517 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 14.778 -5.197 8.046 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 -1.753 -6.722 4.416 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 -3.314 9.127 -6.525 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 -10.961 -9.277 5.105 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 -0.674 2.756 -2.225 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 -17.160 0.416 9.155 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 -2.263 -6.831 -19.091 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 -2.562 -1.915 4.466 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 14.773 1.913 4.548 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 -7.619 -6.839 21.510 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 -3.001 2.370 3.881 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 1.053 -19.371 3.415 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 -13.194 10.154 -1.465 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 1.761 2.000 -1.077 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 19.211 -3.151 16.394 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 -3.132 2.654 -9.617 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 -4.930 0.031 -5.311 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 -40.115 -11.210 6.899 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 -14.991 -1.071 -6.575 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 -0.386 -2.328 2.912 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 14.906 9.890 3.292 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 -9.252 -7.662 5.706 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 2.077 1.422 4.152 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 11.906 -4.383 1.348 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 9.257 -2.000 -1.004 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 0.658 -1.189 -0.448 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 3.269 9.913 -8.022 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 -4.944 1.703 8.994 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 -2.166 -0.938 -1.800 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 -5.237 1.644 -19.352 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 1.116 1.190 0.321 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 1.509 -10.973 -1.695 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 0.261 3.207 10.298 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 12.259 4.725 14.850 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 -2.129 3.177 -2.020 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 -8.041 -0.458 1.439 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 5.660 2.768 2.302 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 1.884 -2.316 -1.268 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 -3.847 -15.920 5.946 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 1.977 1.040 -2.605 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 -0.650 -2.005 -2.798 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 -0.589 15.728 1.149 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 -4.971 -6.675 -1.828 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 -5.587 0.785 1.745 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 5.124 -1.321 4.563 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 -2.156 7.270 -0.639 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 -2.240 0.224 0.585 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 -1.579 5.309 1.533 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 8.229 13.935 -10.073 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 -0.236 1.977 0.919 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 -11.923 14.461 -7.072 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 -3.644 7.021 5.447 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 -4.078 3.063 0.298 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 -4.818 -11.481 -1.554 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 -15.525 35.136 -4.811 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 -0.215 5.063 0.886 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 24.851 16.435 9.784 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 21.224 13.233 6.678 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 -5.003 3.526 -3.052 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 -8.252 -24.275 7.566 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 18.430 8.638 12.091 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 -1.461 -3.429 -3.520 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 11.340 -7.925 -18.587 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 7.808 -4.272 -13.220 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 -7.154 4.531 4.804 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 -35.009 -3.835 -6.881 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 10.027 14.260 10.345 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 -0.759 3.926 -0.553 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 -6.988 4.414 17.322 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 -11.700 -7.229 -3.294 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 -4.572 3.740 2.740 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 -11.379 4.821 -3.141 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 -8.440 9.090 2.202 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 2.141 2.857 0.005 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 -7.545 12.044 5.808 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 -7.382 8.166 3.741 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 -4.435 2.516 -0.872 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 -5.358 9.603 -20.013 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 -25.805 -11.351 -23.235 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 7.290 0.321 0.016 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 8.922 4.571 -9.195 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 -5.774 3.821 8.773 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 1.062 -3.315 -1.963 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 15.050 -5.401 -3.045 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 -3.943 -7.806 -4.845 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 -3.616 7.218 -1.445 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 14.724 -18.728 7.665 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 -14.255 0.129 -29.070 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 -8.180 5.389 1.549 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 7.412 -9.736 3.554 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 -0.661 17.037 -0.588 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -2.766 -0.246 1.574 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 -0.305 2.584 7.863 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -9.531 -0.207 -1.343 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 4.637 -2.202 5.352 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 4.812 -5.818 12.020 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 -0.189 4.327 -9.320 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 -2.216 -7.389 2.227 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 -2.362 -17.874 7.523 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 10.368 -38.780 20.009 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 0.793 -5.147 1.916 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 5.407 -1.968 -6.346 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 -2.088 -8.405 4.266 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 4.695 4.607 3.682 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 7.915 0.033 2.877 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 7.984 5.290 0.185 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 -1.485 -0.371 -5.984 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 11.468 -3.880 -10.530 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 -12.469 -2.013 -12.032 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 -5.838 0.250 5.076 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -15.393 13.434 -2.013 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 -20.905 -13.324 5.487 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 -0.907 -1.886 0.166 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 -6.549 -1.594 12.008 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 1.860 -30.191 9.462 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 -2.593 -1.141 -4.571 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 -21.065 -14.512 -1.494 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 -4.515 19.697 15.926 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 0.428 -2.739 0.848 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 -3.140 -1.424 -5.518 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 -1.693 -0.128 -17.639 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 -4.497 -2.511 -1.729 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 7.328 9.970 -14.919 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 -4.033 -2.119 0.546 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 -1.561 3.219 0.855 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 2.706 -8.139 -13.735 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 16.043 15.352 7.704 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 -5.065 2.189 -6.592 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 -18.806 -14.999 11.241 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 23.035 5.766 20.119 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 1.365 -7.007 -1.324 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 4.513 10.304 -5.354 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 -3.399 -14.405 -16.824 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 1.249 -2.575 -4.511 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 3.419 -8.809 1.454 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 0.103 -10.227 0.037 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 -3.882 -1.977 3.475 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 -7.844 -8.226 2.231 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 -0.179 5.215 10.643 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 1.758 -3.066 1.825 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 15.553 22.393 4.347 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 -10.322 0.266 4.728 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 -0.138 5.809 4.224 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 18.484 11.069 -6.624 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 3.066 10.142 -3.724 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 3.015 -4.744 -2.070 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 19.168 -6.996 -7.068 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 3.580 7.403 9.845 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 -5.557 8.909 0.169 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 -1.886 0.264 -3.887 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 -9.895 -22.145 -22.704 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 1.856 -3.487 1.020 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 9.476 -48.617 -15.559 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 -12.850 12.641 -26.326 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 3.323 1.840 -5.790 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 7.026 -2.494 -8.428 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 2.133 0.332 0.690 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 -0.524 -0.752 -2.971 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 -6.622 22.559 -2.405 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 -2.373 8.353 -0.422 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 -3.218 0.711 3.950 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 19.073 4.577 -9.380 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 -3.615 -0.880 -1.298 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 -0.964 -4.095 0.126 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 -12.083 -7.890 8.424 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 10.111 32.336 -8.045 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 3.045 1.832 1.766 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 1.490 -11.325 -14.207 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 2.239 -14.040 -16.715 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 -1.683 -3.092 -5.441 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 9.689 -1.996 6.295 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 8.276 2.305 -9.329 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 1.216 0.969 -2.921 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 -1.853 -1.190 -12.146 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 7.098 -13.943 -4.074 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 -4.115 5.389 -1.611 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 3.292 1.398 11.742 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 -0.738 -1.211 -8.388 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 4.895 -3.065 3.079 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 -1.423 17.838 14.871 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 6.615 4.327 -28.099 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 -5.355 7.870 2.181 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 -16.222 -1.533 2.714 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 9.534 -10.706 15.405 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 1.705 0.562 7.541 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 5.752 2.168 3.262 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 16.741 -1.424 2.265 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 -1.986 -1.083 -4.934 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 -20.084 10.566 -7.467 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 -26.296 -30.859 -13.234 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 2.692 5.496 1.815 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 11.096 6.029 -7.750 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 -1.184 7.251 8.636 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 -7.205 -0.021 2.670 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 -7.776 -1.280 -5.125 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 -9.080 2.690 6.782 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 -0.347 2.643 0.176 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 9.222 -12.862 3.751 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 3.795 7.602 -11.624 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 5.696 3.909 -8.974 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 11.158 3.843 -5.168 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 9.990 10.678 2.890 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 -1.760 -4.257 1.419 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 3.227 -18.867 -2.489 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 2.661 12.212 -24.328 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 4.892 1.396 -3.681 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 5.183 0.065 -2.135 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 2.853 4.232 -9.375 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 6.717 4.864 -1.938 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 9.246 19.864 -13.723 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 4.889 -8.009 12.768 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 0.797 -0.547 -2.812 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 0.487 -27.335 7.145 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 0.876 -13.159 1.648 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 6.753 1.534 -8.385 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 4.534 26.809 -9.397 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 -7.101 18.268 0.360 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 -4.307 0.366 6.684 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 19.684 -2.430 11.183 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 0.863 7.854 -12.989 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 0.322 -5.006 -2.237 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 -5.836 3.543 -9.720 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 1.880 -2.479 4.103 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 1.951 -0.578 1.391 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 15.825 -5.576 -4.135 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 -5.952 -10.351 21.061 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 -3.557 -4.893 -1.592 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 -3.136 -7.811 -3.009 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 -13.672 -28.024 5.445 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 -2.135 -5.231 0.334 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 -7.914 -27.175 2.046 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 -15.116 3.868 -3.059 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 1.656 5.124 -2.077 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 2.727 -2.011 -8.874 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 -19.919 8.607 -4.295 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 -0.876 -7.565 -1.946 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 1.875 -21.596 -4.873 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 -3.542 -12.322 -9.720 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 5.910 -4.307 4.593 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 -0.891 0.077 34.202 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 4.152 -21.969 -3.147 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 -1.675 0.323 4.398 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 -3.635 4.778 8.107 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 -2.323 6.136 -3.097 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 4.323 1.428 6.846 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 14.860 -12.394 -2.866 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 15.788 -26.269 1.278 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 -4.470 2.342 -0.042 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 -4.697 -10.445 1.917 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 -20.901 16.178 -7.639 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 2.607 0.797 -4.631 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 -30.986 29.879 -8.221 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 21.548 -8.584 8.138 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 0.033 10.223 -0.691 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 -16.764 28.600 4.302 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 5.459 -2.261 21.189 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 -1.616 2.793 -1.860 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 2.176 -2.790 -3.842 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 -9.518 3.147 -8.073 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 -0.864 2.251 -7.589 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 -16.529 1.570 -1.317 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 -27.296 -3.438 0.486 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 -1.752 -7.267 -7.312 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 -0.148 5.252 -18.663 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 -3.359 1.344 -18.506 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 -3.738 -3.575 0.510 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 -3.639 0.428 0.875 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 -17.489 4.073 -8.337 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 -5.234 -2.422 -3.780 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 -13.865 -16.360 14.875 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 -16.798 -1.484 -16.106 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 -2.051 -1.251 -2.555 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 -2.459 0.602 -5.285 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 -3.398 3.507 -9.407 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 0.005 -7.533 -4.935 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 -5.412 -18.950 -8.483 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 -4.634 4.102 14.986 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 -0.810 1.133 4.785 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 6.152 -4.820 8.099 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 18.320 -6.208 -6.378 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 -5.117 0.415 -0.229 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 -0.874 -1.574 0.319 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 -2.881 -0.532 -0.082 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 0.161 8.448 -1.754 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 2.103 10.840 23.127 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 -5.373 -5.166 -20.202 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 2.241 -8.222 0.088 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 -10.909 -10.351 4.088 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 -10.310 -15.070 -12.768 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 -10.580 5.297 6.416 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 -12.627 6.744 7.603 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 -18.875 9.781 8.327 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 -3.158 -0.454 -3.792 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 -12.721 -21.416 -3.734 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 -10.425 -7.034 -5.576 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 -1.996 7.300 2.380 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 -1.752 2.387 0.418 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 1.893 -3.737 -0.840 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 5.519 -0.810 -4.245 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 19.657 7.510 10.757 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 -0.893 -12.247 -7.753 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 1.793 -5.449 5.324 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 -5.824 -15.545 -6.790 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 7.200 -4.048 6.142 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 -1.021 2.581 7.262 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 -10.846 -3.386 5.374 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 -39.102 20.055 -0.105 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 5.481 -1.930 -2.248 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 -5.229 -27.335 -6.653 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 22.366 16.731 -13.971 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 -8.612 0.182 -3.247 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 -7.287 -5.269 0.879 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 12.043 -20.365 -5.244 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 -8.725 2.027 5.496 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 1.601 -1.844 8.910 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 -25.488 8.679 -20.802 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 -7.073 0.659 2.312 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 -3.231 -16.340 8.703 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 9.153 5.899 10.372 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 1.968 1.213 -1.807 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 11.926 -9.692 13.099 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 -10.909 13.164 -12.812 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 -1.339 0.559 0.555 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 -14.018 -14.422 -0.620 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 -14.823 -12.825 -4.849 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 -0.428 5.265 -1.581 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 8.947 -1.031 4.814 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 -5.477 0.355 4.007 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 -3.314 -3.027 -2.714 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 -0.040 5.042 2.214 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 -9.806 -15.400 -20.711 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 -0.653 0.927 2.454 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 1.885 -18.557 -39.826 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 -12.366 6.997 15.694 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 -1.140 -1.604 -1.148 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 -10.600 -2.397 -17.035 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 10.307 -10.990 -7.127 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 2.542 1.183 -3.811 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 25.958 2.168 -6.488 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 2.603 3.934 15.099 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 -0.368 -1.781 -0.688 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 -34.670 -4.916 -16.174 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 -19.669 4.800 -22.364 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 -0.581 1.130 -3.577 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 -2.453 3.325 -5.073 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 -5.742 -3.890 1.131 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 1.743 -0.278 0.272 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 1.453 11.515 33.186 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 -5.248 3.116 1.414 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 0.920 1.842 3.802 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 12.409 -13.203 18.166 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 -8.295 2.015 4.609 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 -1.248 4.188 1.005 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 3.357 -2.916 -3.010 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 1.172 6.923 -8.145 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 -4.583 -2.170 -3.190 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 -10.770 -4.502 0.321 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 8.785 -12.000 -3.425 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 -0.629 -1.586 3.073 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 12.750 2.752 -12.143 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 -5.808 3.681 9.929 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 5.117 0.467 -5.125 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 -1.896 -3.239 -3.892 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 1.627 -0.337 -8.648 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 3.218 -0.224 -7.866 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 0.286 -7.721 -13.390 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 -0.359 6.444 -10.658 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 -2.072 -0.782 5.702 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 -8.939 -8.440 -5.004 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 0.237 -13.784 -1.729 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 -3.028 0.812 3.362 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -32.349 10.178 -4.980 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 26.653 3.601 3.420 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 1.610 6.059 0.924 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 -13.422 1.722 -14.326 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 -1.638 14.821 -3.930 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 -3.333 3.860 -11.188 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 -4.166 -1.945 -14.680 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 -5.155 3.795 6.671 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 5.783 1.605 1.175 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 -9.273 9.857 -5.370 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 24.002 5.873 6.013 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 3.207 -1.582 -5.279 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 -4.548 -7.932 -7.257 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 -9.813 -2.440 9.732 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 0.894 -5.353 -2.064 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 28.723 4.185 22.691 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 -13.928 -0.041 -6.258 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 -2.633 5.660 1.020 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 8.928 -2.026 8.982 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 0.652 21.000 7.206 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 3.231 6.081 -4.692 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 -1.850 7.317 3.861 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 21.850 2.216 -17.338 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 -2.580 9.052 1.136 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 1.987 -19.784 -8.865 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 -3.351 -1.192 -17.942 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 -0.189 1.148 -0.641 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 -1.157 -10.709 6.767 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 15.835 -12.122 42.159 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 -6.911 -3.369 2.700 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 -4.029 -12.508 4.092 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 -4.811 -5.350 -0.523 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 -3.451 -2.116 -2.972 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 2.425 1.728 1.014 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 -2.242 -1.552 -11.197 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 -3.389 -1.803 6.995 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 -0.337 5.550 1.551 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 -8.875 -18.562 16.001 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 -1.017 -2.497 0.879 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 5.231 -11.328 1.545 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 6.807 6.138 -6.535 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 0.316 -3.476 0.664 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 -12.539 20.430 14.030 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 8.956 -14.550 -7.218 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 -8.682 -3.379 -0.840 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 -3.699 -1.175 -8.738 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 24.095 18.045 -43.245 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 -4.916 -7.043 4.310 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 -1.153 -1.738 2.747 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 -0.946 -8.994 7.874 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 4.707 5.748 0.754 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 15.617 4.214 -14.053 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 24.254 15.594 -7.047 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 -3.412 3.240 -2.822 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 -5.387 -3.449 -5.474 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 -4.739 2.310 -2.256 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 3.974 -1.724 -4.670 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 3.814 -7.082 -0.742 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 -1.529 -4.227 2.435 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 -4.799 -1.287 -0.728 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 7.230 -7.445 3.236 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 -9.304 12.217 4.758 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 -4.065 1.038 10.348 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 -13.291 -10.383 -7.449 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 15.310 5.169 -10.281 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 -3.011 -4.150 1.326 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 -5.744 -0.759 -29.779 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 -5.039 -2.643 -17.610 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 1.125 0.480 6.286 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 2.923 0.831 5.704 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 1.234 -0.615 7.013 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 5.325 -4.320 -0.810 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 3.998 -5.403 -5.720 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 8.632 -0.344 -6.001 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 0.986 -1.593 0.684 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 -6.767 0.741 3.583 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 7.222 -11.507 1.807 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 -4.621 -0.407 5.912 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 -5.268 -12.671 -10.986 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 2.831 24.620 6.999 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 1.483 -1.687 1.944 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 2.638 -2.917 -0.649 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 -2.747 -7.683 0.998 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 -1.970 -6.551 5.423 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 -7.184 -7.926 8.502 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 5.755 -11.860 6.512 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 -3.089 -0.120 -3.116 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 -3.045 0.128 -3.467 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 -10.834 23.887 16.618 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 -1.575 -1.334 0.500 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 4.181 3.444 4.408 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 -3.962 -3.237 1.869 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 2.854 -3.722 -4.978 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 2.076 -0.115 -6.313 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 1.211 -5.407 -6.291 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 -0.070 1.586 -2.887 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 6.504 7.692 -7.714 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 -0.261 1.414 -1.705 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 3.166 2.415 -0.342 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 3.151 0.693 10.656 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 2.075 3.501 -13.640 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 -0.224 4.671 -3.514 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 -13.096 -6.633 7.283 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 2.627 35.551 21.755 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 1.835 -5.449 -5.960 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 20.310 -22.937 -2.436 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 -2.470 -0.614 -4.605 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 5.358 1.733 -8.105 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 4.968 16.861 -20.628 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 6.401 1.090 -15.860 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 0.413 -13.323 0.440 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 -1.407 -14.415 6.252 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 4.083 -3.188 -11.647 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 -2.602 1.315 -7.633 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 18.547 8.533 18.243 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 -22.456 -15.242 -6.763 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 7.436 5.777 -1.788 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 39.639 -0.058 -8.943 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 2.124 -4.719 8.117 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 -1.749 -1.080 -1.711 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 -8.565 -11.993 -2.432 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 -6.283 -7.223 -2.605 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 1.305 -0.508 -12.204 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 -0.040 5.768 -3.803 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 0.486 3.482 -15.958 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 -0.183 0.196 6.501 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 9.051 10.492 10.499 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 -9.105 4.672 -13.344 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 -4.942 -4.448 -1.588 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 -18.409 -6.239 -17.960 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 -0.371 -3.872 3.749 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 0.229 -4.545 -1.671 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 5.547 -21.701 3.763 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 11.282 0.129 12.110 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 -4.995 4.393 -3.355 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 -4.064 -10.032 8.435 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 6.974 0.135 -12.407 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 -0.675 -2.712 -2.948 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 9.498 21.353 -3.204 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 -3.710 -10.100 11.459 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 -8.371 0.203 -3.354 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 -3.990 -12.267 -7.523 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 -13.421 -0.014 -3.757 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 -10.263 0.629 -0.509 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 -14.891 -5.575 -0.938 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 -1.582 2.205 -0.300 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 -0.991 -3.780 -2.372 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -7.702 1.410 9.954 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 -4.616 -28.113 -9.461 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 -1.644 0.292 1.918 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 -8.992 -1.910 11.700 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 -4.840 11.716 -1.230 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -2.220 -1.536 -0.039 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -1.771 2.970 -14.363 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 6.450 1.734 9.901 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 -1.860 1.019 -2.320 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 -5.141 4.485 4.541 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 -21.905 5.958 5.190 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 -0.244 -0.346 -2.109 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 7.903 -3.217 -5.694 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 -15.917 4.569 5.077 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 3.424 -2.316 8.398 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 1.342 4.974 -3.183 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 -2.727 6.155 20.178 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 -2.674 2.074 -0.365 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 0.088 -0.221 0.075 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 0.763 -2.835 4.078 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 -0.824 3.090 2.719 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 5.251 -11.332 13.703 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 -20.173 4.099 5.761 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 0.266 -3.873 1.104 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 6.269 1.527 -0.252 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 -6.692 1.459 6.423 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 -5.454 -5.615 3.939 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 -2.601 2.296 7.500 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 0.176 0.943 10.893 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 1.010 -0.336 -4.064 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 6.974 -17.657 9.526 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 -12.975 10.730 20.895 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 -3.134 -0.468 -4.857 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 13.188 -0.489 -1.683 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 -5.926 16.028 3.159 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 -2.441 7.690 0.124 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 27.944 -0.489 -18.668 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 4.404 -6.507 2.779 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 4.065 2.393 -2.353 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 2.579 -0.565 4.841 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 -8.994 23.892 -10.315 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 -0.262 -2.033 3.016 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 8.035 -1.758 23.348 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 3.619 -9.206 -3.978 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 -2.075 -2.183 0.896 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 -6.965 4.072 3.088 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 -4.921 -2.804 19.846 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 2.323 -4.000 6.192 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 -1.998 7.429 -6.164 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 13.061 5.493 -0.410 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 5.046 1.026 -2.153 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 0.125 -13.612 1.160 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 -10.782 1.913 -16.781 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 -4.926 10.827 -4.782 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 -21.657 17.811 -6.308 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 -9.433 17.614 1.185 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 -1.638 3.948 3.819 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 -3.477 -5.596 -15.038 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 18.128 8.545 6.948 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 -3.556 0.308 0.069 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 -1.108 -7.657 6.797 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 -17.573 -7.750 -3.127 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 -0.896 1.255 -0.819 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 -8.052 -9.767 18.693 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 2.559 5.908 -7.125 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 -0.919 -0.051 5.669 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 2.380 2.583 3.474 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -4.994 -3.435 11.307 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 2.410 1.660 -0.900 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 5.217 -0.695 3.182 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 -4.673 4.596 -10.900 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 -7.379 -0.190 0.715 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 10.660 -19.975 8.314 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 -5.957 -15.114 18.596 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 7.088 1.140 1.413 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 7.752 5.458 3.190 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 4.284 -6.379 -3.283 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 -1.440 9.845 -5.490 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 15.068 -0.797 -13.198 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 7.264 10.840 13.051 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 -2.568 1.932 1.228 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 -1.589 3.583 5.025 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 -9.360 1.268 0.383 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 -1.284 -1.933 -2.930 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 -5.228 -1.828 1.524 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 -1.591 -1.977 -4.301 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 -1.722 -3.987 -5.469 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 -14.759 -4.905 18.985 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 -7.261 -27.070 -28.993 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 -2.981 -4.277 1.419 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 -1.167 16.434 -13.684 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 1.461 -5.615 2.744 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 -2.265 6.914 5.981 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 -13.295 11.733 10.878 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 -14.088 9.031 9.320 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 -5.826 5.466 -5.179 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 1.643 -5.024 -3.559 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 -5.081 11.739 6.467 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 -2.145 -1.069 -2.136 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -11.123 -11.268 2.537 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 -1.624 1.690 4.862 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 5.348 2.245 -1.673 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 7.565 -1.409 15.889 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 23.460 -4.091 -12.398 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 -5.772 2.525 11.084 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 8.251 -15.299 -13.166 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 3.030 -3.320 5.747 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 -5.045 1.771 2.769 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 -10.130 4.565 11.631 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 -0.463 -2.980 10.054 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 2.710 4.716 0.866 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 5.726 10.645 5.770 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 -0.037 -3.902 -2.856 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 3.263 1.257 -1.752 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 10.103 -11.029 2.768 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 -8.683 -1.411 8.044 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 1.731 4.567 -0.632 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 -3.152 13.448 -8.032 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 4.118 -2.721 2.259 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 0.655 -1.700 0.375 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 11.145 5.264 0.947 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 12.702 -15.435 -1.856 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 1.017 -6.005 0.465 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 8.598 10.519 9.617 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 4.281 -7.862 -12.725 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 -3.921 1.509 -4.499 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 5.996 5.489 14.514 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 -10.298 -20.171 -19.156 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 -0.153 -1.330 -6.452 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 9.462 -2.907 -9.864 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -1.535 6.621 -9.725 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 -1.060 4.397 -1.572 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 -8.296 9.292 -9.703 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 2.555 -1.821 7.584 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 -1.271 1.584 -0.584 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 7.356 13.888 -0.315 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 -29.568 -11.352 -18.013 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 4.682 -2.308 0.728 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 6.550 -3.685 -9.553 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 -3.581 -1.796 8.986 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 1.834 6.014 0.405 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 15.461 8.894 -15.334 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 -16.890 -9.620 15.987 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 -1.629 5.192 -0.245 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 15.101 3.408 0.321 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 8.523 -10.545 14.760 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 0.902 -5.404 6.597 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 -0.495 -0.028 9.868 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 -17.175 -9.436 12.408 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 -1.156 -7.330 2.846 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 -5.998 -19.764 17.390 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 15.453 12.208 -1.488 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 2.582 0.652 -2.562 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 11.658 10.293 -8.130 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 7.883 11.635 9.820 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 -0.390 -4.887 6.816 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 6.689 -0.557 -5.629 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 -14.533 -5.640 -2.409 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 0.303 4.663 -1.209 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 -5.705 -5.330 0.691 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 23.819 27.978 -4.569 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 1.802 4.528 0.947 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 -26.656 -14.628 12.304 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 7.243 0.088 11.437 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 2.945 -2.197 -0.011 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 5.369 -1.017 2.017 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 2.818 1.991 -23.787 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 7.639 0.560 -1.219 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 4.347 2.553 18.557 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 31.696 3.699 0.339 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 -2.871 -2.562 4.395 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 7.925 -13.975 8.623 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 3.428 -14.603 -0.476 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 2.376 -3.083 -5.482 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 -2.840 -5.999 2.324 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 -0.172 -4.521 -1.888 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 0.135 1.098 2.208 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 1.323 -2.502 -9.037 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 7.228 -5.403 8.141 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 -3.750 -2.191 -4.622 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 -0.633 4.954 2.381 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 5.000 1.357 -5.473 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 -1.101 0.994 3.788 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 -7.689 20.026 1.928 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 -16.446 0.582 -7.410 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 2.837 0.314 1.010 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 -4.460 -2.929 -0.395 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 3.812 -1.258 -0.350 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 -5.661 1.195 2.769 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 -2.184 1.245 7.066 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -10.049 -8.017 -1.692 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 2.821 1.285 -1.358 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 -7.061 4.902 -2.517 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -3.478 3.540 -1.710 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 6.722 7.474 -1.992 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 -1.281 15.201 4.751 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 0.375 8.720 13.516 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 -1.586 -1.495 2.188 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 6.309 -20.277 4.298 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 -20.525 9.022 0.356 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 -2.579 3.352 4.743 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 2.773 4.581 7.695 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 -21.225 -5.040 -15.969 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 -5.033 1.167 -0.635 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 -12.207 0.344 7.041 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 -5.610 9.517 9.851 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 -5.522 1.686 5.171 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 -3.032 26.939 7.109 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 6.485 -3.748 -16.677 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 5.400 0.505 2.214 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 5.757 -16.548 -1.628 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 -0.190 1.070 19.414 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 -7.320 -7.197 3.118 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 7.957 4.884 6.006 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 3.464 -1.306 6.074 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 -1.752 1.069 2.247 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 -10.671 8.848 -5.001 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 -16.306 -5.402 -17.076 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 2.638 5.395 -0.257 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 -5.566 -8.115 -2.098 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 -11.244 -5.321 8.184 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 2.335 -11.261 -1.105 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 -9.339 -9.418 -11.020 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 9.030 -0.231 -4.433 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 -3.929 0.495 -3.839 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 -7.301 -7.348 11.054 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 -13.269 14.022 -8.378 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 -2.003 -3.303 -0.711 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 1.466 -16.851 -4.233 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 -9.654 -3.021 0.060 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 3.444 -3.415 -1.040 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 -14.157 12.369 -1.533 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 -16.118 4.614 -8.042 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 -1.371 -2.326 -5.925 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 0.648 3.522 -5.168 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 -5.944 -0.296 -8.439 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 -4.426 0.711 -7.886 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 1.740 -1.526 34.533 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 8.124 -9.980 1.755 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 2.109 2.058 -2.146 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 1.548 1.529 -2.365 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 6.916 8.677 20.189 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 2.905 9.206 2.373 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 13.739 24.771 -6.972 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 -17.667 -3.761 12.879 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 -4.030 -3.143 -2.448 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 1.679 3.970 -5.451 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 -10.389 -13.357 -6.192 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 0.044 1.717 5.431 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 2.286 14.033 11.217 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 -28.833 17.379 -16.306 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 -3.109 1.000 -2.204 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 -14.826 13.113 7.242 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 -7.656 -7.122 -14.079 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 0.759 4.840 -4.939 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 5.603 9.725 -16.012 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 -1.658 4.776 -16.807 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 0.210 2.870 -4.183 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 -27.206 -13.889 -8.393 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 1.776 4.587 14.241 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 5.925 -3.922 -0.446 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 -16.867 -26.777 -20.395 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 1.595 -1.700 -25.144 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 -2.592 1.294 1.669 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 12.102 -2.629 12.018 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 -1.339 7.586 4.005 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 -1.497 2.473 2.031 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 -11.737 -1.658 -9.629 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 1.934 -4.190 -1.225 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 3.252 -6.098 8.275 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 10.278 -2.418 9.862 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 -9.048 -3.201 -6.542 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 -3.990 2.191 -1.400 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 -20.204 -2.807 -2.333 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 -4.904 -3.344 1.026 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 2.161 -0.487 1.965 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 -11.538 -5.131 8.249 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 3.519 -2.908 7.714 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 -1.948 -1.948 0.488 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 5.283 18.365 23.272 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 -1.773 -28.053 4.368 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 1.390 1.847 -5.944 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 7.336 4.461 -10.252 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 17.001 2.381 -28.429 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 -0.158 3.276 -2.960 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 8.805 1.480 -9.912 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 -15.710 -8.884 3.833 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 1.858 -0.360 2.509 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 -1.201 -12.691 16.354 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 -7.676 -11.514 13.623 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 2.756 -3.063 2.876 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 -2.322 21.405 2.711 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 0.243 12.233 -13.118 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 9.977 -3.922 0.950 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 -1.593 2.033 -19.756 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 2.943 5.550 21.411 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 -5.103 1.508 -1.627 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 -10.310 -1.172 10.540 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 0.294 -0.405 -7.690 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 -1.846 4.772 -0.611 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 -3.901 12.082 -0.793 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 -3.580 2.087 -8.815 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 3.328 5.534 -1.249 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 -9.294 14.415 9.702 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 4.085 -25.957 -4.903 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 -1.710 5.346 -1.840 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 -18.337 26.717 -2.632 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 4.432 -8.518 21.768 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 9.843 -2.475 -5.165 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 35.235 -1.779 8.361 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -7.879 -14.934 1.583 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 5.231 -8.550 -1.089 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 10.875 -27.411 -9.068 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 -4.627 15.915 6.986 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 -1.454 1.588 -2.607 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 -6.553 13.015 21.129 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 -4.933 2.458 -3.518 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 -4.362 -3.763 4.046 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 5.623 24.824 -8.989 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 -27.752 -3.284 10.618 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 -6.031 -5.325 7.193 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 -6.928 4.641 30.271 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 -2.829 -2.853 9.591 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 -1.583 3.269 1.030 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 -2.749 -13.349 -15.500 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 12.120 20.140 -7.984 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 2.421 3.389 0.816 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 2.461 -14.416 -12.297 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 0.914 -20.070 -8.665 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 5.969 7.219 -1.081 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 8.023 9.828 2.635 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 -2.183 -2.883 -13.953 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 -0.114 1.389 10.062 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 -7.592 -8.319 -11.147 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 6.475 11.582 16.185 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 1.136 0.200 0.742 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 24.284 13.697 -2.001 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 3.308 -4.836 -9.423 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 10.874 3.964 -7.376 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 10.785 -6.266 -8.040 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 -1.913 8.076 -8.096 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 -1.191 -8.052 -6.596 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 -9.456 1.202 -11.892 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 12.453 -24.082 -15.954 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 4.657 2.537 0.471 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 -16.955 -1.284 -8.622 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 17.933 8.611 6.660 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 3.627 -6.720 -3.682 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 -15.020 -35.003 19.944 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 13.618 -5.861 -1.335 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 -2.675 3.937 -5.470 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 9.939 19.103 -0.702 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 5.711 14.950 -1.235 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 8.150 0.287 0.181 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 -12.481 2.564 27.950 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 0.359 26.865 -19.556 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 2.074 -3.632 -7.531 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 6.390 -6.899 3.724 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 -8.500 2.510 -24.647 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 7.332 5.598 4.526 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 10.518 -2.713 -8.043 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 18.239 -11.549 -13.388 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 0.130 -1.623 -4.829 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 1.649 0.139 -2.187 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 -2.614 -5.761 -2.374 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 4.417 -0.280 -0.500 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 -8.279 1.587 6.726 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 9.297 12.864 -1.165 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 9.480 -4.637 3.537 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 9.797 20.633 27.799 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 4.620 -9.877 -7.063 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 -1.127 -1.492 11.521 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 1.521 -1.299 10.991 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 -4.896 -3.256 8.477 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 2.334 0.403 -10.205 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 -9.634 17.914 28.480 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 26.052 -8.819 -13.131 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 -5.534 3.032 -3.053 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 -2.669 -3.087 3.747 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 -11.820 10.576 2.128 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 -6.529 0.125 3.324 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 25.964 -11.494 1.837 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 -0.868 -15.721 9.162 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 2.958 0.604 -0.429 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 -11.756 -7.226 -10.391 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 10.684 11.551 -12.507 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 3.051 4.812 2.419 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 -6.411 17.591 4.882 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 4.774 2.947 2.571 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 -0.960 -2.068 -0.293 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 -30.913 -5.289 7.542 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 5.383 15.298 -4.199 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 1.035 3.868 -5.744 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 5.973 24.734 7.466 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 25.062 -1.661 -20.634 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 -1.661 -3.145 -1.158 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 -19.721 -7.141 -11.960 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 20.158 -12.640 -15.358 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 3.357 8.879 6.596 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 15.590 3.155 -17.253 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 30.983 -19.819 -4.182 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 -4.060 -4.582 -3.492 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 -6.419 -6.028 -4.599 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 -21.520 -11.581 -18.631 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 4.122 1.409 2.115 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 -15.056 -21.354 5.497 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 2.100 16.007 3.565 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 3.367 -6.939 -2.539 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 18.493 -9.509 -0.308 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 -24.225 3.331 -2.472 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 -7.271 -0.048 -0.550 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 -5.344 -16.281 -18.971 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 -1.975 -12.280 28.516 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 2.651 -0.891 -2.532 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 -4.531 3.271 -8.729 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 -0.794 1.000 7.676 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 -0.365 -2.080 6.788 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 -9.396 -5.681 7.490 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 -1.219 9.543 -0.573 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 0.192 -9.162 -5.465 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 0.568 -9.997 -3.012 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 -2.192 3.521 2.715 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 5.873 -1.043 -7.254 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 -20.733 -0.719 -24.834 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 11.921 -6.518 -13.885 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 -3.187 -2.196 2.907 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 18.133 7.285 31.413 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 23.637 9.154 -20.260 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 0.151 -1.957 5.025 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 -3.295 -2.100 8.080 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 -3.602 8.452 8.982 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 1.509 2.230 -9.935 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 10.571 -5.472 9.505 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 -18.694 -0.205 -7.751 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 -4.385 -1.381 2.484 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 3.987 -21.223 1.394 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 -12.371 15.818 4.977 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 -5.761 -1.558 3.990 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 -6.671 3.073 7.212 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 5.993 -1.004 -0.120 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 0.725 3.632 5.492 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 22.847 -5.320 31.686 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 -18.687 14.662 -2.316 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 1.356 1.507 -3.287 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 20.756 -3.495 -1.133 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 1.229 2.806 -10.985 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 -0.399 8.069 2.363 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 13.422 0.274 2.956 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 -27.167 12.868 8.147 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 -2.645 0.932 -0.531 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 -18.004 -6.554 -12.253 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 -0.941 -1.002 -3.077 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 2.356 -1.479 2.521 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 3.047 -2.125 2.252 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 17.288 -12.802 -5.605 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 -1.071 -4.910 -1.053 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 -20.090 8.543 -9.024 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 -4.227 -5.117 -1.348 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 1.636 -9.741 2.107 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 13.742 -14.885 -9.803 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 -6.420 -32.660 18.669 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 -3.480 5.833 0.704 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 2.505 1.411 8.397 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 -0.386 -0.994 -8.954 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 -0.952 -5.890 3.610 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 37.245 6.602 -1.335 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 1.858 -4.728 9.106 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 -9.612 5.418 -0.990 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 17.924 -8.673 6.954 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 8.074 -4.963 4.604 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 -3.191 1.498 0.234 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 -2.206 -28.582 6.839 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 -9.939 -12.046 1.766 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 2.963 -1.646 -0.534 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 15.740 -27.263 0.748 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 14.233 -21.948 -15.137 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 1.576 -1.054 -9.203 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 -12.723 20.349 -9.273 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 -3.911 -21.570 -3.880 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 1.127 5.460 -3.036 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 -1.914 1.537 -18.247 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 5.999 7.355 4.002 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 0.127 0.672 -2.801 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 -0.348 0.571 -1.222 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 4.605 -20.149 12.654 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 1.014 2.767 -1.944 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 2.379 11.121 10.380 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 -3.430 -30.346 -20.242 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 -3.463 4.737 -0.206 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 -20.026 13.361 10.304 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 -23.541 8.715 1.105 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 -1.819 -5.236 -6.853 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 13.624 -17.442 -8.636 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 -10.554 3.684 -3.311 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 1.409 -0.976 3.320 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 1.996 3.044 0.245 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 -2.493 -12.014 7.890 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 -2.148 -2.927 -2.137 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 -1.935 -9.780 -7.732 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 -6.006 14.128 -14.879 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 7.581 -1.888 -4.047 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 21.127 4.104 -31.578 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 2.552 -3.556 8.727 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 -5.297 -2.094 2.065 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 -0.831 6.082 -8.823 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 -1.736 -8.569 4.255 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 4.321 -0.047 -1.793 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 0.067 -24.542 -10.658 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 -20.106 8.571 5.193 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 -3.464 0.791 -0.287 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 4.285 -9.057 13.562 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 18.387 12.531 -19.656 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 1.144 5.034 2.621 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 -0.881 14.416 8.902 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 6.441 0.297 4.498 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 -3.877 5.587 5.814 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 -9.314 10.279 -4.200 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 -6.266 10.863 2.288 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 -4.440 4.715 -0.929 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 -9.801 2.749 -8.912 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 -0.896 18.637 -5.430 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 -3.759 -0.611 2.587 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 18.308 3.378 0.627 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 -10.037 -3.214 -4.449 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 -1.813 -0.523 0.191 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 -13.876 1.730 -4.023 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 -15.204 5.976 -6.033 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 -1.596 -1.044 -0.649 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 -25.338 -6.208 -27.605 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 -7.827 -2.316 -7.813 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 1.277 -2.190 0.585 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 -0.347 18.618 -6.438 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 -3.462 -14.358 -4.280 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 -2.645 -5.295 -2.649 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 11.183 -11.607 -30.114 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 -9.970 -1.559 11.559 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 -1.520 0.244 -2.769 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 -22.965 26.697 16.162 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 -2.006 -1.261 -13.440 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 4.434 4.466 3.146 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -14.243 22.372 0.818 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 -1.096 10.356 2.930 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 2.374 -0.263 4.230 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 1.704 3.120 -2.855 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 5.021 -13.028 -1.463 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 -3.673 -7.737 -0.168 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 -23.868 10.886 21.989 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 -24.086 9.169 -32.879 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 6.592 -7.663 -14.808 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 -1.989 -7.317 0.047 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 17.967 12.287 -10.483 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 3.916 0.749 -2.851 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 -10.148 0.650 -11.011 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 5.069 -9.014 10.943 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 -8.312 7.336 5.991 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 27.390 -17.390 -12.190 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 3.528 38.874 16.916 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 5.026 4.021 5.723 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 8.080 19.858 -0.937 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 -6.046 -7.395 4.164 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 6.007 1.576 -1.002 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 2.299 -3.701 22.132 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 4.552 -0.538 -3.234 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 -5.036 -3.574 -8.650 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 17.966 6.685 -1.382 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 8.119 4.931 2.053 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 2.022 -7.950 -5.482 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 -1.070 5.717 9.286 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 -0.902 1.148 6.113 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 9.270 2.548 5.947 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 0.095 19.102 3.377 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 2.787 3.552 -22.794 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 4.999 -1.254 1.530 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 18.846 -11.230 -1.797 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 -11.805 3.483 -17.527 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 3.999 2.267 -3.934 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 12.909 12.643 11.779 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 -11.428 -7.493 -16.906 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 12.433 -0.679 -2.257 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 17.407 -3.990 -9.705 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 -20.986 17.101 -5.135 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 -1.041 0.521 0.647 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 3.780 -15.142 -7.360 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 0.540 -1.646 0.012 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 -0.070 -2.877 -6.364 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 -6.058 -10.137 -5.152 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 11.416 16.894 -10.585 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 -1.904 0.374 2.175 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -13.241 -5.156 22.915 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 4.338 -3.633 -7.517 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 5.338 0.831 8.126 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 11.561 -7.827 19.942 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 1.697 -12.495 9.051 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 1.486 -1.771 6.511 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 4.954 1.894 -5.106 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 -9.392 -6.534 -0.258 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 -6.150 1.193 -1.950 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 -17.602 -15.347 -25.638 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 9.688 -5.446 -18.294 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 2.345 0.494 -4.152 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 11.671 9.877 -2.403 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 14.355 10.025 -2.305 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 -1.326 6.420 7.974 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 -8.635 -18.923 -9.152 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 -22.242 13.685 15.274 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 0.970 -0.039 0.657 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 -10.024 -5.318 -7.368 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 0.738 15.351 3.573 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 -5.333 -2.465 8.630 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 -12.704 -8.239 8.177 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 -1.455 -3.410 2.214 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 -2.672 6.236 1.496 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 1.658 -1.957 -7.706 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 -0.691 9.753 5.487 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 -2.448 -2.206 2.445 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 1.787 -2.343 -6.469 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 5.211 -1.699 -10.720 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 -2.558 -5.057 -0.249 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 -5.642 -18.675 -3.719 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 2.114 -9.197 9.565 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 -0.393 -3.821 -2.629 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 -1.389 7.765 6.891 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 -2.426 7.116 1.886 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 3.618 -5.128 2.951 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 -22.629 14.793 -2.880 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 12.148 6.758 24.627 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 -3.494 1.032 2.096 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 -8.457 -12.736 3.997 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 17.660 -8.593 -8.289 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 4.019 -3.594 0.688 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 -23.171 -2.221 -17.204 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 -11.494 3.202 3.209 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 5.430 0.482 2.136 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 13.194 -13.516 12.062 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 17.520 4.450 0.269 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 -5.569 -5.052 0.102 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 -2.522 2.059 10.542 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 0.237 -1.771 11.421 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 -2.942 3.202 -7.090 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 -2.517 4.957 -6.634 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 7.710 3.693 -5.026 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 -3.545 -0.259 -2.483 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 20.555 -4.982 -6.167 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 0.736 18.040 -0.258 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 6.669 -4.227 -6.859 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 9.892 -4.942 -14.057 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 -7.105 6.652 -22.464 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 -11.883 0.504 2.183 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 -19.393 3.135 -9.360 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 -12.635 -5.840 10.794 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 1.278 -0.025 -1.291 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 1.782 5.373 -4.950 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 9.617 23.733 -8.580 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 -2.747 5.910 -4.149 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 -14.169 -1.498 -5.401 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 14.294 -13.163 0.877 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 -2.707 -4.855 -4.070 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 -12.971 -4.826 1.292 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 -0.119 -13.931 -11.403 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 3.928 -1.336 -2.501 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 7.635 -11.150 -4.509 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 -3.184 -3.745 -13.700 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 1.737 -2.529 1.725 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 2.344 0.474 -23.950 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 -14.165 4.049 15.985 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 4.955 1.748 -1.647 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 21.602 0.296 -10.586 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 -3.894 20.855 -10.035 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 -7.123 2.088 2.518 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 -17.785 11.290 0.052 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 -10.378 1.902 4.629 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 0.069 2.270 -2.436 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 -9.847 2.693 25.968 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 18.893 -8.346 12.345 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 -2.791 10.680 0.822 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 -1.057 8.944 2.358 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 6.181 -2.572 10.038 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 -0.104 -1.261 -0.821 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 -0.123 0.919 0.585 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 0.035 2.933 1.506 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 -6.108 7.219 -0.823 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 -19.636 -7.755 -5.917 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 17.564 -9.900 11.076 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 -1.751 -9.028 -2.287 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 0.220 -11.237 -15.889 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 -7.754 -8.277 -4.126 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 -3.386 -0.746 -4.240 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 0.422 -1.572 23.064 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 -10.584 -2.160 31.130 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 -5.589 1.718 -0.023 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 -28.950 -8.696 14.501 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 9.082 17.119 -2.379 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 -3.025 -2.377 -2.303 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 0.306 -13.848 -22.252 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 17.757 7.300 1.837 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 2.331 -3.846 3.706 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 -8.589 5.896 11.446 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 2.838 -7.818 -3.326 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 4.215 -7.005 1.509 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 -6.936 -11.399 -23.827 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 -28.076 -2.762 14.963 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 -0.477 0.794 -2.526 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 -22.175 -21.424 -7.122 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 -0.678 -17.932 5.028 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 3.297 1.575 -6.674 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 -11.563 -4.052 -13.483 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 -8.336 -1.002 7.410 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 -2.351 2.556 3.506 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 -6.665 -8.701 -3.767 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 1.542 -1.375 12.954 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 -9.201 -10.930 -6.872 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 -27.489 -3.896 -14.918 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 8.609 9.438 13.347 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 0.945 -0.439 -3.251 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 1.467 2.665 -2.204 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 4.028 -1.715 0.311 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 -0.350 -5.326 3.460 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 -4.346 -14.099 7.033 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 -4.212 -11.614 6.088 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 -1.889 -2.277 0.136 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 8.822 -18.207 7.291 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 6.338 -29.175 3.600 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 -3.731 -7.576 -6.464 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 -6.095 -11.709 -7.161 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 -7.734 -4.466 -4.223 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 3.761 0.397 0.723 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 -4.838 10.159 0.769 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 10.625 5.991 -12.816 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 0.978 5.438 5.570 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 3.228 9.225 12.975 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 3.171 6.392 -3.859 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 2.406 -0.113 -0.301 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 4.126 -4.365 2.900 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 10.934 -8.946 -3.898 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 5.730 2.175 2.061 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 19.961 -2.217 1.595 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 4.500 1.382 1.919 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 1.715 -0.704 5.385 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 -0.657 3.791 3.629 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 -0.708 -0.234 6.575 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 1.416 -9.305 -1.596 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 9.108 -32.783 -23.243 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 -10.252 -14.184 19.357 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 -0.803 5.103 -1.501 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 20.243 6.781 6.091 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 9.051 6.587 -2.918 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 2.269 -0.776 -0.990 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 -1.691 0.526 -17.233 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 -1.942 -17.740 4.624 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 -1.638 5.236 4.684 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 16.123 -3.514 7.222 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 3.236 -5.566 -2.454 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 1.779 -1.536 2.541 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 22.374 -2.385 -10.956 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 -6.201 -6.232 11.364 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 3.329 2.635 -1.593 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 -3.653 -14.928 -18.119 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 -4.508 -1.601 -13.350 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 -2.772 -3.074 0.633 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 -4.310 -4.592 22.543 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 6.432 -13.311 -4.640 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 1.647 -3.789 0.630 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 3.380 2.470 1.988 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 -3.303 -3.586 -5.811 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 -6.535 4.888 -3.351 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 -28.356 4.091 -2.408 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 -20.931 -1.063 -11.413 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 -1.407 0.632 3.891 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 13.957 -2.312 -15.049 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 -16.888 -11.191 7.470 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 -2.622 2.968 1.789 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 -14.704 3.543 -6.262 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 6.296 -2.793 -8.859 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 3.025 6.721 1.218 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 -5.231 21.996 -19.062 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 3.907 -9.791 -7.480 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 0.191 1.032 -1.750 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 4.597 34.719 5.803 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 6.083 -5.235 -7.299 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 -2.274 7.872 -6.168 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 -6.624 0.864 -1.123 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 -5.417 -3.640 -3.615 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 2.909 -0.421 -1.432 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 1.824 -4.522 -3.120 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 -1.786 -4.648 -9.974 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 1.900 -8.407 5.040 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 -0.256 -18.392 -3.973 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 6.119 9.565 7.121 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 1.593 -6.042 -1.971 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 -11.017 2.140 -2.889 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 -29.069 23.214 -16.128 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 -7.555 -0.952 -2.710 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 -2.639 -7.765 2.777 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 -8.041 -0.188 -2.908 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 7.987 2.923 -0.848 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 -8.656 12.590 -10.223 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 -17.385 11.832 20.869 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 -1.416 -5.581 -0.430 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 10.974 -5.410 -4.444 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 -3.515 -6.802 4.706 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 0.345 -0.542 4.047 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 4.587 27.852 -24.543 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 -11.467 -27.015 -13.110 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 0.683 -0.709 6.212 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 7.889 -0.608 3.153 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 1.861 4.644 14.974 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 3.698 0.531 -2.854 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 3.747 -1.344 -10.000 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 -31.444 -7.695 -2.382 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 -5.611 1.162 -8.286 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 30.950 28.086 -16.977 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 -19.458 3.835 17.224 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 1.869 -3.289 0.809 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 -4.309 9.636 -4.184 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 18.411 -2.920 8.151 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 -3.624 9.791 -0.015 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 -1.146 9.716 -4.287 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 -4.431 9.145 -0.210 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 7.283 -3.901 -3.667 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 43.737 -2.319 -18.267 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 -15.201 -0.429 9.792 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 2.861 -3.254 -0.511 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 -14.203 -3.578 -12.530 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 0.232 4.299 3.906 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 3.325 -0.676 1.911 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 -10.931 1.985 -0.980 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 7.258 11.364 -3.356 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 -0.576 0.712 1.985 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 0.260 15.752 -11.136 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 -15.676 -10.605 12.953 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 -2.629 7.330 3.404 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 0.844 -1.409 4.332 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 1.619 -3.865 4.371 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 -0.856 -0.159 0.010 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 -16.906 -13.692 28.417 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 -0.489 0.298 -0.595 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 2.051 3.830 -4.204 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 -22.001 11.952 -11.154 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 0.406 -7.474 -3.733 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 -1.033 1.165 2.001 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 -7.788 0.924 -5.141 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 2.088 0.783 7.370 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 -0.596 0.752 0.493 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 19.530 8.852 7.255 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 15.646 -17.811 2.079 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 0.788 5.123 0.699 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 2.014 5.177 -2.114 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 0.183 5.026 1.424 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 0.738 3.135 -3.615 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 -1.965 -1.010 3.318 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 -5.659 0.708 -9.691 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 0.388 2.360 1.647 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 1.368 2.921 -0.801 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 13.513 6.684 -16.198 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 -0.495 3.351 -4.372 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 -12.639 0.064 -15.636 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 5.044 7.361 16.613 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 -3.807 -4.363 3.115 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 -6.453 6.355 -7.686 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 8.248 1.187 -2.187 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 1.199 5.979 1.545 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 -19.025 -2.709 17.117 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 12.987 -0.713 16.584 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 -4.831 -0.134 3.179 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 -5.617 -16.273 -5.044 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 7.000 -40.507 1.569 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 -4.551 -1.283 8.464 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 -12.747 -1.438 7.823 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 -41.856 14.080 1.999 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 -3.102 -2.201 9.153 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 -2.579 6.870 11.989 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 -6.320 11.994 13.699 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -2.744 1.015 2.339 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 -13.018 11.203 -12.847 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 -10.724 10.829 -14.317 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 -0.207 1.794 2.041 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 5.445 5.358 -9.895 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 -12.427 2.984 -0.158 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 -3.482 0.786 -2.906 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 -9.209 5.040 17.828 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 5.601 6.535 -23.013 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 -3.174 1.347 -3.728 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 -4.312 21.013 -9.741 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 1.208 8.444 -5.470 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 -5.349 7.430 -6.184 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 8.675 21.505 10.223 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 -7.765 -3.219 -7.408 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 0.105 7.714 -0.431 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 25.764 -24.280 21.148 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 9.725 1.824 9.092 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 2.979 -1.011 0.519 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 0.375 20.468 -9.388 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 -9.896 3.995 22.590 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 3.354 -1.541 1.763 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 12.968 5.748 16.433 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 7.353 6.224 1.348 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 -2.343 2.351 2.759 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 8.275 36.118 3.779 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 -3.997 8.773 2.282 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 2.279 -4.027 4.284 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 -15.372 4.736 -11.858 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 1.098 -6.830 -1.932 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 1.259 -2.703 5.393 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 -4.259 -9.097 22.715 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 10.778 -13.924 10.125 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 2.009 2.051 0.697 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 2.839 -4.704 -18.335 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 -16.543 14.418 5.941 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 6.795 1.242 0.443 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 15.529 -0.664 -1.702 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 -12.090 9.173 -7.531 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 -8.058 -3.112 -0.791 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 -8.537 -2.333 -3.406 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 -6.339 -2.363 -0.661 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 1.598 -2.035 -1.805 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 -4.302 -7.135 -5.056 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 -11.457 -17.557 6.847 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 3.181 1.008 0.197 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 -10.492 -5.665 10.011 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 -3.060 21.448 -0.728 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 -3.724 6.792 -2.642 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -16.268 12.872 8.549 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 10.308 19.687 0.919 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 0.333 -3.005 0.430 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 4.733 13.883 -10.617 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 1.890 3.352 8.368 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 2.300 -1.823 1.832 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 -6.075 0.913 31.451 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 3.694 -1.180 1.228 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 0.086 -1.364 -2.618 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 10.606 12.321 -8.255 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 -0.239 0.947 -2.271 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 4.962 2.193 6.479 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 -13.123 -5.214 4.362 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 -0.535 29.581 19.612 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 -0.726 3.198 -0.829 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 -16.801 3.322 -11.287 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 -8.041 3.405 12.450 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 5.308 -1.145 0.366 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 12.491 1.908 4.757 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 -1.839 10.930 -13.437 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 -0.285 -4.202 -0.919 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 -8.523 -9.621 4.779 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 10.610 3.042 -8.688 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 -1.145 -1.961 0.418 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 4.446 6.462 -11.489 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 4.625 -15.988 -1.533 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 -11.495 3.235 -12.877 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 5.262 -0.860 -11.560 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 -0.888 -0.678 8.556 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 -5.025 3.500 -1.031 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 4.411 -5.682 7.623 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 -8.918 -3.142 -0.368 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 6.023 -4.159 -0.930 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 11.897 -22.266 -1.242 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 6.824 -3.809 -11.999 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 0.169 8.798 2.378 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 1.341 8.219 -5.071 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 -13.498 17.330 -36.078 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 0.490 2.016 -1.103 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 -18.530 13.852 9.709 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 -11.870 -7.597 -10.144 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 -2.625 1.878 7.223 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 -27.714 14.241 14.560 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 15.892 12.737 25.860 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 -3.219 5.058 1.092 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 -9.836 -7.074 -14.092 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 -38.159 -2.258 11.668 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 -4.310 1.463 3.352 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 -22.114 -3.050 -2.617 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 -3.358 12.948 9.666 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 2.097 -3.905 -3.409 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 2.671 10.656 5.681 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 -7.609 -16.212 6.683 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 0.317 -1.436 -2.271 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 -25.073 -19.493 0.228 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 9.141 18.571 -6.297 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 1.521 0.760 6.748 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 9.560 7.535 26.022 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 2.272 -3.649 23.979 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 -1.851 5.839 -4.433 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 3.846 -11.749 -3.954 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 11.307 3.652 4.132 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 -1.932 1.314 -4.444 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 13.179 -25.752 5.406 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 -0.550 -14.353 -2.219 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 -0.519 -2.564 0.693 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 -34.101 9.256 32.876 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 -0.202 -16.089 -6.897 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 7.950 4.578 3.805 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 3.214 7.279 -1.852 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 5.752 7.867 10.600 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 -2.089 1.420 -5.889 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 -6.792 0.750 -9.707 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 -2.187 5.921 7.234 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 1.407 0.459 1.463 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 1.068 2.489 4.733 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 6.035 2.936 9.030 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 3.868 2.090 -2.430 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 27.866 12.098 -11.613 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 -12.259 -8.462 -11.826 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 7.400 -3.834 4.001 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 -4.408 -31.265 -12.286 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 11.144 -3.758 8.142 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 -7.444 0.437 -3.317 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 -8.609 11.695 -3.755 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 12.822 -2.461 3.686 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 0.204 6.170 -1.290 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 3.614 1.860 6.277 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 -7.909 13.813 -14.394 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 1.467 -4.477 -3.848 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 3.177 5.186 -4.930 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 17.975 -15.067 -0.037 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 3.555 2.840 -5.002 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -1.548 0.088 1.813 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 -6.008 -6.754 -0.354 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 2.510 3.877 2.062 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 16.347 13.293 5.558 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 -4.984 -29.237 3.145 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 1.724 -0.404 -1.636 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 -0.916 21.541 -18.579 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 -25.598 -2.744 0.369 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 0.542 -0.508 2.162 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 1.908 3.686 5.308 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 2.086 19.767 1.257 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 -3.782 4.099 -1.150 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 -16.289 -11.794 -5.568 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 8.200 -5.117 4.460 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 -4.563 -6.950 -0.358 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 20.993 -18.209 7.811 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 -21.587 3.999 -20.543 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 -0.421 -4.164 0.873 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 -7.482 -6.800 3.524 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 1.904 -6.725 3.212 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 -3.037 -4.361 -3.819 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 -14.754 -4.648 -9.722 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 13.753 -26.570 -23.968 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 -4.902 -0.264 0.677 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 -9.667 -12.453 -5.482 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 -5.392 -4.915 -0.925 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 -0.198 -3.541 -2.220 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 27.996 12.120 -1.882 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 -15.375 16.120 -16.086 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 2.048 -0.421 -5.164 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 -8.182 -8.499 -15.727 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 23.721 9.601 -20.546 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 -0.761 -0.055 -5.200 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 18.415 -0.030 -15.063 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 -4.618 14.368 18.263 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 2.964 -0.997 -0.406 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 -8.210 -8.261 -10.491 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 -5.234 -0.632 -3.474 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 -2.557 -2.141 2.288 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 -9.427 -0.711 3.027 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 -1.804 2.012 -4.283 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 -4.644 -3.388 1.741 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 -5.211 -6.738 4.292 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 -2.505 -7.003 -0.806 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 -0.348 -1.063 -4.432 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 3.096 -6.187 -6.280 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -2.283 11.437 -10.540 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 -0.525 5.006 0.883 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 3.699 -4.972 -12.340 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 -13.360 -4.149 -13.760 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 -0.789 -3.357 -0.077 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 4.596 1.548 -7.245 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 5.870 -15.648 1.899 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 2.392 -1.133 -2.974 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 5.577 -0.537 -4.007 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 7.296 -8.745 -1.215 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 -3.820 -0.591 -1.355 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 -10.688 -0.102 7.378 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 3.992 13.685 -3.585 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 -1.380 -1.021 -2.861 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 -9.629 -0.017 -2.529 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 4.661 3.573 -6.245 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 -6.058 2.326 -2.098 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 -10.484 5.994 -18.519 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 -1.493 -16.104 -11.067 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 1.168 -7.506 6.858 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 -10.275 -5.536 14.356 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 -7.550 5.154 -2.980 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 -4.233 -0.165 -8.298 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 -5.722 2.773 -14.573 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 23.308 -18.286 0.022 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 -0.593 -1.491 -2.872 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 -9.096 4.915 -5.944 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 -2.750 0.116 -3.602 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 -0.979 3.491 4.609 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 -6.173 -1.646 8.140 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 -5.856 7.279 1.177 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 -0.279 -5.218 0.028 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 11.179 0.267 -1.998 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 7.290 0.830 9.262 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 -5.758 -0.142 -8.066 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 -12.036 -1.045 -3.397 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 2.295 -4.732 7.092 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 -5.253 -4.196 5.831 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 -18.209 -14.232 1.622 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 23.282 -13.123 2.222 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 -6.326 -3.716 -5.689 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 -5.846 -5.498 0.238 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 -5.293 -7.193 10.089 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 -0.167 -3.117 1.030 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 15.166 -22.981 6.704 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 -19.018 3.866 26.418 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 2.032 -0.406 -0.687 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 -5.316 14.106 26.044 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 3.224 4.497 16.896 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 0.846 5.794 -1.113 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 2.532 -1.851 7.847 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 5.305 1.624 -17.625 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 5.821 0.702 2.641 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 24.663 4.774 -5.553 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 18.822 7.247 -9.277 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 1.395 -1.956 4.217 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 10.361 -12.228 5.973 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 1.491 11.077 1.627 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 2.687 -0.062 -4.399 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 -1.970 12.927 7.645 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 5.203 2.570 6.564 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 0.002 -0.710 1.578 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 -17.015 -8.873 -0.257 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 14.273 6.003 -2.294 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 0.478 0.927 -1.136 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 3.291 -10.354 -9.562 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 17.321 1.808 -15.580 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 -8.161 -6.905 -3.392 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 -9.036 -18.291 -5.270 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 -6.659 -12.916 -1.224 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 2.429 -0.825 -1.713 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 16.710 -11.116 -19.113 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 -20.219 3.743 -15.780 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 -1.015 -4.224 -1.619 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 -12.287 -4.604 2.325 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 -1.249 -5.360 25.804 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 2.124 -2.133 -1.627 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 -28.587 -3.148 33.646 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 14.094 2.231 -26.679 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 -14.477 -1.786 -1.958 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 -11.148 -1.095 -4.787 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 -19.413 15.192 -4.411 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 9.704 5.722 -1.075 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 10.995 1.430 5.143 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 10.069 1.068 8.365 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 -1.599 -3.129 -3.678 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 7.678 0.315 -5.042 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 0.033 30.064 -9.736 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 -3.697 0.073 4.139 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 16.275 -16.706 4.531 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 9.645 37.338 2.916 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 4.736 -0.526 -3.380 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 -5.810 23.695 3.587 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 -13.378 1.105 -18.935 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 0.717 3.194 0.305 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 2.562 1.026 -6.612 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 -4.652 0.980 6.157 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 -0.880 4.720 4.181 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 3.926 -18.996 -4.361 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 5.154 20.138 7.428 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 -6.061 1.894 -0.916 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 -22.671 -9.522 -17.434 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 -7.647 11.897 13.405 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 0.298 -3.119 0.697 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 -10.478 8.712 0.895 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 -13.329 -16.589 -9.597 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 -2.072 -2.068 -1.849 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 -11.576 8.873 -13.566 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 1.230 -8.157 -7.735 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 6.165 1.050 -2.160 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 -8.174 11.668 12.980 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 -1.073 16.016 -28.481 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 6.037 7.894 6.398 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 -11.811 -11.031 -21.366 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 -7.638 14.872 13.049 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 7.310 3.031 0.148 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 7.424 12.796 -4.184 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 2.691 -2.961 -5.630 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 3.525 -3.305 -0.945 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 -9.511 5.031 -8.668 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 5.044 4.828 -8.525 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 -0.313 8.454 -1.100 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 3.181 21.498 17.927 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 6.542 -2.253 17.147 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 4.901 10.686 -3.229 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 20.012 -15.469 -5.425 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 -14.610 17.867 -11.928 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 -4.887 -4.569 4.862 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 -5.237 -7.057 8.252 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 4.855 -15.016 4.289 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -0.509 5.129 -1.966 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 -3.391 4.132 -9.204 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 13.524 15.585 1.074 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 -9.172 -6.341 8.463 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 -26.091 -23.668 17.803 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 -11.063 -6.602 9.072 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 -8.747 -3.213 -0.625 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 -25.369 3.702 -11.686 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 -14.154 15.596 13.356 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 -3.035 -3.070 -5.085 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 5.258 0.903 -7.377 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 4.070 -2.760 -5.862 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 -5.784 -1.839 -0.208 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 -12.294 -10.040 12.082 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 0.264 -2.940 -6.087 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 -3.570 3.888 5.032 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 -6.296 5.275 -4.326 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 -9.254 6.503 -7.890 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 0.304 -0.220 2.746 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 3.569 13.480 1.468 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 5.721 -15.074 -9.687 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 2.936 -4.733 3.807 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 -10.001 18.064 -5.195 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 -18.848 -3.820 -14.560 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 1.363 -2.265 2.471 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 -2.381 -4.143 -2.718 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 -1.556 -14.847 10.626 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 2.764 -1.455 -1.108 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 -4.984 -18.556 -3.277 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 -8.353 6.760 -11.431 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 6.029 0.997 -5.420 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 -11.563 2.609 0.982 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 -10.182 5.640 3.918 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 4.619 -3.491 1.837 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -6.359 -2.846 -8.401 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 13.154 -4.129 -20.599 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 3.418 4.387 -1.762 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 2.877 0.048 2.365 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 3.164 -2.741 -8.221 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 6.782 -4.758 -3.297 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 -27.626 -14.537 -25.596 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 1.049 -9.115 1.596 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 0.183 7.618 2.553 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 8.066 2.887 4.805 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 2.838 -10.804 -2.312 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 -2.986 -0.396 -6.135 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 -5.521 7.978 19.274 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 -0.540 -9.107 -3.404 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 2.717 -2.511 0.405 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 -13.065 -29.747 -4.403 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 7.911 17.395 -15.616 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 7.788 0.234 -4.117 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 16.200 -5.431 -5.608 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 10.914 -16.146 16.441 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -1.261 1.794 -1.107 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 -1.051 7.209 1.961 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 -7.721 -29.154 -8.146 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 2.082 -1.549 -0.837 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 6.450 2.539 -7.917 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 20.415 -8.970 -8.467 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 -1.956 -1.198 2.180 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 15.769 -8.031 26.745 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 1.564 -16.308 2.220 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 -0.819 -6.916 4.012 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 -0.651 9.034 -4.092 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 -15.161 -22.510 -6.289 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 -0.804 -1.792 -1.627 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 -17.123 -24.869 -8.938 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 14.184 0.021 -15.560 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 -5.256 4.304 -1.193 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 -8.605 10.799 14.470 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 -9.111 21.228 2.699 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 5.367 3.335 2.179 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 5.736 11.045 6.029 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 -5.421 2.427 8.001 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 -3.484 1.027 2.143 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 -0.899 9.768 -0.445 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 -5.984 -6.331 -11.319 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 -0.777 -1.431 -2.723 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 4.860 4.918 -16.171 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 4.117 -6.278 9.907 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 4.348 1.205 9.137 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 -0.536 -1.019 6.245 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 4.629 5.770 16.257 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 4.272 -4.913 -6.452 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 1.935 -5.807 -21.842 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 16.466 -1.673 -2.647 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 -4.672 -3.088 -7.860 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 -4.189 -3.701 -22.494 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 6.040 6.762 -10.121 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 3.159 -2.193 -3.170 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 -0.772 3.298 6.313 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 8.468 -8.272 -12.430 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 -1.652 5.858 -0.267 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 5.785 6.740 12.175 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 4.312 6.517 -8.763 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 -0.936 -0.286 -5.926 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 -4.238 3.730 21.912 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 -28.732 -40.776 9.792 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 -2.979 -0.985 -3.746 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 2.532 -10.489 -32.999 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 -21.990 5.657 16.178 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 -1.504 -4.631 -2.416 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 7.563 -9.227 8.895 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 -8.503 -1.563 -10.762 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 -2.765 -0.342 5.515 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 -0.045 21.418 2.427 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 -2.088 -0.883 11.194 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 -0.571 1.540 2.318 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 2.260 1.125 12.099 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -1.701 -5.800 7.416 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 -4.111 -0.392 -1.512 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 -0.147 -1.652 2.845 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 0.990 1.946 -16.474 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 3.932 -6.532 3.378 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 -0.777 -5.133 15.130 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 -15.379 -7.620 -4.627 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 -9.873 0.568 4.096 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 -12.219 -3.640 -2.628 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 -8.818 -11.266 -17.860 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 -4.375 -4.380 -2.565 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 -11.478 3.072 1.966 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 30.288 -21.453 -1.642 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 8.727 -7.150 -2.218 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 4.548 32.832 21.314 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 7.648 5.496 5.656 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 -5.399 -5.653 2.043 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 -9.424 -5.691 -9.709 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 -10.838 -6.557 -16.478 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 -0.634 -6.479 -4.536 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 29.848 -5.817 -16.563 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 -12.969 -17.364 9.194 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 1.994 4.688 -2.317 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 2.830 2.981 -4.232 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 6.653 2.370 -2.229 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 -0.047 -6.248 2.856 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 -9.814 -0.529 3.422 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 -25.746 -4.559 11.060 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 5.760 2.300 1.254 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 8.321 0.765 3.523 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 -11.329 3.751 -5.224 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 -0.121 1.905 6.766 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 -0.112 18.214 -1.025 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 0.428 -7.186 -2.807 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 0.627 -5.472 -2.372 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 -4.976 -7.960 -9.391 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 -0.492 -10.274 0.373 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 -2.483 0.413 2.299 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 -5.825 2.015 -9.627 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 9.482 8.290 -3.099 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 3.294 4.098 -4.368 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 3.314 6.708 -5.416 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 2.200 -2.866 1.988 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 -4.596 -0.155 -4.373 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 -4.495 3.921 -9.388 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 -6.649 4.863 -6.112 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 -0.791 1.836 0.770 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 -3.419 -3.432 6.096 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 2.799 2.644 -1.105 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 -0.355 0.605 2.191 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 6.830 4.936 8.501 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 18.293 14.660 8.555 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 -6.752 0.550 -0.600 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 -16.957 -20.796 -20.433 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 -23.653 15.026 12.553 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 2.389 10.673 -3.111 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 8.245 2.023 -4.484 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 11.778 -23.005 4.418 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 -0.622 -3.900 -7.333 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 -1.279 -9.029 -24.140 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 -4.286 -3.461 4.668 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 -1.326 -2.375 0.362 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 -6.672 -18.280 -7.365 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 6.173 11.268 -13.448 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 -1.148 -1.551 0.093 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 -1.875 -3.500 0.930 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 5.117 7.760 -4.766 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 -7.099 8.989 -2.784 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 0.381 7.881 -8.330 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 -8.560 6.967 5.101 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 -3.811 9.781 1.476 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 4.493 -7.280 4.119 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 -11.530 8.937 3.072 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 1.052 4.475 -2.359 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 -2.239 -2.466 11.493 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 14.940 4.076 -9.380 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 -4.622 -3.649 -2.681 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 -0.360 8.063 3.024 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 -4.110 0.502 -0.951 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 0.938 5.154 6.429 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 -11.195 25.966 14.251 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 -7.189 1.288 -9.328 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 -3.930 -1.420 -0.114 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 22.568 0.553 -4.816 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 -16.516 -13.350 -8.265 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 0.248 -7.232 0.485 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 -2.576 -6.936 0.442 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 1.920 -4.419 -4.784 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 1.928 7.381 3.173 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 -1.488 2.455 3.060 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 -2.326 -10.544 4.768 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 -2.952 5.451 6.013 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 -1.889 -2.098 13.387 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 5.863 9.904 12.985 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 -2.476 -0.354 0.583 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 -3.820 3.053 4.935 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 7.579 8.027 -1.437 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 4.193 -1.936 -0.072 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 -5.969 -12.076 9.411 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 14.489 -1.961 3.947 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 -2.817 2.072 5.320 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 -0.129 -3.100 -3.314 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 -9.755 15.043 -2.069 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 1.911 -4.588 -3.125 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 4.520 -4.494 -2.330 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 -4.682 -3.842 1.282 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 -3.903 4.776 -6.735 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 0.751 4.742 -2.101 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 -21.579 5.995 -18.593 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 -0.478 -0.024 3.222 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 12.321 15.818 -4.178 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 12.891 -14.262 9.581 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 5.625 -0.302 -4.022 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 13.730 -0.160 2.240 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 -0.774 8.005 -12.518 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 -8.406 3.593 -3.646 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 -15.493 48.391 8.967 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 -4.088 -16.515 -29.120 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 4.184 4.032 -0.881 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 -5.237 -5.229 -16.245 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 10.850 11.991 11.813 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 3.253 0.160 -1.011 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 -11.720 9.227 -2.236 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 -21.555 5.158 2.971 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 0.303 -0.723 1.241 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 -2.849 -0.793 1.166 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 -0.809 -7.696 -8.699 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 -0.681 1.136 1.750 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 -2.416 -4.570 -3.944 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 0.774 11.281 -4.788 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 0.056 -6.407 -2.856 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 5.239 -11.771 -1.700 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 21.496 -15.004 7.758 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 1.139 0.453 -1.352 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 6.161 -18.028 3.907 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 -6.546 2.480 -20.221 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 -2.048 0.239 2.301 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -0.634 -13.490 3.225 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 -2.769 -18.078 2.457 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 1.554 4.789 3.649 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 0.655 12.202 7.118 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 10.284 7.577 4.060 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 -1.007 -0.421 -1.516 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 10.374 2.435 -9.842 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 -18.922 4.191 12.050 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 7.147 -2.273 -1.032 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 -7.840 2.163 9.654 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 -12.982 4.100 19.751 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 0.689 -0.509 6.470 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 11.206 12.318 7.584 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 14.362 -6.227 1.660 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 -2.320 4.063 -4.156 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 -4.724 36.431 -2.712 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 -4.815 12.697 -8.745 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 -2.172 3.897 -0.023 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 0.325 -0.042 -6.744 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 -7.912 13.915 14.726 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 6.485 -1.622 -4.485 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 7.946 -14.087 6.248 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 -2.200 -11.927 -16.664 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 1.129 2.074 0.367 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 -23.463 -8.540 12.417 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 14.114 -11.673 3.310 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 0.146 2.580 -0.141 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 -16.534 0.507 5.471 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 -5.044 -18.766 -3.537 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 1.451 -5.941 -1.493 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 1.221 -13.712 -15.878 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 -1.561 -4.404 11.511 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 1.674 1.569 -11.654 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 7.887 4.158 -18.815 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 2.454 9.120 -16.560 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 5.147 4.216 -2.430 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 -0.035 10.060 -23.599 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 -2.054 -11.397 -17.414 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 -2.635 2.178 2.904 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 20.556 7.970 -5.364 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 -26.303 -22.939 7.668 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 3.970 -5.873 3.410 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 -8.018 10.630 5.767 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 -4.999 3.716 12.013 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 0.693 6.738 -0.940 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 9.178 -34.384 12.272 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 5.609 -9.066 4.242 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 4.593 0.295 6.653 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 13.441 6.872 -7.200 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 -10.233 9.793 13.933 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 -4.274 -1.945 3.044 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 -18.388 -6.012 8.216 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 -0.180 9.438 12.420 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 -0.817 1.055 -4.554 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 4.732 -9.262 -14.250 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 -6.943 -0.097 9.431 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 -0.404 -4.373 -0.494 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 16.773 -4.670 9.604 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 7.288 -4.665 9.188 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 -4.762 -0.077 -1.761 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 -10.669 -9.293 -11.234 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 -10.170 5.194 6.354 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 2.238 -4.830 1.753 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 6.766 -11.938 0.535 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 17.022 -5.728 -6.524 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 -0.633 0.279 6.682 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 3.299 -2.806 8.153 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 0.058 -1.240 7.914 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 -2.736 1.618 2.692 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 -2.486 -1.643 -0.385 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 -6.762 3.256 2.961 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 3.102 1.904 5.139 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 7.549 2.119 -6.086 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 -0.437 3.935 -3.317 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 0.920 3.145 0.899 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 2.062 -11.026 9.100 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 20.198 5.348 20.308 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 -1.890 8.755 -9.500 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 14.919 -10.707 -8.365 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 -0.144 1.018 -14.542 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 2.222 1.437 -0.251 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 2.364 -3.009 0.081 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 0.244 5.620 6.906 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 -1.078 -0.377 -7.063 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 -12.485 -2.933 7.447 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 8.934 14.027 -5.289 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 -2.041 -3.869 -4.287 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 5.342 1.292 1.919 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -0.971 4.940 -11.687 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 6.360 -4.005 4.613 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 21.164 -7.829 22.092 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 6.601 8.753 -0.424 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 -0.302 -5.427 -0.213 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 -10.233 0.390 11.253 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 -17.676 -5.244 -12.476 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 -3.257 -2.439 5.031 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 -5.637 2.311 6.203 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 1.992 -3.953 7.869 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 2.985 -3.230 -6.400 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 -2.211 -5.795 -13.393 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 -0.953 2.660 0.748 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 5.182 6.743 -4.929 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 8.873 2.406 -5.506 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 -0.194 4.337 -10.237 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 -1.235 1.136 0.939 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 11.893 11.203 7.807 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 -19.771 -14.137 26.711 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 4.341 -2.799 -4.875 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 13.763 -12.592 -5.097 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 2.484 1.107 -18.333 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 0.174 -3.131 -1.264 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 6.174 -9.416 5.428 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 -9.358 4.934 -11.494 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 4.096 4.074 -4.244 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 -3.958 10.389 -14.642 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 3.437 -10.166 6.170 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 4.541 -1.119 0.896 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 16.859 -11.597 8.477 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 -11.152 -18.860 4.656 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 -4.495 9.130 -6.778 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 -6.592 5.729 2.477 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 -1.435 -8.396 21.044 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 -3.512 1.496 2.612 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 -6.336 3.820 14.848 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 0.711 -13.981 11.185 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 -6.774 0.558 -4.240 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 -10.362 5.750 -2.077 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 1.044 -4.769 -6.273 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 -2.626 7.049 1.784 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 22.706 12.239 -6.341 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 8.193 13.180 0.919 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 -4.727 -0.905 0.534 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 -18.398 -6.804 7.595 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 9.022 -7.675 7.989 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 -2.147 1.354 -2.481 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 -16.465 -4.582 5.847 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 5.799 4.341 -15.590 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 2.710 -1.831 0.530 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 0.686 3.038 7.054 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 0.033 11.098 -7.873 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 -2.525 1.022 5.321 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 7.130 -6.447 13.521 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 2.926 -2.722 13.351 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 4.181 -5.937 -8.060 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 -23.719 -5.351 -15.032 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 1.011 -2.280 23.826 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 2.435 -2.362 4.492 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 7.415 22.794 0.635 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 -16.049 -1.615 0.420 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 -0.882 3.002 2.491 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 -3.114 -1.586 -13.369 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 8.177 -0.539 -0.657 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 6.940 -1.459 6.852 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 16.937 -10.208 14.157 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 -6.711 -9.934 8.753 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 -1.332 4.613 -3.555 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 -6.975 9.682 -5.363 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 25.396 -0.338 5.481 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 1.205 -2.084 -3.301 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 16.544 6.050 9.229 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 -14.176 6.864 -11.612 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 -1.938 10.042 4.210 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 7.363 8.409 -9.548 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 -23.582 20.488 3.170 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 6.863 -4.282 1.531 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 14.399 -16.487 -2.273 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 3.387 -1.151 0.858 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 -2.241 -6.937 -2.933 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 4.917 -3.124 2.110 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 -15.621 4.175 -15.554 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 -5.410 -0.084 -0.472 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 -6.377 2.598 1.718 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 -13.656 12.713 17.574 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 0.810 -1.186 -0.526 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 5.770 15.959 6.362 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 14.474 3.522 -4.161 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 3.887 4.287 0.155 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 6.297 18.261 -9.455 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 8.009 -0.624 2.895 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 0.378 3.813 -2.862 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 -25.071 22.521 -15.883 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 31.926 4.437 16.138 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 6.495 5.007 -0.794 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 19.856 1.231 9.267 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 30.453 -11.508 -10.887 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 0.556 6.366 7.538 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 -10.590 25.721 -32.867 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 -7.658 -8.294 2.061 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 -1.945 -2.381 1.986 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 2.625 -13.813 5.396 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 8.839 0.489 -1.442 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 -0.977 -4.751 -2.544 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 -11.598 -12.037 -3.325 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 25.701 14.715 21.889 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 8.947 -1.536 -7.961 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 1.144 1.023 -15.829 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 0.122 -8.435 -5.550 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 6.087 4.722 1.185 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 -5.307 3.024 12.113 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 11.962 3.660 -10.339 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 -0.111 2.819 4.600 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 4.997 1.926 -8.909 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 -10.677 15.201 4.167 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 -4.160 4.967 -1.983 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 -15.819 1.731 6.993 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 5.940 3.352 -7.445 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 6.983 -2.141 1.505 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 -0.039 -5.482 -1.546 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 19.499 10.753 17.777 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 -1.429 -7.600 -2.633 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 -1.896 3.086 -3.680 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 15.351 22.772 10.061 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 1.209 -0.741 -5.441 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 15.221 -2.878 21.900 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 3.150 13.154 -4.326 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 0.660 -1.503 -2.568 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 10.173 -3.591 -7.597 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 9.265 5.438 -7.690 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 -3.791 -3.696 0.465 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 -3.572 -4.084 1.332 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 -8.967 -6.130 8.094 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 1.809 5.119 1.182 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 14.070 -17.073 -2.781 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 10.994 3.544 2.464 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 -6.262 -0.498 -0.264 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 -3.287 15.888 1.684 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 -16.687 -1.296 2.158 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 -2.041 0.102 -0.061 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 24.049 -4.411 -6.257 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 11.620 18.629 18.100 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 8.499 4.240 -0.150 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 9.357 -18.912 -7.385 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 -6.395 14.918 -17.575 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 1.389 -0.912 -7.228 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 -1.716 -5.135 -1.678 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 5.371 -12.514 -9.697 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 2.357 5.522 -0.473 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 -4.389 2.158 -9.988 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 0.148 6.706 -1.385 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 1.272 -2.832 2.404 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 13.155 16.082 -9.535 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 -28.469 3.584 12.137 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 -2.267 1.212 -5.456 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 -12.638 -6.710 6.021 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 8.357 10.253 -15.972 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -1.773 -0.832 3.013 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 -8.480 -8.830 -20.322 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 -6.324 -4.566 -15.982 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 -4.850 1.185 -6.534 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 3.356 2.770 0.510 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 8.757 5.177 5.153 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 -0.659 -0.283 0.330 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 3.771 34.064 18.524 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 34.859 7.473 3.621 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 2.740 -1.203 3.369 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 -4.350 -1.962 -8.910 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 13.699 10.680 -0.441 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 2.045 2.246 1.049 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 -3.362 20.900 8.681 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 -1.529 -2.392 -7.897 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 4.343 -5.202 2.360 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 1.264 -4.609 -3.499 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 10.808 -9.567 -1.461 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 1.490 -0.730 2.616 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 0.815 -5.835 -13.425 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 -9.062 -0.730 0.567 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 3.260 -2.666 -4.387 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 2.885 -0.317 -8.634 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 3.240 -5.785 -6.678 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 3.746 4.287 -1.885 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 -7.743 -2.928 -5.318 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 7.718 2.948 5.956 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 8.216 2.838 1.344 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 -1.654 0.969 0.101 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 13.506 -1.845 -5.995 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 -3.032 0.207 1.645 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 -9.582 -12.957 -0.906 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 4.508 -6.973 1.779 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 -5.274 0.203 -4.632 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 -15.554 -3.563 -31.231 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 15.661 1.527 -8.874 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 3.666 -4.008 6.054 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 13.231 2.467 -27.646 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 -31.919 9.716 -31.369 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 -4.013 -0.122 -0.770 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 14.370 -0.731 -12.296 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 -21.000 -2.372 -7.461 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 0.137 -2.227 -0.800 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 -10.921 10.470 -18.550 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 27.573 -1.029 4.839 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 -4.488 0.080 -5.698 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 16.148 4.225 1.386 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 0.164 -7.160 -24.080 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 -0.375 -11.768 -11.595 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 10.534 -3.639 1.456 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 -14.720 -13.723 -3.570 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 0.553 -1.677 2.578 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 -1.326 -13.125 -14.094 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 0.457 16.085 -11.468 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 -4.009 1.165 0.294 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 -4.562 -0.166 -1.818 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 -3.793 11.744 15.496 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 1.122 1.334 -6.874 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 10.555 -5.107 -15.313 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 10.533 4.743 5.063 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 4.213 -5.313 0.592 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 -5.428 -2.771 10.569 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 17.469 -7.111 -14.226 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 0.001 0.366 -3.558 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 -2.981 -3.227 -3.577 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 -7.110 8.139 -3.005 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 -3.824 -2.226 -0.787 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 -0.891 -4.447 -1.722 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 -6.553 1.796 -5.328 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 -9.153 -2.713 4.217 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -11.971 -25.953 2.455 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 13.293 5.953 -3.143 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 -9.643 -4.847 1.751 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 -18.286 27.941 9.243 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 -25.184 -4.625 2.925 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 3.528 0.780 1.144 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 33.147 1.565 -8.363 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 -37.600 2.594 16.890 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 1.369 3.615 -4.849 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 -0.331 -0.385 -7.567 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 5.751 1.814 -4.700 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 1.805 -0.375 -1.610 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 13.320 -0.453 -20.324 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 -11.303 -27.101 20.037 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 -1.534 -3.617 -1.741 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 2.814 9.568 11.420 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 -6.948 5.221 -6.363 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 4.647 0.981 4.631 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 -6.124 5.949 -10.165 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 12.791 8.533 2.537 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 -3.371 4.485 1.893 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 -7.795 -5.738 18.465 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 -20.608 -10.220 -2.933 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -1.921 3.956 1.855 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 -4.030 4.429 3.575 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 0.194 1.591 -1.470 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 -5.403 -0.074 -0.355 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 -4.012 19.700 -14.625 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 0.097 14.265 3.915 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 2.172 2.200 2.464 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 -9.305 21.786 17.948 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 4.887 0.947 1.311 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 -2.885 0.641 3.359 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 -0.283 19.163 15.973 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 13.773 -4.063 -6.217 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 -4.013 0.399 -0.211 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 12.788 0.567 -19.368 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 -12.153 1.599 9.606 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 4.038 3.568 4.203 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 4.075 -13.067 -5.175 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 9.383 7.786 5.472 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 0.002 0.040 -0.582 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 -15.529 -10.998 -0.319 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 12.234 7.629 -1.124 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 6.430 -2.561 0.951 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 4.652 5.917 -9.199 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 10.413 -16.202 20.235 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 -4.625 7.092 -2.875 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 18.557 21.747 -19.605 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 -6.527 0.219 -2.454 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 1.355 -8.500 -1.471 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 -17.666 -2.533 36.814 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 -25.529 -29.266 -24.793 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 -1.239 -7.055 -3.563 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 8.555 -1.349 16.439 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 12.153 3.589 -17.262 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 -3.131 -5.180 -3.234 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 11.108 5.261 8.003 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 0.789 12.298 -5.881 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 -0.680 2.923 3.394 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 12.824 -0.194 -16.531 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 11.023 -4.771 7.585 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 0.187 -6.599 2.153 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 0.264 9.816 13.627 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 -13.019 -23.078 -4.649 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 -0.058 3.768 -4.198 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 -1.027 4.077 -9.175 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 25.057 13.491 -1.876 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 2.734 -3.066 -4.317 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 -12.892 9.568 -15.798 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 -9.510 -13.211 -1.976 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 2.615 0.683 2.147 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 13.063 -10.044 8.947 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 -13.529 12.064 27.992 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 -1.339 3.769 4.933 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 17.676 -13.756 9.791 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 13.724 -20.463 16.298 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 -0.194 3.185 6.500 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 8.866 -4.102 4.117 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 -1.399 4.460 -0.409 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -0.789 2.700 0.928 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 -3.454 -9.610 10.706 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 -8.551 7.907 9.423 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 2.918 2.755 0.897 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 -1.738 -12.339 6.957 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 2.641 -2.883 -1.356 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 1.993 -1.677 -2.480 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 10.025 -2.116 3.803 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 2.619 1.645 4.824 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 -1.601 1.353 2.927 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 -7.045 4.668 2.856 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 -1.022 8.267 21.009 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 0.140 0.846 0.988 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 -14.646 13.444 -13.910 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 -1.346 -15.672 -8.312 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 -1.994 -1.137 -4.894 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 -11.024 10.196 -6.516 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 1.594 9.936 12.023 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 -0.877 -2.833 0.962 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 -3.071 0.876 -7.841 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 -14.149 -2.511 -0.859 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 -1.501 -1.531 2.710 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 4.222 2.383 -3.670 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 -34.314 -8.418 -17.547 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 0.482 1.556 -5.439 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 6.090 -7.752 18.131 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 30.672 3.766 -14.823 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 3.786 2.787 -0.623 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 -9.661 3.491 -0.951 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 -11.672 11.221 -13.784 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 0.924 3.525 1.022 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 8.617 -16.361 26.863 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 -11.976 -22.742 -8.283 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 0.009 0.984 1.500 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 0.655 7.612 15.189 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 -17.866 6.019 7.351 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 -6.943 0.837 -1.072 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 2.797 2.115 -4.803 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 -17.599 -11.436 11.166 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 -0.956 -0.022 5.488 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 -15.579 39.038 -4.967 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 18.834 -14.539 19.192 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 5.683 -3.003 4.660 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 -12.005 -12.856 7.565 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 10.461 -16.230 14.901 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 4.895 4.558 -7.342 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 0.241 23.890 15.230 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 6.666 14.128 -7.255 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 1.800 1.147 -2.969 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 -1.986 3.684 3.720 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 -28.569 -9.353 -13.309 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 0.662 2.257 0.631 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 12.074 -8.442 -20.384 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 -17.882 2.594 9.712 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 2.548 -5.601 1.015 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 7.312 -3.237 -2.674 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 -25.071 -10.996 30.338 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 -1.542 -1.268 -0.204 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 1.779 4.570 -21.677 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 2.688 -9.473 -14.239 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 8.851 0.371 -0.921 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 3.295 0.062 -6.247 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 13.391 0.486 19.166 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 0.797 -6.557 2.050 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 9.712 -3.736 12.981 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 -14.393 9.017 -9.672 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 -3.531 1.960 2.345 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 1.915 11.927 -12.642 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 -13.713 -17.521 34.200 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 3.366 -1.923 -3.727 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 1.680 13.877 11.195 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 -5.727 1.738 -7.898 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 -0.236 8.450 3.485 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 -4.360 16.963 -3.805 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 11.254 6.895 -0.708 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 4.185 1.645 -6.284 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 15.577 8.849 4.624 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 -2.820 3.493 7.322 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 -1.441 6.495 0.439 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 2.470 11.474 2.541 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 4.647 5.175 -10.163 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 -2.569 1.045 -3.640 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 7.591 -0.281 -15.193 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 -13.676 -6.583 -9.033 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 3.681 1.407 -3.297 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 -9.695 6.636 -0.806 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 13.750 -4.075 0.040 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 3.068 -5.769 -1.790 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 -10.959 9.135 -9.615 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 7.958 32.663 -0.710 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 -1.944 -5.511 1.999 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 -1.995 8.561 -1.204 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 -2.447 9.098 -0.233 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 -0.659 8.498 1.495 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 -16.267 4.022 14.422 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 -5.620 5.634 -16.632 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 3.911 -0.499 -2.845 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 -3.534 -2.261 -15.008 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 8.726 -5.333 4.442 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 1.949 -2.296 -3.651 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 1.291 -2.229 -3.909 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 -3.093 4.278 -5.181 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 1.065 0.487 4.313 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 2.961 -5.405 5.291 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 -4.639 9.597 -8.283 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 1.697 9.846 2.456 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 16.121 1.190 -6.864 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 -13.284 0.645 -4.162 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 2.597 -3.872 1.841 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 7.471 -3.097 -13.106 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 -6.812 16.549 -7.615 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 -2.356 6.332 8.282 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 -5.482 -12.153 -2.665 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 1.539 4.869 -3.175 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 -3.638 3.065 -4.850 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 -2.677 29.532 6.936 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 -3.569 -19.600 7.753 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 5.104 4.061 6.390 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 16.251 10.195 12.302 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 -12.048 7.746 -3.158 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 0.098 -10.165 3.942 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 3.820 -9.070 -4.227 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 -18.009 3.372 9.186 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 -2.321 0.929 5.866 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 -10.516 -6.807 3.344 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 -0.742 19.117 -11.827 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 10.852 -6.387 -3.546 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 -1.177 -12.144 21.580 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 -4.037 26.587 17.590 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 5.050 -4.597 2.553 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 -9.151 -20.920 0.509 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 9.049 -1.023 0.222 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 1.805 -2.417 0.097 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 -1.117 -10.718 -1.206 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 1.216 9.832 -3.061 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 6.207 -9.949 3.177 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 -5.530 -1.076 8.945 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 3.644 5.947 11.317 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 0.621 -0.099 3.346 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 3.219 9.290 10.964 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 -2.958 -20.703 -11.809 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 2.412 4.519 -5.429 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 3.253 6.449 7.354 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 -2.153 4.503 -1.358 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 1.956 3.940 -5.737 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 2.966 -21.767 -12.400 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 6.108 9.879 -5.802 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 -5.950 1.113 1.279 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 7.480 1.554 5.305 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 8.130 -1.224 3.090 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 0.673 6.849 4.068 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 -5.632 -1.298 28.282 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 25.692 14.243 5.925 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 -4.456 1.428 -4.384 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 2.984 -3.138 21.308 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 -9.470 -33.127 2.826 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 -6.320 -2.194 -1.252 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 -14.510 -27.137 -9.612 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 -4.453 2.051 0.451 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 1.788 -1.272 9.003 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 -12.982 9.633 -0.685 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 11.330 -9.133 16.167 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 -5.971 -7.816 -5.097 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 -8.576 -1.103 -5.676 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 -8.494 -0.519 -6.137 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 -4.020 -1.861 0.825 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 2.384 5.873 -7.729 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 -2.970 9.517 -0.811 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 -0.064 4.812 8.677 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 10.226 5.207 17.588 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 1.391 0.263 20.290 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 -2.389 -5.970 -0.691 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 1.965 -6.438 -8.572 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 7.309 -3.737 -5.542 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 5.556 -1.626 -1.643 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 0.388 21.364 12.325 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 0.786 -1.086 11.626 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 -6.192 1.717 1.377 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 16.472 17.899 -4.134 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 -10.782 1.696 -11.127 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 0.889 1.695 3.570 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 21.246 -0.798 -13.519 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 11.253 0.680 -6.129 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 -2.469 3.981 -2.199 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 4.704 5.636 -25.273 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 -9.182 -19.024 2.230 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 7.747 2.577 0.193 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 -7.470 -3.161 11.232 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 -12.455 -4.404 12.904 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 -1.995 -5.781 1.466 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 4.323 -6.889 -4.433 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 -17.232 8.815 12.775 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 0.399 3.136 -4.276 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 -14.176 -15.758 -6.407 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 -18.895 -27.630 -8.896 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 -3.084 -2.841 1.210 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 0.358 -2.642 -17.654 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 -4.741 -3.024 9.811 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 -0.784 -1.180 1.589 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 -11.590 -23.384 25.269 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 -2.265 27.581 12.048 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 -4.497 6.059 2.718 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 -7.187 3.675 1.457 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 -11.323 1.899 9.403 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 5.398 -0.822 6.614 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 2.270 4.318 -1.440 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 -0.519 4.377 9.709 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 0.057 7.815 -5.273 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 4.962 5.232 -3.830 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 -0.339 0.198 -1.500 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 11.178 3.291 0.396 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 12.151 7.414 6.304 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 4.758 -8.584 -4.452 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 1.577 0.215 -3.461 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 2.710 -4.588 -0.312 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 15.428 -2.023 -10.748 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 -4.019 0.547 -2.211 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 -7.808 41.367 -11.126 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 -11.203 12.911 0.264 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 -0.804 -2.737 -1.197 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 2.880 18.871 -11.122 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 17.738 -2.011 16.482 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 3.542 0.873 2.161 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 3.667 2.604 -1.398 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 0.849 -0.477 4.273 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 3.657 -0.188 3.804 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 2.275 -1.180 4.685 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 3.498 -2.126 1.849 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 -2.389 7.809 -1.764 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 -1.599 8.421 -0.743 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 -8.702 5.347 -0.991 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 0.086 -2.765 -5.722 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 -26.430 2.566 51.295 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 -9.146 -4.235 8.030 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 -1.624 5.293 0.633 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 1.810 4.467 5.330 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 4.314 2.242 4.391 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 -4.921 0.257 -1.199 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 25.411 9.916 4.567 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 -12.190 -0.613 -17.119 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 -2.617 -0.857 -1.361 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 5.224 8.701 8.894 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 -17.153 24.877 -13.905 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 0.416 3.241 -6.431 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 -0.780 8.959 13.696 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 -10.584 6.284 -10.102 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 -3.788 3.614 -4.212 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 -7.324 9.421 -1.110 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 1.847 -2.280 -4.601 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 -2.760 0.439 -7.481 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 11.811 -20.250 6.464 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 6.322 35.274 13.656 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 -2.171 -0.960 0.403 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 -8.013 -15.798 -3.753 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 -31.639 -5.368 -2.042 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 6.177 -6.499 2.932 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 -9.704 -5.528 -23.013 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 -15.044 29.657 -7.270 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 -4.321 2.065 -2.817 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 8.168 4.083 -0.209 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 -5.835 6.041 12.123 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 10.253 0.383 -5.257 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 0.024 -9.021 -13.887 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 20.056 9.791 -8.713 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 1.449 -0.676 1.514 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 -0.029 -10.507 -15.610 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 -14.593 -10.709 4.664 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 4.185 -4.908 -2.155 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 21.208 -13.938 15.670 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 23.659 10.458 20.692 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 0.469 -1.779 -4.419 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 22.585 4.567 33.799 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 10.381 -6.209 26.042 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 -6.142 -1.160 2.957 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 -10.194 6.313 -0.649 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 3.566 -4.770 -19.106 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 -3.073 -10.719 -1.392 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 13.461 -27.569 -4.951 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 -10.680 7.264 2.701 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 1.966 3.391 -1.714 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 10.047 16.555 -9.257 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 -5.890 5.763 1.927 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 -0.684 -4.949 -6.227 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 21.551 -4.641 -2.031 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 -6.135 -5.629 5.338 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 0.089 -6.237 1.505 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 2.752 -4.804 1.122 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 3.939 12.980 1.661 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 -1.776 1.979 2.164 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 -5.265 -0.199 -0.913 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 12.898 2.679 17.418 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 -1.186 3.648 -5.308 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 -9.604 -13.686 -17.313 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 -6.061 2.747 -5.948 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 -0.531 -4.282 -4.258 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 8.878 -14.051 12.239 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 2.213 20.774 4.082 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 -1.342 -3.279 -0.330 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 -16.238 1.156 10.853 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 -4.582 -1.128 -10.199 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 0.854 0.505 3.366 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 -3.202 -11.029 -0.405 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 -19.347 17.437 4.744 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 5.548 0.320 -0.770 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 7.417 9.124 3.139 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 16.411 -16.572 -2.161 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 0.499 1.929 -4.272 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 3.898 -5.617 13.591 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 24.136 3.256 -6.801 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 -4.466 -3.971 -4.725 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 10.436 9.767 -6.298 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 -35.200 -27.263 -1.333 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 0.908 1.125 0.081 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 3.934 -15.449 -0.124 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 9.843 -3.973 20.766 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 3.226 -1.872 2.164 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 -8.106 -38.753 -9.911 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 -1.391 28.136 4.053 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 5.479 -2.941 1.138 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 27.415 7.521 -1.665 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 10.760 5.581 1.761 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 -2.760 -1.311 -1.179 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 -20.926 -4.881 -21.097 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 -0.547 -10.916 -7.452 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 1.977 -3.316 -3.088 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 -17.445 3.392 -13.113 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 2.124 -5.909 -15.906 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 -0.943 0.702 -11.722 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 -0.802 -0.590 -0.093 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 22.244 -3.769 2.160 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 -0.736 -5.509 8.875 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 -16.966 -25.570 -4.083 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 3.039 -2.508 10.319 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 -0.215 3.405 -4.890 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 16.198 -7.065 -2.664 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 -7.901 -6.576 3.437 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 4.377 3.004 5.162 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 -10.033 4.052 1.497 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 30.253 -11.654 -0.495 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 -4.609 -1.910 1.002 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 -2.873 0.077 8.174 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 1.359 0.558 4.474 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 3.300 4.356 -1.727 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 -5.179 3.215 14.611 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 4.787 4.766 -6.575 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 -1.408 -4.627 0.511 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 -13.049 -8.174 16.581 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 -10.137 -7.016 15.237 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 -2.914 5.132 0.322 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 -5.628 10.416 6.234 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 -6.177 7.578 11.592 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 -4.846 2.620 7.433 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 2.508 7.842 4.365 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 -14.005 8.191 11.878 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 -3.876 1.666 -8.410 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 -14.577 9.093 7.514 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 -5.833 -1.300 -1.224 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 3.798 0.730 4.564 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 -17.284 19.743 -10.038 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 23.696 -4.811 12.048 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 0.884 1.384 -1.665 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 4.490 1.581 -22.634 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 3.885 -3.438 4.582 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 -5.103 3.651 0.292 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 -6.746 1.293 -8.483 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 -14.279 12.021 17.488 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 -3.805 -0.023 -0.583 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 -4.494 13.085 5.433 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 -8.357 21.501 14.321 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 4.602 0.264 3.146 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 1.617 2.745 1.290 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 -0.527 5.217 -7.525 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 0.506 -0.666 -4.659 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 -28.355 -7.840 5.689 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 25.901 -8.121 1.086 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 -2.687 -4.592 -0.521 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 17.948 -5.956 0.750 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 -14.414 -3.441 -3.870 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 1.713 -1.722 -1.251 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 -8.222 20.080 -12.861 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 7.903 -7.185 7.181 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 -5.452 -5.301 3.679 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 2.623 -18.741 -0.959 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 11.537 -14.631 -23.602 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 0.911 -3.114 0.499 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 1.744 -0.366 2.580 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 2.433 -6.190 0.181 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 -2.246 0.731 4.281 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 3.403 5.378 -12.020 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 -3.249 -0.423 -5.195 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 -0.130 0.111 -0.550 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 14.761 -12.421 -5.713 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 -12.744 -8.947 4.791 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 -5.415 -5.499 1.125 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 -17.941 5.053 -12.729 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 -12.937 2.208 0.116 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 -3.380 2.676 2.674 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 -6.847 -1.570 5.276 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 10.981 14.596 1.827 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 0.862 -5.289 -2.565 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 6.296 -9.516 -3.868 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 0.153 3.877 -0.632 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 -2.274 2.429 -4.090 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 -0.699 -1.146 -15.112 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 16.305 5.457 -12.581 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 -7.577 -7.030 -1.780 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 0.123 -29.409 -5.809 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 -10.055 13.247 9.583 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 0.061 -0.132 8.402 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 1.273 1.587 6.094 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 -4.566 8.120 -11.658 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 -1.630 -0.662 3.402 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 -2.495 -4.548 -2.106 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 6.490 -24.772 2.829 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 -4.359 0.321 -4.699 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 -15.600 11.416 -17.382 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 -8.538 -3.763 8.517 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 -0.598 1.189 -1.303 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 4.100 20.769 -25.562 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 -7.053 -8.346 3.563 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 5.028 6.940 -1.650 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 -7.261 -13.101 -7.229 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 4.209 -32.404 -1.387 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 3.497 -2.791 -2.884 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 -36.694 -8.046 5.397 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 9.176 7.931 -26.051 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 1.081 1.472 0.472 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 4.315 -6.500 6.236 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 -1.691 8.216 4.054 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 3.151 6.912 4.850 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 -3.441 9.376 -2.178 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 4.489 5.322 -0.602 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 2.306 -1.001 0.242 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 17.484 1.006 -4.102 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 -11.417 6.455 13.470 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 -2.136 -2.471 -1.672 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 -13.662 -10.493 -56.115 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 -5.179 2.969 -1.662 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 0.875 4.164 -3.510 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 -10.409 -13.485 7.372 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 1.762 2.053 -5.890 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 1.077 5.485 3.882 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 5.276 27.103 0.772 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 -19.338 1.824 0.422 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 -0.047 2.334 -4.866 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 -2.917 8.528 11.188 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 10.882 -2.416 -2.935 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 -0.782 5.897 2.637 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 12.406 -2.387 -1.709 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 -5.557 4.513 29.719 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 3.945 0.171 2.097 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 11.414 17.572 -0.118 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 6.702 21.066 -0.174 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 0.434 5.540 2.945 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 -2.627 12.901 -3.656 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 2.621 -10.261 13.512 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 2.564 -2.584 -3.124 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 -6.328 -2.447 12.591 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 3.393 -12.694 5.132 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 -4.775 -2.171 2.847 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 -4.598 -9.951 1.613 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 -18.831 -3.894 26.594 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 2.172 -3.093 3.025 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 -0.857 7.247 6.874 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 8.044 -10.242 14.527 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 0.530 4.974 3.718 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 -5.581 35.823 -10.257 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 10.900 4.008 11.570 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 -2.861 1.623 0.335 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 7.593 9.382 -5.676 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 17.956 0.304 -3.035 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 4.436 -1.062 -0.245 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 -0.431 7.374 -7.365 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 15.101 -10.035 -0.308 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 -1.227 -1.968 5.055 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 -9.368 -18.301 -7.383 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 5.885 9.889 12.901 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 6.564 1.216 -7.355 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 8.115 2.557 -8.439 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 3.771 -3.060 2.975 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 1.834 2.414 2.501 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 9.562 -6.670 -14.637 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 -1.728 11.830 6.444 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 3.153 -1.403 -1.772 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 -16.408 16.568 -3.565 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 21.594 -9.908 -4.374 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 -0.738 -3.917 -0.554 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 11.277 -7.283 3.044 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 6.505 -11.917 -12.885 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 -6.683 -2.780 -6.030 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 -7.076 -36.328 34.072 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 -19.532 -9.272 -5.538 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 -3.278 3.195 -2.371 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 18.325 3.166 1.102 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 9.772 -2.266 9.703 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 6.904 3.399 -4.055 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 13.562 11.879 -6.649 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 1.907 6.195 -1.693 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 1.306 2.956 -5.538 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 -5.669 1.013 -12.399 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 8.136 -0.301 -1.816 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 -1.122 1.512 3.473 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 -0.819 -7.506 -8.610 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 14.971 -12.231 24.914 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 0.073 4.031 0.098 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 -13.051 6.380 0.081 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 4.285 13.260 -4.212 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 -2.415 -4.436 -3.453 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 -2.728 -41.689 -5.228 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 -1.539 -34.092 0.765 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 -5.872 1.484 -1.570 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 -21.532 -16.600 -24.853 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 3.350 2.588 13.066 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 -4.067 1.787 -5.326 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 7.731 -14.543 -11.838 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 0.145 20.228 -1.728 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 1.091 -0.759 9.141 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 -2.873 -19.308 -11.200 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 0.809 2.313 15.827 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 0.450 0.957 1.668 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 12.127 -12.203 -9.274 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 -15.893 -8.739 9.195 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 -0.544 -1.198 4.127 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 -27.743 3.079 16.321 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 -26.912 3.620 16.311 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 0.673 -1.989 2.011 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 -20.513 6.395 10.023 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 -4.321 1.635 -0.605 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 2.731 -1.130 0.173 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 10.965 -21.083 2.333 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 -14.911 -1.032 3.589 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 -12.059 1.828 4.529 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 4.391 4.073 -1.305 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 -23.678 -6.796 4.092 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 0.555 1.335 -2.786 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 -9.637 -4.361 -16.826 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 -9.196 -2.937 10.812 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 -8.694 -1.400 -3.562 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 -15.581 -9.055 -12.091 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 -4.143 8.738 2.970 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 -0.747 2.997 -1.709 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 -3.828 -9.430 8.744 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 -1.553 -3.867 -17.793 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 2.511 3.820 -3.370 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 -4.364 3.235 -11.042 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 4.081 -0.998 -4.376 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 2.776 1.695 -1.285 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 5.620 -4.604 -21.293 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 8.512 -3.410 -24.654 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 -3.862 3.983 -1.941 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 1.591 14.160 10.716 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 15.536 -14.740 3.624 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 -1.166 -1.413 0.404 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 9.992 -20.668 -8.747 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 2.569 2.743 -3.289 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 2.607 -1.894 -7.619 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 15.318 -26.778 13.692 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 -13.464 6.343 -28.870 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 5.549 5.415 2.352 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 -7.908 -2.495 5.267 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 3.137 12.459 -6.606 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 -2.127 5.803 5.176 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 -5.770 8.259 15.100 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 -0.527 3.256 2.190 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 3.565 3.084 -7.412 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 14.351 1.809 17.769 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 -1.380 0.904 10.089 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 -0.486 6.532 -1.651 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 -1.541 5.778 23.339 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 6.583 11.531 5.137 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 -1.253 -2.368 -2.955 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 -5.990 4.964 2.903 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 10.844 -0.183 6.045 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 4.591 -1.112 -2.077 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 -7.063 -19.812 0.353 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 3.619 -1.887 -1.175 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 -0.669 -5.108 -3.124 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 -6.538 -4.704 -3.058 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 1.835 -3.268 -9.429 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 -2.973 -1.650 -2.138 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 6.472 -9.536 -8.385 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 -5.603 0.783 1.309 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 -0.832 4.626 6.237 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 9.484 27.596 -1.023 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 -5.402 0.326 -20.152 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 -5.254 -1.056 8.915 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 -21.494 -5.160 -6.725 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 10.634 3.253 -5.323 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 2.178 -4.157 -3.034 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 5.736 -3.819 -21.074 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 -6.826 -4.408 1.182 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 3.854 1.197 2.035 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 -1.148 -9.824 0.395 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 5.478 2.620 4.382 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 4.624 3.157 0.123 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 -9.233 -23.600 0.996 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 12.762 -6.783 8.895 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 2.721 2.107 -4.574 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 1.370 2.173 3.818 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 5.394 1.663 -16.915 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 3.828 -3.158 0.432 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 7.107 -1.023 -1.552 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 14.100 3.064 1.882 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 -2.674 -0.034 2.973 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 -6.094 7.721 1.372 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 -1.967 2.755 7.488 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 5.190 0.333 -2.022 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 6.493 28.131 0.347 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 0.313 -3.282 -12.756 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 -1.230 -0.940 4.462 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 -14.237 -3.297 -7.210 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 -4.177 15.652 12.506 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 -0.540 1.220 -0.624 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 26.342 2.747 2.811 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 20.623 2.844 1.928 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 3.027 2.126 -0.554 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 -13.780 9.108 3.062 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 -0.844 1.166 -12.671 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 1.928 -1.934 -6.843 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 -3.909 6.249 -6.025 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 -2.134 -5.519 -14.939 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 1.211 0.513 0.049 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 2.449 -8.659 -2.378 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 8.575 9.634 9.374 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 -2.245 4.581 0.385 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 -7.870 14.395 -6.723 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 -5.791 7.593 -3.734 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 -5.273 5.729 -2.777 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 -8.130 2.748 -3.327 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 -2.071 9.418 -4.489 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 4.097 1.604 5.757 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 -4.415 -2.536 15.053 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 -0.025 -21.490 -16.468 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 -1.741 -5.509 -2.373 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 10.143 -18.975 16.401 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 13.842 -5.077 -23.795 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 2.184 -3.318 2.148 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 -1.783 5.339 5.718 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 8.631 -4.707 9.075 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 -2.783 -0.130 -2.110 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 4.049 0.974 -1.873 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 -13.990 -4.727 -23.970 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 0.146 -4.885 2.690 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 2.164 6.053 -1.735 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 -9.812 3.064 -26.865 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 5.951 5.352 3.000 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 3.278 -11.975 15.645 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 -10.168 8.260 7.861 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 0.418 -4.096 3.251 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 1.785 12.921 -10.834 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 -32.672 -28.140 18.074 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 1.893 -4.056 -0.072 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 10.598 -10.458 9.895 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 -1.817 -5.276 -1.433 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 5.011 2.124 -3.020 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 -13.016 -29.273 -20.029 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 16.317 -3.139 -27.565 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 -4.681 -6.145 0.648 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 0.556 -23.735 17.238 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 -2.884 -6.284 2.880 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 -0.194 -0.498 -3.403 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -2.532 -1.274 -1.487 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 -14.836 -5.473 31.211 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 -0.752 2.897 1.395 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 -20.013 -16.433 -22.629 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 5.726 1.952 7.281 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 3.548 2.350 -1.576 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 20.521 -4.988 4.953 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 20.889 -10.192 0.051 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 -6.750 2.477 -1.048 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 -19.406 2.318 -7.174 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 -9.750 2.068 2.518 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 -3.751 -1.070 1.108 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 18.737 -10.253 -2.012 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 -5.623 -6.342 -4.148 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 4.694 -5.663 0.634 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 3.913 -9.975 1.936 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 1.842 -1.296 0.598 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 -7.420 1.459 2.117 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 -20.797 -36.847 10.697 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 5.871 22.724 -3.476 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 1.054 -5.105 6.003 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 -5.189 -2.887 8.971 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 26.257 -11.838 -44.295 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 -8.941 3.354 0.229 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 -2.365 1.444 8.321 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 -25.577 7.738 -21.318 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 0.004 1.654 3.042 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 0.527 7.285 5.291 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 0.781 5.723 3.268 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 -1.048 -2.317 4.448 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 -12.310 0.519 0.299 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 24.516 1.134 26.894 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 -1.586 -4.012 -4.156 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 -10.734 6.145 -2.855 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 1.062 3.509 4.902 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 -2.342 5.676 -1.050 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 36.039 15.587 -7.076 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 -26.908 -6.792 13.867 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 -5.013 1.609 0.991 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 -4.415 1.246 6.018 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 -2.402 1.418 9.310 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 -5.415 0.683 -8.467 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 -16.399 -15.616 -3.069 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 -24.453 -9.388 8.241 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 -7.743 -1.122 6.936 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 -12.696 0.931 4.407 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 -0.809 -0.641 6.372 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 7.901 -3.405 4.140 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 5.808 3.900 5.930 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 10.990 -17.030 -5.175 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 5.962 -0.256 -8.236 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 9.976 6.877 -0.400 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 -11.338 11.900 -26.401 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 -0.825 10.063 0.707 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 10.124 6.864 9.854 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 -12.853 -12.588 -14.157 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 -4.109 0.323 -0.976 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 -10.574 7.281 -1.663 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 -12.512 14.453 -0.313 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 1.624 3.662 1.620 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 -9.732 6.200 4.216 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 -1.538 4.031 4.833 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 -1.950 -7.769 -2.318 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 -4.591 -11.296 0.377 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 0.184 2.670 -6.542 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 -3.809 -1.964 0.202 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 -34.565 8.896 -10.710 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 -0.880 0.802 -2.079 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 -0.650 -3.595 -2.573 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 27.223 -9.975 -9.111 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 10.584 -6.591 -5.893 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 5.781 -5.007 5.149 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 4.535 -28.552 21.281 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 10.052 1.275 3.549 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 5.135 1.037 1.939 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 -23.586 24.806 21.409 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 -12.192 10.653 -11.554 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 3.363 -8.505 1.817 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 2.807 -18.512 -4.622 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 -13.479 -7.349 3.812 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 -9.318 9.303 -4.934 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 4.990 29.847 22.993 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 4.334 -0.529 11.211 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 1.083 4.573 -4.966 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 4.551 13.387 10.176 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 -14.609 10.032 -11.717 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 2.537 6.665 0.599 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 -3.458 10.622 -5.358 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 -0.970 -1.244 5.367 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 12.368 3.061 5.313 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 -5.018 4.400 1.975 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 12.528 4.878 -16.035 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 -3.718 -3.085 1.198 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 -14.702 -0.309 -1.951 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 -10.506 -1.432 -4.836 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 2.534 0.460 5.517 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 1.292 -1.780 5.848 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 4.270 1.678 5.660 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 1.241 0.743 -4.777 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 -5.088 4.560 -12.986 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 0.988 36.370 10.078 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 1.658 -5.931 2.426 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 7.818 -1.930 6.398 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 2.578 -1.910 -6.000 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 4.934 -7.297 1.070 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 34.930 -7.229 -21.694 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 -4.461 -8.362 8.228 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 8.519 -3.251 5.919 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 8.469 -3.715 6.184 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 15.092 20.024 -9.744 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 -5.046 1.447 -1.650 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 5.887 2.360 10.582 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 14.691 -15.097 0.075 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 -0.952 -1.214 2.096 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 4.724 -1.423 9.249 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 1.228 4.591 -3.418 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 1.363 -0.839 -5.849 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 1.855 -10.173 -14.895 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 -0.744 -7.262 9.145 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 5.283 -0.122 -1.241 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 9.242 14.047 -0.848 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 9.320 -8.567 12.673 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -5.985 2.246 -4.502 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 -19.815 -7.660 -26.749 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 14.105 -19.613 2.506 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 5.146 6.421 3.481 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 7.783 -11.737 -14.677 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 -6.353 -11.487 6.028 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 -0.602 -0.179 -4.275 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 -22.695 -3.015 -25.402 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 -6.880 -5.204 -3.424 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 -2.391 -1.984 2.593 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 4.354 39.321 -9.845 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 -11.498 -11.560 3.678 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 -7.397 -2.375 -2.115 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 6.614 -12.991 -17.627 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 -18.448 9.123 11.137 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 -0.694 -4.335 0.262 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -14.902 -8.459 4.258 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 3.482 -9.430 -19.210 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 1.138 5.595 0.869 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 6.233 -16.071 14.863 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 5.464 5.605 6.786 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 1.136 -3.778 1.708 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 12.109 -19.794 6.335 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 14.372 -7.531 -18.479 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 -9.235 -1.482 -2.449 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 -0.539 -4.284 3.385 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 4.290 9.260 8.123 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 -1.867 -4.373 -4.845 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 -4.815 15.156 -7.045 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 -3.154 29.603 -5.762 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 -2.722 -2.403 -2.405 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 1.534 5.309 -7.861 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 -3.001 2.322 -28.201 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 4.930 -1.058 -2.179 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 7.516 -2.007 -5.567 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 8.883 1.666 -2.708 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 1.256 3.248 -3.411 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 18.381 -0.103 -8.128 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 16.815 1.017 -0.828 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 1.431 4.828 0.730 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 -2.042 2.121 21.912 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 -2.541 0.856 9.727 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 -2.303 -2.350 -4.001 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 23.300 18.475 3.821 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 19.817 -16.042 8.134 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 -7.401 3.008 -4.274 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 -9.684 -12.477 -11.999 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 -4.003 5.092 -1.123 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 -0.842 4.186 -1.720 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 -9.199 8.815 3.164 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 -1.067 -0.124 -3.340 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 0.889 -2.442 2.215 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 9.929 -20.708 7.447 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 13.965 1.919 21.820 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 -1.665 -3.221 -3.855 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 -2.715 -8.321 2.629 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 -4.332 -11.607 11.515 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 1.108 -2.544 -0.511 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 -1.231 -8.941 5.350 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 -3.545 -5.326 -8.298 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 -3.700 -1.807 3.051 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 10.501 -3.132 -9.759 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 21.144 -5.696 3.828 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 -4.322 0.082 -5.514 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 -5.206 -6.535 0.590 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 -2.469 -14.285 22.581 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 -5.573 1.795 6.233 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 -4.140 1.006 5.367 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 -6.480 4.402 6.405 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 -0.693 2.888 -0.833 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 8.061 21.797 20.401 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 -28.395 -12.067 -11.513 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 5.343 -2.733 -5.654 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 1.574 15.950 -8.890 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 -1.503 5.726 -30.568 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 -4.171 -1.418 4.104 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -11.296 2.618 -6.333 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 -10.805 -9.718 -8.797 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 3.164 -0.789 5.232 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 22.452 -8.173 -5.838 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 -8.386 0.831 9.482 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 6.374 -3.630 1.675 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 10.068 0.306 5.168 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 5.129 -6.934 0.367 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 0.363 3.989 -0.241 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 -6.297 5.226 -12.394 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 -2.098 20.107 -11.570 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 -7.821 -2.054 5.623 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 0.392 -11.643 -7.288 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 12.833 18.259 13.861 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 -3.731 -0.877 1.846 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 -10.745 -1.027 2.727 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 -17.463 14.755 -20.119 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 1.307 2.654 0.975 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 7.104 -16.585 -7.880 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 -15.014 -0.815 10.201 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 2.715 -0.786 1.782 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -23.151 -0.980 -0.642 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 11.149 13.762 -25.479 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 -1.080 -2.784 -2.210 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 7.825 4.070 14.625 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 13.693 -4.715 -16.729 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 0.929 -3.753 0.407 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 8.672 -5.982 4.216 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 15.269 5.842 8.616 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 4.560 -2.302 1.128 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 5.608 -0.159 -0.623 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 7.641 -8.510 3.777 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 7.114 4.855 1.154 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 10.216 -5.853 1.312 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 -10.869 8.225 -9.579 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 -3.956 3.776 5.819 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 11.411 -1.256 23.793 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 -28.453 9.744 17.582 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 0.475 2.391 5.501 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 -3.298 -2.467 25.817 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 10.383 17.416 -8.512 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 3.017 -3.965 0.719 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -4.526 -11.277 9.012 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 -1.332 -9.616 -4.856 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 3.002 -1.413 1.899 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 19.525 10.730 -3.785 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 -6.046 -6.004 22.168 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 1.235 1.339 -8.330 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 -1.461 9.098 -0.757 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 -20.953 -2.696 -13.298 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 -9.800 -5.918 -1.792 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 7.824 15.441 -5.273 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 -23.196 -2.586 14.579 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 2.530 -2.508 3.601 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 -2.315 0.778 6.789 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 19.159 -18.588 -13.652 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 -2.958 3.565 1.040 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 -3.192 4.798 0.666 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 0.175 2.176 7.182 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 5.290 2.283 -5.920 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 35.971 -18.718 -7.910 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 -3.966 26.735 -11.442 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 2.165 4.137 5.641 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 21.560 2.933 13.217 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 10.094 -15.262 -0.028 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 -2.816 -5.720 -0.158 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 6.812 4.357 2.761 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 -3.639 -7.567 -0.537 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 -4.223 -1.915 -0.267 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 -16.481 -2.912 -7.596 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 12.411 -5.264 7.482 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 2.907 5.517 2.463 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 -17.727 -9.865 0.972 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 -5.687 8.680 -0.469 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 3.275 4.050 6.618 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 10.668 0.007 12.157 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 -5.244 -2.786 -3.579 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 8.737 3.885 0.594 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 -15.172 6.189 6.879 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 7.768 4.392 4.453 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 -2.786 -8.187 -0.002 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 3.692 6.079 -7.059 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 11.394 -2.716 -6.993 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 -7.801 -1.948 0.708 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 -1.044 -2.195 5.379 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 3.137 -6.265 18.079 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 -1.030 0.486 4.625 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 3.648 -0.576 4.535 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 23.013 1.302 6.139 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 0.886 -2.413 -1.693 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 19.627 -8.586 8.927 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 -17.750 7.545 8.780 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 -5.985 -0.672 -6.589 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 23.400 15.828 12.855 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 -30.435 12.532 24.341 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 -1.965 2.327 2.797 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 -7.189 18.348 16.051 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 -4.334 6.152 5.711 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 -1.773 0.556 0.574 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 14.474 -5.621 -5.818 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 -6.472 -10.323 -3.064 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 -0.838 0.579 -5.293 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 -12.124 -21.020 -15.938 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 14.110 11.558 19.312 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 2.134 -2.916 -5.032 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 10.031 12.989 0.719 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 -9.404 -26.655 23.130 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 0.664 -1.286 -4.081 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 -7.750 -2.611 7.946 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 9.956 -11.508 -16.713 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 1.256 4.299 0.452 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 1.039 -4.680 2.958 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 -4.644 10.236 -15.647 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 -2.093 -1.125 -0.242 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 6.037 -16.970 3.050 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 3.311 -12.862 3.001 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 1.365 2.208 1.228 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 2.134 -8.272 7.999 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 3.418 9.193 -5.712 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 -3.008 4.243 -4.342 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 16.788 -6.577 -7.401 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 -12.086 -7.679 9.382 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -7.102 4.629 -6.293 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 -4.154 -6.156 -9.514 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 -0.606 -6.862 -14.261 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 0.794 6.640 -3.657 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 2.148 -4.900 -0.193 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 -27.606 27.696 22.241 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 9.528 4.094 3.897 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 -12.320 13.884 6.578 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 10.818 11.297 -5.340 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 -3.069 -0.599 6.693 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 -15.470 -13.630 -3.112 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 10.671 -17.077 6.581 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 7.185 1.689 5.369 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 -18.043 7.000 13.114 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 -3.308 -7.126 15.400 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 1.283 -1.487 -2.553 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 10.566 -1.638 -18.697 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 16.074 12.743 -3.039 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 2.737 8.437 -0.808 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 9.224 10.871 -1.526 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 10.517 13.380 15.481 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 -3.352 3.506 -0.011 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 13.831 -2.892 15.618 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 16.207 4.284 -10.465 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 9.005 2.298 -2.162 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 -15.372 11.152 8.309 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 16.793 18.700 7.970 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 -0.016 3.423 -3.243 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 -1.509 -12.102 -6.317 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 12.876 11.605 8.394 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 2.585 -3.554 -1.002 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 -8.497 -3.535 2.320 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 -2.567 -3.295 -15.996 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 1.620 -0.903 -2.726 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 -0.844 4.833 7.710 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 5.734 -8.725 -12.623 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 4.226 -1.689 2.022 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 15.632 -5.170 -1.214 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 23.212 -7.008 -3.498 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 -0.140 -2.270 4.742 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 -11.749 -10.109 1.846 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 -2.560 -3.440 7.288 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 7.378 2.576 3.917 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 4.909 10.661 1.635 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 11.778 -10.232 6.842 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 -3.729 -1.970 -0.342 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 -12.326 2.022 12.851 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 -8.973 2.775 4.140 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 -0.908 -4.224 2.510 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 4.771 -12.159 16.778 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 12.548 3.959 -12.501 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 -3.831 -5.093 -7.301 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 -11.638 -1.823 6.011 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 3.783 6.313 -3.498 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 -3.912 2.169 -3.219 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -8.915 -11.020 -13.182 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 24.160 -0.493 17.671 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 4.163 1.575 -3.592 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 10.916 5.810 3.992 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 -3.100 11.787 -22.468 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 2.609 -2.737 -2.361 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 10.354 -0.303 1.647 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 18.583 9.046 -7.398 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 1.465 -0.939 2.229 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 -23.706 -2.203 4.377 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 -1.234 -15.630 7.147 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 -1.640 -1.172 0.559 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 -5.330 -2.473 5.286 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 -4.833 -1.320 2.303 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 -1.258 -4.278 0.825 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 13.498 6.272 -3.791 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 12.802 1.589 -9.798 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 -3.335 -4.933 3.738 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 -8.627 -0.670 4.446 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 8.757 3.216 -2.811 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 -9.283 0.797 3.067 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 -8.120 -0.291 10.405 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 -15.563 0.911 -34.701 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 -1.940 0.331 4.051 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 0.745 -8.370 -1.068 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 -1.036 15.752 11.578 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 -1.152 3.110 -9.655 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 19.477 7.631 -12.820 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 -5.839 -0.078 -9.527 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 -0.542 2.242 0.527 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 -2.337 5.713 -8.564 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 4.316 -4.586 2.055 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 3.291 3.334 -3.765 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 22.382 9.213 27.731 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 5.847 -14.134 -6.896 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 -6.330 -1.925 0.563 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 -5.398 -2.769 -6.388 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 -7.366 -3.076 4.349 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 -5.304 8.343 -4.446 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 0.739 7.134 36.540 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 -4.841 -5.870 -40.501 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 3.324 -3.925 2.262 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 21.719 -6.445 22.182 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 5.769 3.566 -2.348 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 0.556 2.209 -1.802 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 -22.851 3.972 -1.050 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 11.172 8.802 1.769 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 2.413 -8.347 2.304 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 -6.733 -9.145 13.238 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 -4.161 -10.575 5.543 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 5.254 -3.770 -0.181 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 3.255 -2.704 -13.224 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 -8.265 -7.078 9.755 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 3.015 -2.496 -0.551 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 -15.275 -3.657 21.525 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 14.965 -0.110 -4.704 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 -4.013 -1.003 -1.280 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 -13.014 1.354 16.321 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 -1.902 -2.658 -5.410 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 7.296 -1.122 4.635 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 18.041 -6.377 6.594 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 6.564 2.730 -1.966 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 -0.029 2.926 -3.253 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 -5.097 3.491 -5.240 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 3.712 -0.727 -2.533 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -1.621 1.462 0.005 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 -1.005 -7.273 -7.868 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 6.956 -0.733 -10.935 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 3.855 2.124 2.065 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 12.188 -21.267 -13.997 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 -5.790 19.998 -17.396 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 -1.015 -2.022 5.871 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 -17.272 12.404 1.788 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 7.222 -6.385 11.040 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 -3.874 -6.138 0.511 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 5.636 12.174 2.051 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 -9.754 -5.021 20.125 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 1.382 -1.333 8.865 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 -0.216 15.398 11.850 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 6.036 -25.399 1.383 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 -0.288 4.650 12.016 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 -9.703 13.963 10.887 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 3.403 3.136 12.091 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 0.150 -5.911 0.027 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 -9.805 4.499 6.728 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 -9.544 -15.846 1.893 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 -1.210 -3.428 2.815 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 9.053 -29.572 -24.063 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 -15.915 -6.840 39.651 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 0.833 3.171 0.628 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 -5.320 -2.780 4.188 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 14.935 -6.870 -9.153 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 -1.268 3.594 2.025 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 -1.204 0.193 -0.026 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 37.408 10.091 17.010 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 8.634 4.588 4.734 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 1.778 6.837 8.773 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 21.181 3.712 -2.278 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 -1.487 -5.717 6.416 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 9.285 -2.755 12.776 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 3.584 -11.141 -3.286 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 2.302 -5.704 5.163 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 8.256 -2.507 -1.549 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 2.521 -6.585 5.791 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 -5.367 -4.898 -1.358 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 -6.085 -3.063 -0.228 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 -8.252 3.730 8.967 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 1.007 -3.437 1.877 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 -3.360 -11.700 11.587 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 2.001 -0.870 -0.944 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 -1.393 -2.628 4.662 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 7.613 -10.133 23.706 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 -9.237 -23.262 3.995 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 -0.063 3.466 0.820 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 -2.313 -11.209 1.317 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 -1.259 -8.430 0.605 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 1.934 -3.335 0.382 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 0.368 -11.079 -3.196 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 5.826 23.337 10.786 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 9.376 -2.552 -0.151 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 2.806 1.138 -4.172 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 13.216 -3.386 11.986 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 1.479 0.921 -2.590 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 8.532 12.654 15.436 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 4.764 13.646 -15.259 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 -0.072 -1.573 3.833 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 -1.052 3.400 -0.577 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 -12.169 13.444 -7.167 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 -1.526 1.477 0.228 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 1.754 0.710 -0.060 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 0.947 1.222 0.221 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 1.853 -3.132 2.170 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 -4.225 4.482 12.716 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 4.775 -8.746 -3.747 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 3.908 -0.201 -6.823 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 -0.892 4.280 16.551 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 -22.225 1.155 -11.640 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 3.184 -0.565 0.776 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 3.577 -2.152 -5.361 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 6.054 -8.588 3.987 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 -1.650 -3.810 -1.543 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 0.770 -9.785 -13.673 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 -21.891 -12.211 16.443 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 -0.388 -1.762 -2.872 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 -1.483 -2.190 10.012 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 -3.598 1.705 -1.280 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 9.338 -5.099 2.658 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 5.657 -4.193 -2.914 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 -2.134 9.145 16.547 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 -2.478 -4.239 2.075 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 -2.967 -11.034 7.125 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 -10.361 0.178 3.005 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 1.572 -4.733 -7.180 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 3.770 -6.631 2.932 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 6.038 -8.792 -5.363 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 -0.831 -1.203 8.662 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 -22.483 -26.382 9.003 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 1.412 -5.387 1.335 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 -3.529 1.765 1.604 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 -7.563 4.239 6.900 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 -4.759 -1.449 -1.884 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 4.772 -1.177 -0.215 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 15.112 -5.329 -16.453 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 8.505 14.302 -6.458 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 8.024 -6.507 7.184 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 -11.539 20.627 2.595 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 -7.103 21.429 -5.175 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 -4.776 2.374 -3.732 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 -3.984 -4.060 -10.380 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 -8.489 8.431 -9.268 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 8.396 1.207 2.825 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 -0.576 4.322 2.939 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 11.876 27.339 11.558 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 5.711 5.967 3.474 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 -18.228 -10.284 7.722 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 7.707 7.300 -17.656 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 3.665 3.685 2.462 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 8.987 -1.995 -11.040 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 13.838 -1.469 8.624 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 -2.900 1.174 -7.115 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 -4.634 1.150 -5.651 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 -5.074 1.381 -5.167 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 -7.017 4.874 0.630 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 -2.480 -9.502 -24.283 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 20.339 4.602 9.452 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 -0.015 4.307 -1.875 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 -5.724 18.259 -9.180 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 -6.074 -19.288 0.418 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 2.207 6.600 -2.912 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 -3.288 11.661 -6.807 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 -10.649 7.843 8.121 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 1.402 3.315 1.841 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 2.311 -1.333 -2.766 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 -2.115 -0.407 12.118 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 0.190 -6.452 6.126 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 -5.569 -32.787 19.224 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 -16.703 11.894 -11.916 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 4.199 -4.162 -3.413 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 5.626 -9.221 1.124 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 2.443 -8.643 -9.226 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 -0.643 1.547 4.852 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 -10.940 3.876 9.057 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 3.392 1.913 -0.604 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 4.657 -7.651 -1.484 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 4.465 -0.227 -4.618 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 19.816 -1.958 -6.875 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 -1.364 1.935 -2.478 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 12.753 22.538 6.000 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 11.731 -7.084 4.188 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 -0.015 -3.361 -2.852 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 6.378 2.169 3.942 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 5.188 17.241 24.242 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 -2.120 -5.989 4.528 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 -13.981 -6.783 3.977 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 -1.958 -9.985 0.078 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 -2.746 1.233 3.743 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 -7.162 -9.796 19.081 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 24.909 1.254 8.422 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 -3.158 -2.290 0.824 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 -3.523 -1.674 0.035 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 0.082 4.368 -5.768 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 4.111 1.284 -4.972 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 -13.467 4.677 9.641 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 29.278 -0.226 -17.104 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 6.838 -4.252 2.116 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 -3.767 6.045 0.166 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 18.925 -7.115 -9.638 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 1.822 8.255 -3.299 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 21.383 13.199 -14.374 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 3.504 13.189 9.237 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 2.418 8.459 -2.532 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 7.416 10.175 -9.490 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 2.928 8.392 -0.654 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 4.697 1.022 -0.590 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 18.012 -23.796 -5.818 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 -16.203 -2.590 8.097 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 -6.483 -7.680 0.158 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 4.414 -1.596 21.122 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 -21.023 10.811 -4.647 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 0.469 -1.088 -2.285 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 -26.981 4.470 22.803 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 -11.400 -1.968 14.543 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 4.869 0.494 -6.281 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 3.887 8.234 -8.612 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 -5.452 -11.859 -19.331 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 1.226 6.793 -0.022 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 4.453 17.870 1.621 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 -11.437 -14.417 2.537 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 0.407 -0.098 -0.563 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 6.998 2.734 16.535 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 12.721 -18.846 -17.754 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 3.666 -1.697 2.072 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 13.028 12.270 -9.579 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 -13.759 14.576 7.311 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 2.449 -0.981 0.184 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 2.642 8.307 8.396 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 16.142 -14.208 12.513 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 -2.628 5.169 9.195 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 7.483 -2.874 4.548 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 13.165 -2.962 9.192 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 -2.522 0.858 3.619 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 -5.336 18.269 -2.976 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 3.965 -1.766 -25.166 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 3.606 -2.658 -0.335 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 4.966 0.100 13.937 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 1.605 -4.135 -18.568 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 -0.640 1.651 -1.521 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 -2.610 -1.291 -1.894 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 -6.644 -5.200 -4.162 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 0.548 3.736 2.065 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 0.392 3.873 -4.737 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 6.950 -3.773 -10.815 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 3.218 -1.376 -2.027 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 11.076 1.516 -14.526 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 1.683 -4.617 -8.576 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 1.824 -0.199 0.975 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 3.163 -9.741 -7.750 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 2.280 1.443 6.450 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 0.151 -1.381 1.017 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 -6.796 -11.219 -5.301 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 -19.710 3.039 1.585 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 -1.123 -3.410 -2.146 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 -8.922 4.176 9.794 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 6.831 26.403 -5.787 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 6.222 1.699 1.371 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 21.537 27.608 -15.073 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 3.108 -29.659 19.534 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 0.049 -2.691 5.015 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 -2.973 -26.100 -2.477 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 5.043 -22.383 25.304 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 2.349 -0.640 -9.329 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 3.647 9.920 -4.782 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 0.673 -1.986 -26.459 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 -0.715 -3.735 1.755 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 -4.870 -2.969 9.530 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 -3.705 -9.395 -2.501 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 4.366 1.017 -0.798 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 -6.291 -11.301 -1.280 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 -6.128 -9.088 1.713 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 -0.047 0.883 -2.387 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 -13.968 -2.525 -10.475 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 2.159 -5.117 11.330 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 0.309 -3.337 -6.839 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 3.814 0.223 -8.669 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 1.326 7.248 -14.920 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 -7.381 -6.701 0.079 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 18.557 -1.141 0.243 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 14.566 -9.063 3.586 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 4.473 -0.293 3.346 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 3.326 -0.105 0.108 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 10.851 -7.758 -5.168 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 -3.187 -1.169 -3.624 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 6.580 -18.459 -12.591 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 15.343 -5.471 5.767 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 -4.641 8.452 0.242 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 -4.493 3.367 1.409 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 -3.578 26.340 -3.253 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 5.933 -5.838 3.100 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 -15.011 2.776 25.210 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 -17.777 -13.369 0.022 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 -3.842 -5.250 5.637 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 -12.437 6.800 -1.409 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 9.132 -12.649 0.352 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 -6.812 2.101 0.160 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 12.181 17.204 -8.759 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 -9.728 6.381 -1.190 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 3.100 1.274 -1.446 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 6.005 -1.874 -16.610 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 -3.299 8.148 30.488 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 -6.222 -5.994 -5.535 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 -9.556 -35.193 -6.036 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 14.237 3.876 14.286 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 -0.352 -1.562 -5.131 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 -25.055 -32.650 11.147 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 -3.158 16.120 1.038 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 -6.582 3.535 4.939 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 -16.865 6.900 -14.405 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 2.014 6.743 8.007 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 3.492 8.292 -0.907 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 -26.743 -26.442 -12.765 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 -16.302 30.130 17.677 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 -1.172 -2.115 -1.594 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 -17.083 4.905 11.710 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 5.735 7.243 26.776 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 3.294 3.450 -1.718 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 -13.756 9.551 -3.786 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 2.886 -14.261 19.278 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 -2.513 8.976 0.666 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 9.459 21.004 2.310 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 -11.307 24.569 0.762 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 -1.183 3.968 -0.849 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 -3.687 9.385 -0.941 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 -1.724 0.530 -0.304 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 3.606 -6.626 4.759 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 9.562 -14.611 4.581 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 -5.252 28.327 -2.823 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 6.824 5.683 -3.427 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 0.286 23.778 -14.516 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 -0.671 2.719 -12.468 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 4.407 -0.499 3.305 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 -10.731 -7.870 -9.128 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 2.656 5.304 6.892 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 -3.653 3.977 -1.672 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 22.700 -4.945 -16.093 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 0.073 1.116 -3.174 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 4.218 -3.936 -4.341 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 -0.163 -17.428 -8.546 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 10.059 -17.255 -10.031 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 2.399 -4.542 -3.991 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 6.954 -0.759 -8.335 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 2.292 5.101 1.156 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 0.128 -1.836 3.700 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 -15.523 -18.416 -8.484 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 16.124 -15.825 18.994 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 6.099 0.633 -0.870 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 8.593 -9.619 5.392 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 19.061 5.546 -5.592 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 6.333 0.624 -4.260 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 6.328 2.487 -3.100 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 9.274 -10.367 -10.075 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 -2.729 -5.364 -5.927 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 8.517 26.296 15.554 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 -9.827 -24.771 -18.907 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 2.600 -4.244 -0.698 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 -1.148 -0.608 12.773 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 11.534 -7.589 -8.588 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 -2.073 -2.468 -0.858 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 0.238 -14.250 9.125 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 -2.598 -15.478 13.053 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 -1.514 4.358 -0.168 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 -18.756 -3.221 3.387 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 -13.418 -1.018 2.327 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 -1.152 -5.155 -1.351 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 10.270 -10.744 13.834 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 -8.892 12.475 15.028 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 -0.217 -2.762 -2.826 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 -1.391 -2.240 2.073 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 -0.346 2.066 -6.208 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 -2.145 -2.709 2.619 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 -5.205 4.779 -3.559 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 -4.567 4.302 -3.162 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 3.011 5.191 -7.066 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 15.373 11.316 4.636 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 9.843 3.128 -12.456 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 -9.987 2.565 0.035 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 -6.402 3.764 -6.483 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 -10.084 0.254 18.228 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 1.447 1.265 -1.335 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 -6.224 -1.283 -7.483 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 -2.790 -1.731 -12.727 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 -2.792 -3.558 -1.333 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 -5.635 -10.975 -28.056 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 -11.308 2.954 0.991 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 1.271 -5.612 5.403 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 7.527 -8.837 18.512 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 -12.179 -8.380 10.276 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 -5.628 -2.128 1.337 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 -7.461 -10.324 -4.512 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 3.304 -2.006 6.595 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 -5.576 -4.982 1.547 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 -5.082 -6.051 -3.300 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 -7.326 3.514 0.839 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 -5.978 -0.950 7.518 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 12.661 15.765 -11.147 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 -7.185 -11.424 10.074 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 -5.970 0.098 0.944 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 -12.030 16.516 -2.162 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 15.463 2.506 -7.392 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 -0.865 -0.879 7.921 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 2.961 21.280 35.359 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 -21.483 16.630 -18.522 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 -0.664 -1.167 -2.567 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 25.367 1.818 -28.905 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 -13.011 4.272 -4.445 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 -1.162 -4.204 -6.202 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 6.259 -1.506 0.256 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 -27.317 -15.193 7.729 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 3.994 0.915 0.350 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 8.982 3.594 -11.610 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 2.277 1.555 3.066 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 -2.579 -3.568 1.055 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 14.821 -6.489 11.348 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 0.882 1.385 -9.587 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 -4.664 0.448 1.762 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 -21.682 8.318 25.527 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 0.415 -7.732 -12.344 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 -11.871 -2.670 1.227 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 7.381 -11.491 -19.127 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 32.162 4.505 5.522 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 0.019 2.044 -1.324 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 18.666 7.064 3.461 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 -13.663 -3.152 1.623 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 2.227 5.919 -5.043 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 -6.823 22.019 -1.659 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 -3.660 8.176 -7.408 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 1.210 -1.836 1.343 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 24.507 -14.197 -28.684 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 -12.068 -1.084 -10.733 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 -0.601 -3.151 -3.436 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 15.072 9.512 -8.205 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 4.991 -8.889 -12.753 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 1.957 -3.390 0.199 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 -4.087 -3.547 4.006 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 -6.065 -15.209 17.277 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 0.092 -0.654 2.042 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 -21.604 9.318 14.332 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 4.512 10.495 18.538 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 -1.805 6.072 0.669 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 -25.561 10.209 22.031 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 -9.376 8.923 -23.840 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 2.778 0.546 -0.338 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 6.239 18.109 15.187 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 -3.482 11.249 -23.062 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 4.434 1.252 5.658 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 6.113 -7.233 -11.738 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 11.872 -12.906 18.537 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 0.475 -3.821 -2.644 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 -10.781 0.330 -10.618 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 -19.667 2.346 -17.060 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 -4.756 0.628 2.406 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 -23.577 5.339 -22.733 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 18.812 -19.798 -7.427 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 0.118 5.760 -1.088 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 0.004 2.667 -4.330 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 3.496 -1.499 -0.556 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 -3.472 -3.426 8.010 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 17.568 7.610 25.138 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 -12.828 2.185 -32.820 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 1.641 -2.357 -5.380 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 4.644 -6.364 8.863 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 -7.437 -0.007 -14.075 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 3.744 1.504 -1.715 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 -2.402 -7.607 0.634 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 8.563 6.371 8.703 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -2.144 0.628 4.000 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 -16.827 -10.158 1.757 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 -4.221 9.195 -22.709 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 0.363 -3.443 -1.504 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 -2.644 -3.509 5.879 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 33.753 -16.588 -4.565 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 -0.232 -0.640 0.481 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 -23.709 12.875 17.346 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 -24.094 5.829 -12.585 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 -0.024 0.702 -6.651 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 -1.819 -11.674 0.947 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 -0.682 4.904 -12.562 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 2.764 -4.420 2.453 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 -33.070 -16.484 6.258 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 22.106 9.780 -3.001 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 -3.741 1.070 -2.272 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 14.869 -0.950 -16.208 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 0.731 12.973 4.738 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 -2.685 -5.860 -6.358 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 -0.132 4.499 -0.890 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 -7.516 -26.114 -6.103 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 -0.005 5.573 0.429 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 17.986 9.242 -14.667 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 -8.145 1.032 -15.761 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 -3.180 3.669 0.960 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 9.914 -4.163 7.598 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 7.411 -12.277 -17.498 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 0.553 -4.207 -1.101 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 -0.734 -7.230 -6.293 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 0.547 -3.469 -0.567 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 -0.339 1.784 -2.565 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 3.814 22.765 23.767 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 2.988 -1.382 -8.472 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 4.267 -2.224 10.154 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 0.515 3.688 8.765 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 7.189 -0.718 18.748 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 -0.468 -0.031 -5.239 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 -7.241 5.923 -3.092 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 9.795 9.731 -3.338 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 5.180 2.471 3.525 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 -2.471 -3.772 -4.773 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 9.800 5.708 0.659 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 -3.313 -0.850 -2.159 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 10.737 -4.883 21.679 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 7.288 18.598 18.794 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 -1.575 6.617 3.961 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 20.809 -8.844 2.693 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 2.841 0.230 4.673 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 -0.144 0.292 -1.685 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 10.189 2.761 -13.412 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 -23.047 7.803 -4.290 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 -1.368 2.621 -4.306 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 -6.551 2.267 -1.084 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 2.575 -3.411 -7.560 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 5.528 -0.114 -2.592 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 7.818 -22.017 -22.774 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 -3.522 -5.858 -6.561 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 -3.875 0.605 2.994 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 3.111 13.454 -26.077 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 -7.024 -5.139 25.259 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 -1.105 -0.195 -0.028 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 -1.736 18.758 -14.530 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 -0.575 16.172 -8.000 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 0.473 2.242 2.282 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 12.462 -3.514 4.366 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 0.174 4.654 -10.604 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 7.088 -2.801 -9.894 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 0.804 -22.043 -5.178 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 27.934 -16.670 0.908 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 4.654 -4.192 -3.821 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 5.450 -7.726 0.091 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 13.454 3.639 2.160 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 -1.131 2.835 -4.801 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 0.810 -5.637 -1.471 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 -12.481 -1.519 -2.622 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 1.532 1.407 4.442 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 5.302 2.591 -0.091 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 7.936 -6.157 17.416 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 2.711 -3.191 1.077 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 -2.009 -5.966 8.012 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 10.650 2.549 -13.581 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 2.164 -2.983 -3.420 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 8.221 -2.252 -0.336 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 10.445 -3.360 -4.114 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 -11.243 3.492 -1.920 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 -12.500 -5.241 -17.402 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 -2.448 5.813 5.255 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -5.230 -0.676 -1.462 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 -15.534 5.569 -3.574 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 -17.225 -8.891 9.615 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 -1.233 -2.188 2.998 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 -10.422 6.428 9.705 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 2.262 -13.616 11.803 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 -2.997 2.156 -3.870 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 -6.499 -2.137 -2.084 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 -12.583 -12.830 1.426 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 4.604 5.111 -2.430 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 8.337 8.399 -1.870 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 8.823 20.181 -8.322 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 -1.268 -0.731 6.383 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 -6.023 -4.553 8.262 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 26.085 -6.586 10.991 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 2.148 -6.846 4.872 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 19.478 -23.366 4.834 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -6.377 -8.442 16.352 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 -3.806 0.006 1.579 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 4.585 -7.090 -3.323 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 10.381 -20.457 -0.829 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 1.933 -2.472 -3.842 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 9.133 8.759 14.102 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 2.956 -0.381 -6.282 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 0.098 3.728 -0.483 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 -2.825 3.877 -18.424 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 7.536 8.649 7.131 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 3.072 2.510 1.310 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 0.144 2.979 -13.735 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 -5.518 10.602 20.315 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 -4.976 5.569 2.066 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 3.331 2.747 4.306 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 -5.380 -4.855 -4.600 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 1.950 -2.147 -4.811 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 -2.416 1.139 -5.869 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 0.649 -4.661 -7.637 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 7.156 -9.237 -1.994 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 3.403 -17.498 -9.367 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 12.224 5.629 -1.224 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 1.993 9.051 8.084 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 19.590 3.711 -28.183 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 -20.545 -19.039 9.348 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 1.540 -1.218 -0.257 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 7.239 30.075 6.316 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 -23.246 -1.505 17.216 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 0.020 1.479 -5.568 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 -4.520 -1.138 -10.869 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 18.535 11.274 14.728 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 1.678 3.026 1.520 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 6.109 -4.536 -18.111 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 14.720 19.691 3.715 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 -4.914 -8.262 2.466 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 -7.489 18.075 15.096 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 3.457 -16.387 -16.413 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 -1.406 8.157 -4.613 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 -19.307 0.745 1.580 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 6.899 11.168 9.896 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 1.492 3.020 -7.564 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 3.220 -0.341 -1.137 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 14.591 -23.052 -26.182 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 -3.354 2.183 2.464 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 -17.821 2.272 7.288 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 -18.344 -1.813 10.898 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 -0.837 -5.909 -3.291 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 3.886 2.896 23.989 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 1.338 -8.598 -3.672 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 -4.275 0.146 5.272 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 9.116 6.597 2.047 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 3.331 5.260 8.404 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 3.256 -6.555 3.565 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 0.015 3.213 34.182 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 20.402 -19.323 18.344 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 4.534 -0.719 -3.288 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 1.868 -14.099 19.889 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 0.580 -6.169 -7.793 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 4.514 0.091 0.778 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 14.351 -13.375 5.818 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 -28.813 7.313 4.392 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 0.439 6.873 -1.976 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 1.324 5.734 1.035 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 5.445 -8.769 -19.018 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 -0.104 -2.609 -6.260 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 -8.261 -3.678 -1.161 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 -1.940 -2.063 -2.640 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -5.654 -4.271 -0.038 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 11.799 -12.409 -8.304 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 -18.038 2.071 9.034 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 -2.277 9.031 -2.042 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 4.303 12.709 5.540 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 -14.675 -1.138 -18.726 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 7.604 -1.564 1.969 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 2.636 -25.874 -6.287 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 -4.236 -18.104 1.358 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 -6.445 -4.872 2.969 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 -13.114 -1.421 17.949 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 -3.377 17.378 -7.537 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 2.020 -4.998 -0.549 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 -14.185 3.813 4.892 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 -26.083 -6.686 11.534 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 1.071 13.077 -0.866 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 19.670 11.769 6.530 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 -10.064 -12.887 6.305 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 4.252 -8.381 6.735 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 -14.607 8.052 2.756 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 12.958 -18.206 8.038 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 -2.239 -4.459 6.916 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 -6.874 -0.134 11.187 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 -7.849 -26.753 -9.566 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 -4.120 8.098 -1.367 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 5.010 12.022 4.786 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 -4.873 10.016 -14.089 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 -3.636 -9.032 -2.086 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 5.882 5.078 -10.470 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 -8.509 -16.684 -2.574 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 2.259 -4.183 4.343 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 -12.870 -14.094 8.417 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 -4.465 -6.914 10.879 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 -0.169 -0.817 1.624 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 -2.642 -1.610 1.714 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 -4.056 17.421 -5.221 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 -5.822 8.914 6.071 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 -7.987 14.128 7.118 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 -0.584 13.217 -3.703 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 0.545 4.374 -2.532 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 -2.224 15.081 -8.842 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 -6.704 -2.269 -7.517 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 5.868 5.135 1.330 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 -0.420 6.706 4.033 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 21.335 -13.363 -0.276 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 5.657 -4.028 3.023 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 4.659 -5.416 -6.826 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 4.875 -4.514 -0.756 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 -2.447 5.087 0.371 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 2.142 -5.587 -7.836 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 3.599 -12.754 -6.272 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 4.087 4.259 -0.324 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 18.953 6.877 0.247 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 9.150 26.010 2.962 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 -5.146 1.788 -0.084 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 5.132 -4.049 5.027 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 9.945 -7.624 -12.336 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 4.967 -3.332 -2.661 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 3.738 4.635 -3.765 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 -23.438 -1.789 -32.651 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 -1.425 5.204 1.675 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 -10.228 19.493 9.493 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 12.697 12.691 -8.085 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 -2.396 -0.219 2.534 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 2.127 -3.720 -4.259 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 0.159 -4.575 -14.145 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 3.731 8.897 9.927 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 -7.885 9.408 0.332 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 5.875 -16.725 -16.311 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 -10.343 -9.378 -3.540 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 5.765 23.836 -21.480 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 -10.570 27.248 -1.968 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 -1.412 6.230 7.250 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 6.234 13.368 14.136 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 -10.293 13.282 5.754 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 -2.455 3.017 -1.954 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 10.815 9.806 2.609 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 -4.955 9.191 -16.594 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 -5.520 -0.980 4.640 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 0.615 1.922 -8.880 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 6.020 -19.520 12.333 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 3.461 -10.611 -1.218 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 -19.092 -18.579 12.614 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 -6.396 -16.686 0.941 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 -1.759 6.858 -1.680 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 -10.411 11.992 4.908 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 16.037 -11.899 25.243 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 8.806 -3.248 1.753 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 -1.718 -4.312 4.468 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 24.177 -4.454 4.325 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 6.107 -3.448 -2.124 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 9.992 -1.824 -8.717 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 -19.751 8.601 9.932 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 -8.759 0.088 -2.712 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 -15.389 6.824 -2.704 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 -12.356 4.376 12.091 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 3.549 -7.287 -4.751 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 11.991 -2.465 -3.659 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 2.948 -10.147 -20.580 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 -7.691 3.990 -2.213 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 -13.352 -6.513 -4.096 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 -10.073 -4.546 -5.506 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 1.025 -2.334 -0.144 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 -3.987 -12.528 -2.917 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 1.059 -0.452 14.787 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 0.931 3.621 -1.252 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 -1.061 -10.770 2.923 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 17.040 14.244 8.627 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 -6.486 -2.138 0.307 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 0.037 -17.690 -11.820 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 1.350 -26.200 -0.169 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 -2.924 -5.731 2.431 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 -14.142 -10.557 -0.273 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 -4.819 -7.534 8.250 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 5.254 8.750 1.313 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 12.525 9.352 -11.552 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 4.138 -5.580 5.032 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 6.174 0.854 -3.323 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 4.132 8.478 -15.928 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 6.112 -7.848 -7.657 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 5.746 1.243 5.552 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 -8.310 14.479 13.880 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -5.146 13.888 13.298 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 -0.783 -5.457 0.589 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 -13.488 -6.822 -0.488 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 2.153 4.510 -4.406 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 2.533 2.793 -0.251 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 2.900 -1.214 -1.176 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 -6.723 3.533 0.722 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 -0.081 1.186 -6.555 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 5.248 10.163 16.650 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 -2.392 -0.835 -15.743 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 4.179 -0.184 -3.951 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 4.232 3.447 3.010 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 -14.431 -2.241 10.320 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 -1.315 -7.499 -0.855 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 8.382 -12.134 7.011 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 5.724 -4.107 -9.526 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 6.777 -0.170 5.055 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 -24.306 7.528 40.045 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 15.667 15.035 11.958 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -6.871 1.137 -1.313 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 -3.935 11.035 -20.382 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 -3.129 17.425 6.586 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 -1.186 1.289 -4.775 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 -8.799 6.830 -16.551 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 4.474 -5.131 4.373 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 -2.064 -4.319 -1.391 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 -5.185 18.800 8.618 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 3.135 -9.898 -3.947 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 2.315 8.455 4.459 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 6.861 -4.838 2.797 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 -0.624 0.284 12.377 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 2.182 -1.860 -9.123 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 8.224 18.356 -18.854 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 1.090 10.729 9.857 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 1.454 -2.399 -1.333 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 -9.842 -9.311 1.707 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 9.559 8.628 -4.044 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 -1.691 2.604 4.776 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 2.130 -1.208 0.485 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 -8.146 6.330 6.047 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 5.897 -5.561 1.194 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 1.291 2.882 3.229 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 5.958 -12.241 0.691 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 2.457 -2.847 -3.328 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 4.403 12.954 -16.191 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 16.009 0.381 5.193 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 -1.573 -3.270 -1.494 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 24.623 8.416 -18.848 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 8.882 8.563 -5.040 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 -5.534 -3.230 0.259 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 -2.029 -4.620 2.544 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 8.290 -14.761 5.522 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 -6.585 -0.226 1.342 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 -7.001 3.228 7.728 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 10.646 -14.422 17.641 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 3.476 7.057 1.193 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 -1.162 6.212 6.161 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 5.750 9.507 -31.065 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 4.138 5.715 -7.057 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 12.397 18.685 13.937 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 3.305 4.423 -9.445 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 0.967 -1.121 6.354 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 1.056 -9.613 2.894 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 5.185 -0.217 12.479 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 3.755 5.066 -1.793 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 -9.521 14.179 4.926 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 -3.723 10.877 -11.152 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 -1.306 2.438 -2.068 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 -14.806 -10.264 1.939 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 3.594 1.846 -0.726 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 6.476 0.625 6.338 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 -7.326 -10.504 2.103 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 16.272 0.165 -8.137 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 -0.444 0.609 -4.059 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 -5.449 -9.007 -10.653 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 4.828 10.677 13.990 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 3.070 5.416 5.906 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 2.979 2.684 9.520 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 -0.274 -5.292 6.255 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 0.530 -5.298 -6.939 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 -4.225 -5.627 1.103 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 3.784 4.104 -3.484 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -1.933 -4.003 -2.438 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 4.501 -8.830 -5.552 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 -8.774 -2.705 -8.401 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 7.293 -4.473 3.294 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 7.662 -11.906 -2.084 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 3.914 11.560 5.251 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 1.721 -2.032 4.299 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 1.171 16.310 15.657 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 12.042 -13.667 10.255 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 -4.225 9.301 2.955 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 -4.937 19.456 19.925 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 14.425 -23.194 -8.833 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 0.487 0.717 -3.041 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 -10.699 -0.688 -14.788 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 0.160 -5.914 -3.585 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 -0.162 -1.503 0.032 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 2.565 -18.663 -2.043 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 -7.895 6.558 10.547 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 1.249 4.168 9.056 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -2.313 -6.296 -17.533 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 -4.134 14.856 23.479 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 0.746 0.391 1.797 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 -2.835 2.386 2.046 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 -1.807 -1.198 -9.815 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 8.786 -7.702 4.614 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 8.686 -19.225 4.958 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 8.697 17.557 5.556 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 2.932 1.528 -2.638 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 7.561 8.712 9.635 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 -20.904 0.857 -29.295 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 -1.945 0.700 4.114 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 -8.930 2.030 1.914 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 2.660 0.509 -0.769 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -7.509 -6.944 2.415 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 -25.356 2.474 -5.219 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 -8.734 -19.260 8.893 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 -0.631 -4.308 0.038 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 24.229 24.002 28.949 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 0.871 13.040 25.033 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 1.997 4.414 8.404 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 -30.879 -18.440 -5.049 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 -12.816 7.884 12.619 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 6.795 0.331 5.573 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 0.524 -4.407 -7.164 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 15.473 -11.489 7.510 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 0.325 0.576 -3.316 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 -1.713 -3.962 -0.918 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 0.601 -1.909 -1.974 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 -9.750 -3.252 1.905 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 -2.041 8.450 9.673 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 4.452 8.865 10.760 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 -3.531 3.053 -2.857 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 0.013 5.691 -10.879 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 -6.251 4.271 4.101 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 -2.690 0.963 4.977 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 -1.720 8.936 15.533 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 2.095 -0.955 -7.515 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 2.719 -7.234 -1.209 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 7.203 -8.519 -9.597 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 13.874 -6.650 -16.845 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 -4.603 5.307 -4.707 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 22.480 -7.537 3.379 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 -7.329 14.435 1.593 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 -3.119 1.816 -0.967 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 7.177 -9.538 7.597 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 -4.282 3.338 -1.906 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 0.485 10.355 4.377 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 3.720 -6.953 32.748 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 -28.737 -2.780 -9.100 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 3.147 3.167 5.123 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 17.211 17.046 19.229 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 -15.821 1.644 7.644 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 0.805 -0.357 -7.492 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 11.154 -23.298 3.634 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 0.706 20.740 -10.320 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 -0.154 -3.541 -2.720 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 -8.144 -6.295 1.891 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 -4.329 18.752 -1.305 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 1.126 -6.379 6.122 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 -23.335 -7.351 4.619 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 -6.131 0.215 -15.072 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 3.041 0.696 4.394 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 11.798 2.384 1.916 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 2.851 -8.302 3.063 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 1.753 -3.492 -4.088 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 -18.637 -11.101 -15.703 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 -0.111 -1.575 9.190 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 4.463 1.808 1.712 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 10.025 -14.948 -8.516 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 -5.744 10.024 -6.907 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 3.001 -5.073 -1.664 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 -8.443 10.972 7.189 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 29.244 -37.729 1.795 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 -3.039 -1.562 2.734 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 10.342 -17.536 -4.826 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 -0.404 -6.302 2.792 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 0.012 2.554 -1.368 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 10.287 -2.036 3.425 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 8.960 -11.795 9.971 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 2.071 7.026 0.170 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 4.863 -5.642 -1.162 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 -4.954 3.319 2.926 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 -0.182 -0.464 2.755 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 -14.197 4.106 12.002 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 3.448 13.765 -6.617 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 2.855 -4.725 -0.552 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 -20.870 8.055 2.792 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 31.165 9.723 -6.315 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 -0.384 -1.669 0.632 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 21.271 28.569 -4.890 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 -8.673 -3.973 10.489 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 3.691 -1.344 0.080 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 -6.878 7.701 -10.060 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 21.365 27.313 32.428 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 3.272 -0.178 -1.643 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 6.241 -1.037 -0.667 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 -12.649 9.815 -7.951 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 -4.269 8.307 2.911 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 -12.795 -5.968 -0.376 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 11.179 21.762 -6.983 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 -0.290 -10.074 3.939 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 -4.094 -17.179 -20.227 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 9.003 -19.052 -24.200 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 4.513 4.095 -3.457 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 24.935 -7.091 -10.913 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 3.973 4.454 -3.414 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 -0.134 -0.451 -4.548 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 -2.662 -6.504 -10.148 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 -14.155 1.288 0.071 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 -3.377 -3.519 2.817 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 -4.566 -15.726 12.757 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 -0.542 -3.974 3.865 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 5.861 -1.444 0.002 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 6.359 -15.797 -9.570 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 6.005 -1.010 -2.455 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 -0.333 -4.206 2.142 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 3.822 5.527 -15.733 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 -6.369 6.304 20.173 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 2.912 6.193 -0.487 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 6.706 24.501 6.152 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 -3.698 -3.682 -6.795 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 5.840 1.650 -3.094 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 -14.260 4.752 3.069 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 11.400 -3.203 13.193 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 -1.504 -5.909 -1.668 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 -1.448 -0.185 -2.779 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 14.994 7.593 18.293 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 1.344 -4.891 -0.983 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 21.615 -17.013 9.157 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 -0.186 -5.028 1.873 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 -1.933 3.691 -8.022 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 14.276 -0.920 8.473 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 -18.071 -25.601 -19.487 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 -5.583 -1.454 -0.823 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 -8.050 9.926 -4.302 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 4.965 -5.949 -8.479 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 5.398 -0.190 2.204 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 10.594 2.358 5.020 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 7.206 0.824 3.247 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 0.346 -4.733 3.707 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 -1.065 9.732 -3.278 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 7.130 9.319 -17.608 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 2.578 1.803 -3.171 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 -8.720 14.614 -29.704 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 29.233 -4.420 -13.371 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 1.136 2.707 1.133 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 -10.272 7.071 15.383 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 3.403 -26.556 -1.105 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 4.215 0.969 8.457 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 19.056 -5.091 5.815 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 -6.369 -2.739 -2.719 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 6.587 -6.892 -2.670 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 -14.429 -12.261 -4.903 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 7.597 15.152 1.961 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 -2.558 1.285 1.106 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 -9.746 10.994 13.657 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 -0.691 0.465 -32.497 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 0.114 -1.354 3.566 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 -5.742 8.524 30.097 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 2.914 -2.956 -0.994 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 -8.848 -4.125 6.008 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 -9.876 14.491 12.004 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 -3.759 -37.582 -18.264 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 -1.521 -3.904 -0.402 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 -10.073 -14.661 -3.688 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 4.309 -2.227 19.871 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 -1.750 -2.230 -1.069 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 8.211 -7.890 -5.499 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 -0.727 -12.779 -4.159 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 2.767 -2.894 5.981 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 -5.173 1.406 2.641 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 -3.631 -3.112 2.097 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 0.774 3.061 0.149 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 15.935 -3.199 -41.370 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 6.478 24.862 -0.964 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 4.298 -1.215 -2.885 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 4.061 -13.726 -13.052 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 -7.356 -8.235 -7.997 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 0.358 -4.708 -0.827 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 -17.675 0.853 1.017 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 -1.462 4.528 5.161 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 -4.811 6.592 -7.325 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 -14.213 8.009 20.677 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 1.727 -0.816 8.472 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 5.187 -2.600 -0.341 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 3.783 -16.955 4.610 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 1.805 2.435 -0.786 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 0.221 2.196 2.628 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 -3.149 7.913 -4.955 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 0.989 -15.038 7.619 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 0.740 -5.462 -0.237 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 19.209 11.346 -0.006 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 -10.787 -1.530 -8.465 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 0.858 1.210 -4.142 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 -3.300 -6.119 -11.496 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 -14.125 -1.178 -0.484 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 -5.043 1.497 -0.898 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 2.157 -7.452 -2.332 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 -2.657 11.697 10.072 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -2.678 -1.994 -2.824 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 -14.820 -2.484 0.947 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 0.009 -11.087 -0.276 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 8.769 -5.101 -1.351 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 -7.890 -14.777 -19.994 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 30.233 -14.391 -4.010 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 9.241 5.545 5.453 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 32.121 0.329 -9.248 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 20.519 7.092 14.810 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 -0.119 1.381 2.127 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 13.629 -8.739 14.089 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 -8.252 7.120 -5.289 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 2.234 -0.956 -7.134 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 12.533 -0.855 -20.845 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 6.972 0.111 -5.587 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 -0.585 0.790 -1.618 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 0.929 10.351 -14.124 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 -2.943 -8.814 4.057 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 -2.353 4.832 1.375 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 -1.837 24.305 -2.380 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 13.871 7.778 -0.177 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 2.959 4.625 -1.265 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 1.640 13.762 3.461 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 -2.315 -15.969 -4.037 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 -0.457 -1.367 -2.505 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 -5.743 -7.916 1.882 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 -12.794 -20.480 -1.983 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 -4.218 4.823 -0.159 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 -2.500 -10.722 34.913 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 -1.431 5.983 -6.676 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 -0.682 -0.657 1.421 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 -11.938 -2.900 -1.335 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 4.244 -1.171 19.292 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 -3.703 -0.082 -8.318 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 -15.321 14.949 -0.799 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 -14.889 -8.216 -18.622 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 -2.108 4.495 0.052 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 -9.407 5.409 -13.556 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 3.231 0.028 -7.310 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 2.745 -0.573 -2.770 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 2.021 11.683 -24.772 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 11.222 -0.783 -18.090 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 -5.760 -1.036 -0.689 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 -12.832 16.061 -21.989 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 29.929 14.391 -20.589 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 1.105 -0.890 6.658 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 29.040 5.699 -34.635 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 -22.286 4.067 -5.293 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 2.811 -1.855 2.558 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 -6.663 -9.328 -6.706 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 9.819 -4.656 -6.326 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 -3.644 -0.960 -0.857 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 -12.429 2.949 -6.379 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 -21.809 -2.990 6.676 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 -6.828 7.121 -1.837 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 -9.248 -12.536 7.548 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 -0.681 10.680 5.767 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 -0.291 -2.057 2.133 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 20.344 6.015 -10.439 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 9.748 8.087 2.533 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 1.361 -1.491 3.158 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 5.632 -5.723 9.721 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 3.483 -8.717 -2.819 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 1.367 -1.682 -4.987 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 -8.287 -36.122 -24.225 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 16.260 31.725 4.064 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 1.715 7.301 4.875 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 10.009 1.161 5.714 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 -1.182 10.549 3.164 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 4.249 -3.236 0.337 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 9.757 -4.218 -3.800 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 -14.082 -5.444 10.952 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 -2.642 -0.448 -3.293 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 32.024 -4.358 4.165 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 19.226 -3.609 -2.628 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 2.510 -4.801 -1.908 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 8.272 -1.085 -7.728 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 6.267 12.108 12.153 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 2.526 0.762 7.690 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 -23.353 15.255 -8.180 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 -5.675 -2.438 6.661 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 -2.137 1.026 5.032 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 -4.377 2.981 10.127 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 17.663 -5.214 -0.519 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 -0.136 1.759 -4.080 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 -4.505 -10.883 -7.081 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 0.042 -6.039 6.070 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 -5.807 1.288 7.050 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 -7.955 12.130 31.108 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 1.050 -8.971 -6.437 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 0.733 3.380 1.740 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 -1.688 -7.182 23.714 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 -3.768 -10.481 30.160 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 -1.481 -3.146 0.465 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 -5.932 -16.077 5.354 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 2.078 3.245 14.690 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 6.813 1.056 1.224 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 -1.933 3.013 3.958 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 26.944 -16.226 -12.715 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 1.380 -1.034 0.998 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 19.681 8.284 10.269 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 -9.358 6.889 5.648 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 1.764 7.060 3.875 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 -18.947 -5.913 -1.349 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 0.765 -5.205 16.705 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 8.424 1.641 -6.009 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 -11.323 13.063 -6.389 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 9.302 -6.131 4.166 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 -2.095 4.694 -2.816 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 -16.558 -2.572 -5.974 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 4.377 5.257 -0.826 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 -0.885 6.671 0.343 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 21.950 13.661 16.430 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 0.660 -18.825 2.102 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 0.703 -1.078 4.317 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 -11.743 7.632 -5.564 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 6.985 -13.382 -7.925 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 3.134 3.692 2.275 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 -3.881 4.709 -3.184 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 5.149 -6.391 9.210 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 4.038 -4.397 4.911 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 -1.160 -3.405 -5.480 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 3.877 9.406 2.894 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 -1.294 -8.413 -5.474 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 16.224 -14.805 9.045 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 3.142 6.090 -24.776 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 -5.194 -3.079 -3.453 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 -7.401 -6.787 -2.604 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 -11.453 -6.244 5.385 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 0.958 -5.469 2.068 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 -0.418 -0.817 -7.608 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 11.079 6.304 -1.842 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 -12.060 -3.125 -1.770 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 -24.497 -10.978 -10.378 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 3.999 4.781 5.938 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 1.539 -3.388 -2.242 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 -4.141 17.218 -3.459 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 -7.621 20.509 -3.082 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 -1.419 -8.638 -0.225 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 -16.101 -19.266 18.585 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 17.736 11.045 2.939 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 -0.744 -2.396 1.085 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 -2.547 -3.017 -2.111 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 -7.534 -3.156 11.833 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 4.315 -4.705 -3.959 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 -10.906 -18.338 0.523 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 -10.547 -5.614 21.817 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 0.029 4.239 -2.860 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 9.429 -8.098 -26.409 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 6.669 5.021 -0.694 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 5.961 -2.888 3.210 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 9.745 -5.271 16.503 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 18.460 1.532 -3.180 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 -3.882 -3.199 4.320 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 -17.253 -0.344 10.300 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 33.938 -5.328 -13.287 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 14.121 -0.804 -0.881 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 -1.836 -5.777 19.107 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 -7.978 3.723 -17.913 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 2.666 0.758 -0.734 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 -9.249 8.457 15.004 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 -1.909 3.043 -14.476 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 -4.808 0.578 0.056 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 14.342 1.185 -1.182 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 10.794 -3.531 -18.894 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 2.972 1.005 -2.088 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 -14.669 15.405 5.661 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 25.075 5.768 7.159 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 2.003 -2.438 4.103 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 -0.300 9.665 16.306 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 3.879 2.117 -5.241 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 -5.395 -0.907 -2.985 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 -14.325 13.593 1.486 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 2.629 -5.270 9.173 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 -3.210 0.091 -1.879 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 2.677 9.399 -15.172 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 18.946 15.158 -23.294 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 -4.800 1.367 -3.903 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 15.483 -1.318 13.277 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 1.263 11.238 -9.442 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 -1.830 -2.345 2.081 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 -4.951 -3.558 9.230 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 1.393 -0.957 5.202 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 -5.893 -5.594 0.743 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 -5.668 -4.657 0.457 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 -5.805 1.669 -3.690 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 2.415 6.832 -0.409 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 -4.938 3.443 5.963 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 15.125 13.203 -4.342 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 -2.583 -1.405 0.063 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 -6.081 -0.155 -3.874 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 5.537 -7.039 8.006 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 2.207 7.965 5.222 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 -15.317 7.976 16.515 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 -4.580 14.432 -13.493 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 1.257 -2.177 0.584 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 8.108 -8.323 -20.260 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 -8.350 25.208 11.668 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 3.051 2.285 0.332 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 4.116 -16.475 7.073 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 10.903 11.900 0.209 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 2.192 0.235 1.820 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 16.317 5.299 22.711 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -2.036 4.185 9.775 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 -5.730 -2.082 1.510 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 -4.069 -3.008 -1.724 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 -0.952 10.778 -14.467 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 2.545 0.071 4.066 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 15.001 -12.065 17.073 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 11.413 4.204 8.227 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 8.900 3.580 0.743 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 -13.401 -10.446 -7.452 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 6.847 27.301 -15.467 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 -2.891 -0.322 -2.197 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 -14.081 11.787 21.317 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 -6.831 17.796 -14.749 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 -5.211 -3.150 0.129 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 17.790 -20.519 7.601 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 7.362 22.126 -7.961 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 -0.386 5.297 -4.093 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 -10.115 -7.192 -3.851 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 1.740 8.835 -8.247 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 2.033 -1.669 4.080 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 2.228 -3.118 5.011 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 -1.682 16.293 -1.297 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 5.418 0.167 0.198 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 -18.144 10.506 19.811 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 6.184 -25.775 2.919 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 -6.731 5.153 -2.845 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -15.503 11.058 9.232 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 -8.729 -1.893 -1.289 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 2.427 -7.916 -6.295 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 7.350 10.439 31.229 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 -7.198 -5.423 -5.243 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 4.790 -0.288 -1.148 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 -4.704 8.528 -11.612 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 0.506 17.354 17.766 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 9.557 4.235 -1.291 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 10.530 1.131 10.737 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 13.290 3.461 7.984 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 3.160 -0.591 3.749 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 -2.052 7.318 15.651 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 5.419 -4.146 -8.836 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 1.028 2.815 6.556 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 -7.418 8.212 6.910 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 6.604 5.965 14.704 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 0.273 2.353 -5.322 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 0.837 2.736 3.642 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 9.153 -7.078 -10.769 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 -6.612 5.957 2.626 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 -4.216 18.019 3.718 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 -18.488 -19.746 -0.943 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 2.606 -3.967 -5.667 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 5.689 -1.342 -3.303 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 -0.049 -4.302 -17.298 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 0.776 -4.330 0.126 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 25.418 -9.665 -14.484 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 -5.681 -3.115 -7.601 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 -2.113 -1.551 -1.480 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 -3.352 17.116 17.224 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 -2.139 -8.340 -3.726 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 -5.418 -0.780 5.300 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 9.825 3.249 -3.905 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 -7.379 4.740 10.257 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 -1.237 -0.624 3.532 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 -6.390 -0.180 3.348 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 -0.950 -1.458 4.087 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 4.760 4.312 -8.412 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 0.050 17.814 -0.171 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 -19.713 -2.785 14.503 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 2.697 3.716 3.028 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -0.075 -8.140 1.676 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 -1.798 -22.944 -2.052 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 6.339 2.624 -8.137 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 5.308 18.659 2.903 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 3.617 -5.610 -10.009 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 6.671 -4.944 1.434 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 15.400 -1.828 11.557 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 5.572 4.401 15.285 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 -3.465 -1.010 8.027 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 1.185 -3.734 7.505 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 -7.510 -0.354 9.021 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 5.516 -2.978 1.744 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 -14.012 5.007 -16.731 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 6.269 6.945 -6.861 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 4.900 -4.066 3.059 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 15.297 -6.882 0.440 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 -8.025 3.571 11.796 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 -6.020 4.593 -0.509 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 1.994 3.301 -0.756 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 0.781 25.750 -2.256 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 -9.836 1.962 -0.402 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 -7.011 -7.763 -0.905 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 -4.579 4.166 -0.071 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 -3.055 -1.163 6.361 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 -4.685 0.052 8.004 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 -8.022 -4.719 12.369 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 -7.760 6.378 -1.260 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 -12.479 13.072 -11.544 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 -0.570 -2.270 -7.672 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 6.086 1.559 2.294 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 7.220 -0.476 7.229 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 0.914 0.297 17.669 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 1.970 6.013 3.841 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 -1.453 -0.233 1.217 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 -21.437 9.682 -15.042 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 -5.909 -4.768 -3.282 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 8.139 -26.126 5.450 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 -15.542 4.406 1.563 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 -0.719 5.028 1.037 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 2.486 9.006 5.800 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 12.900 0.432 -5.709 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 1.722 1.548 -4.682 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 3.197 4.617 -2.546 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 1.057 4.064 -3.121 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 4.556 -0.926 2.831 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 -18.659 22.511 -3.107 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 11.969 -29.418 -22.170 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 4.947 -1.823 1.469 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 5.223 -7.871 16.106 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 16.535 0.231 -1.315 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 3.784 -7.349 -1.036 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 8.132 0.405 0.082 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 10.012 -15.001 -5.968 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 7.887 -1.636 -0.516 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 25.378 10.230 -8.691 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 -0.829 10.956 14.076 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 4.649 5.622 6.842 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 8.152 -11.365 -14.133 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 -0.261 6.622 22.935 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 4.268 -3.347 -1.910 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 2.033 -0.303 -3.673 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 -1.984 8.693 -9.589 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 -3.014 1.013 -4.470 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 -23.335 22.452 -29.898 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 -2.557 0.509 -3.169 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 -1.265 0.956 6.425 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 31.826 18.057 16.879 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 -15.625 17.843 -12.080 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 -6.922 4.996 1.225 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 -0.852 -13.642 -6.226 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 -11.488 0.746 14.794 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 7.579 -2.050 1.602 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 10.851 -14.124 -1.600 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 9.701 -0.443 3.005 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 -0.005 -1.761 0.939 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 4.598 2.479 4.122 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 2.198 -12.269 2.374 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 1.525 -6.945 4.331 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 -2.041 -6.454 5.600 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 15.389 -8.070 -2.889 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 6.667 3.793 3.271 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 -4.795 13.017 -1.450 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 17.954 -5.373 7.879 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 0.904 3.184 5.450 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 14.800 0.673 9.409 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 1.004 13.704 -2.571 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 -2.939 -6.034 -2.042 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 8.227 -22.829 -0.134 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 0.763 -7.102 -24.528 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 1.727 3.110 0.945 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 -0.426 23.507 17.719 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 -1.217 -14.870 10.112 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 2.550 1.313 3.676 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 19.648 11.299 11.982 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 15.842 9.588 10.348 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 -5.678 3.211 -1.253 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 -6.569 8.283 12.417 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 -20.080 7.811 -7.843 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 1.177 -0.776 1.162 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 -16.131 10.143 3.195 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 2.828 0.069 -6.679 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 2.591 -2.546 -3.516 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 -32.155 0.118 -12.707 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 6.854 -1.445 -6.645 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 -7.791 -1.310 5.354 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 -16.497 1.214 10.773 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 -3.252 -5.920 -10.559 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 -3.101 0.016 -6.767 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 -17.020 14.190 1.854 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 17.141 12.927 0.921 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 -4.268 2.555 -1.501 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 19.441 5.893 -11.497 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 -16.995 -14.114 -7.288 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 3.310 0.977 4.393 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 11.279 -4.499 -7.285 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 -10.627 9.146 23.555 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 -5.513 -0.649 -1.519 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 -27.994 10.669 11.087 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 4.816 -13.879 -6.391 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 -6.820 -2.266 2.044 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 -15.166 3.974 23.968 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 6.310 -17.400 5.871 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 0.675 2.432 5.145 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 2.909 4.478 -1.968 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 0.055 -3.087 10.648 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 7.185 2.849 -1.588 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 7.241 12.678 -4.791 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 11.621 29.015 -1.441 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 -1.042 4.300 0.392 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 6.628 -17.144 -22.844 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 -24.836 -7.751 -7.854 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 2.517 -3.757 5.669 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 -5.535 -11.369 3.989 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 8.300 -0.400 -5.575 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 3.115 -0.146 -0.156 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 -9.092 7.969 -3.844 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 15.358 12.882 3.697 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 -6.266 -7.612 -2.432 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 0.028 6.060 14.367 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 13.233 -12.974 -12.747 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 -7.727 -3.193 -4.398 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 -25.773 -4.613 -12.728 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 -5.695 19.432 -0.142 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 -0.558 5.589 0.553 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 6.932 0.813 -5.981 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 -10.446 -1.423 4.313 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 1.970 -2.670 15.681 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 8.290 -13.397 25.120 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 2.250 3.672 0.445 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 3.962 0.234 0.660 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 9.885 8.036 11.743 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 -0.672 3.721 -1.648 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 0.382 -3.779 2.979 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 -8.076 19.182 -8.032 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 -2.495 32.190 -16.388 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 0.807 -5.712 0.677 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 14.060 13.623 1.944 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 -16.801 -24.503 -7.234 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 0.922 -2.483 0.079 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 16.773 -8.257 -1.193 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 8.902 9.237 3.192 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 -0.511 -0.351 2.080 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 6.341 8.600 -12.747 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 6.076 -18.670 -1.567 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 -7.636 1.564 3.832 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 -9.629 13.302 10.386 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 0.333 0.374 -5.194 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 -5.833 2.787 -2.261 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 -2.660 22.777 -11.698 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 -12.577 2.344 16.177 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 7.452 -3.875 1.616 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 -8.725 11.121 1.404 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 10.393 -24.022 -2.483 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 5.369 -1.172 3.106 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 -9.012 -16.061 -17.838 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 -10.967 -3.222 3.851 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 3.187 -1.231 -2.250 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 6.463 -15.778 9.617 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 -4.221 3.569 -7.617 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 -0.457 -1.166 3.663 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 -12.010 2.558 3.693 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 12.580 7.761 3.684 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 3.130 -3.945 3.003 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 5.752 -6.339 -4.926 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 -2.691 5.151 17.612 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 6.964 6.313 4.584 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 19.381 6.011 9.523 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 8.316 2.815 -7.788 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 -3.196 -1.161 3.722 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 18.973 -12.798 -0.367 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 -29.658 10.953 11.011 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 -5.082 -2.855 -0.881 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 -12.250 -0.548 -16.237 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 -12.022 8.452 13.573 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 -3.295 -3.137 -1.009 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 -11.571 -1.777 0.690 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 10.376 -5.138 -2.241 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 -6.571 -6.347 -5.962 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -17.423 -1.876 -12.725 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 1.337 -16.478 -3.397 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 -1.785 4.644 4.829 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 8.861 -8.414 13.575 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 7.904 -1.149 -16.864 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 7.150 -1.442 -0.549 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 -23.559 -0.278 -4.971 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 -24.746 -0.884 -2.819 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 7.735 -5.496 0.413 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 -1.421 -13.171 -12.867 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 -15.310 -7.065 -10.551 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 1.029 2.035 3.812 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 9.401 16.372 12.497 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 -7.627 -8.787 7.796 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 -0.890 -7.424 -0.480 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 -5.365 1.952 -15.717 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 -24.406 -6.068 -15.905 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 3.295 -1.148 8.324 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 -26.880 -0.148 -1.588 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 -5.695 1.903 6.196 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 6.889 2.151 -1.222 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 9.771 1.444 2.058 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 -1.098 -6.832 9.751 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 3.545 0.398 -0.729 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 9.693 21.730 2.537 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 1.143 -12.231 -8.260 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 0.494 -1.546 0.574 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 -3.460 -1.125 -7.101 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 6.648 -3.593 -14.807 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 -2.010 2.198 -2.633 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 46.599 -18.957 -3.398 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 31.677 -11.622 -5.224 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 0.657 -4.960 -5.565 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 4.151 -7.143 -0.926 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 -3.219 -3.108 -3.222 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 2.213 -0.632 7.047 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 5.565 -1.125 4.789 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 -0.159 0.888 4.243 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 -3.704 1.489 -1.385 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 -24.587 7.716 3.844 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 -18.285 9.279 4.686 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 -1.838 4.062 -0.163 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 -7.559 -6.579 10.969 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 16.031 -17.151 -17.547 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 -5.098 -6.519 1.352 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 -25.112 -4.083 -0.255 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 1.595 9.400 -2.052 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 -4.064 -1.792 3.444 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 -10.249 5.847 21.122 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 12.922 5.084 0.179 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 -5.854 -1.582 1.047 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 5.210 1.487 4.297 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 -14.774 6.440 7.102 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 3.736 -0.697 -2.886 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 -3.977 -17.203 -1.463 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 13.437 -5.529 -18.400 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 -2.413 1.732 2.308 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 15.148 -1.255 -1.267 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 -1.407 -9.416 14.293 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 0.033 -0.387 -5.662 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 3.216 -5.217 -0.790 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 -8.956 -5.051 8.276 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 8.651 1.296 2.036 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 6.679 11.108 -23.611 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 22.785 17.382 11.380 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 0.303 -4.185 -3.769 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -12.297 6.263 13.851 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 5.873 -9.046 -11.580 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 2.977 -4.509 -1.461 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 -1.736 -26.576 -9.950 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 4.324 -12.125 -3.812 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 -5.338 -5.140 -4.569 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 -1.181 18.123 -11.161 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 -5.952 -6.600 -6.643 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 6.066 1.985 5.725 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 -7.457 7.252 -32.016 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 0.656 7.726 -0.599 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 3.169 -4.961 -3.252 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 -5.741 -0.479 -16.170 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 14.318 0.169 -14.493 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 1.532 -2.481 -2.129 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 -6.037 15.423 -5.027 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 11.921 -17.661 0.370 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 -5.344 -3.329 -1.216 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 -10.276 4.479 6.772 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 -7.021 5.653 5.104 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 -3.457 4.663 -2.919 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 5.092 -8.908 -11.132 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 -12.128 1.662 11.993 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 -2.666 -0.071 -0.085 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 -1.116 -12.267 -7.798 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 -15.214 34.214 28.977 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 2.872 3.121 -6.178 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 13.197 15.111 -7.912 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 0.413 0.568 -3.529 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 -1.942 8.498 -4.212 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 14.268 15.895 -11.800 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 18.388 -5.606 0.383 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 -0.846 -0.936 -0.247 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 -18.703 -16.396 -7.277 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 18.678 14.096 7.916 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 2.380 1.308 -5.585 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 7.673 -3.847 0.061 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 -4.577 10.048 -15.495 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 -7.657 2.306 -4.499 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -6.840 9.980 0.512 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 -11.440 2.052 -4.489 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 2.204 -0.294 -2.309 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 -6.119 -0.838 -13.785 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 11.719 1.614 -5.346 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 -1.437 -2.306 -3.862 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 -0.716 -20.748 12.287 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 -6.984 -26.190 1.687 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 0.587 -1.096 -2.255 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 5.591 -1.797 2.742 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 8.782 4.151 9.165 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 -5.525 7.589 -6.887 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 -14.770 29.688 -8.314 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 2.931 -12.940 28.412 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 -3.797 -0.025 2.264 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 -1.160 2.176 3.327 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 -4.007 -0.041 -0.226 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 5.008 -2.358 -4.151 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 11.801 -5.066 -19.721 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 8.952 -3.764 4.047 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 2.956 -6.387 0.414 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 -19.325 -11.066 -4.684 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 4.951 12.146 -20.543 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 -1.094 -5.206 3.982 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 8.893 -4.090 6.311 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 -15.255 -9.015 -2.462 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 4.081 3.874 -2.270 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 6.280 -5.542 27.058 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 -3.148 0.083 17.071 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 -0.883 -1.064 0.399 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 12.440 -23.161 -9.854 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -3.515 -0.711 3.826 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 -0.025 -3.343 3.703 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 -14.059 16.786 -10.161 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 23.984 5.968 3.212 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 0.474 -4.123 3.640 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 -5.433 3.666 9.680 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 10.108 3.369 -3.446 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 3.133 -0.457 -5.992 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 3.662 16.532 -9.517 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 -5.754 -15.218 -9.041 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 9.437 1.691 -6.228 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 9.364 21.268 9.992 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 -15.522 4.487 -2.701 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 -1.022 3.519 -1.775 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 -0.747 6.268 -1.824 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 3.208 4.903 -1.720 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 0.809 0.584 -2.646 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -0.974 3.298 -0.532 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 -1.283 -0.889 10.149 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 2.224 1.325 -1.240 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 16.312 5.230 -12.566 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 -12.286 -10.568 0.483 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 -9.167 1.801 4.635 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 -14.955 14.526 2.135 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 -10.782 4.014 7.722 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 2.364 -4.405 -0.922 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 14.188 -1.847 -5.309 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 -13.871 -15.607 0.538 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 1.056 -1.257 -4.835 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 -3.653 -3.316 -5.885 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 21.783 9.097 -3.322 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 0.053 2.301 7.255 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 6.125 5.074 11.610 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 1.770 -3.918 -3.837 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 5.363 -0.053 -5.078 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 -14.820 7.815 11.397 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 -4.922 -8.050 -10.708 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 -1.366 1.882 3.775 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 -0.360 1.216 3.199 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 -3.299 -0.358 -0.263 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 0.210 -1.199 -0.239 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 -1.277 1.230 -3.457 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 6.067 7.870 8.917 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 1.717 1.690 1.112 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 10.310 -3.217 2.001 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 -2.139 6.276 -0.269 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 1.182 7.530 -1.819 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 2.495 -17.009 9.152 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 -0.993 3.066 3.232 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 2.852 1.666 -2.840 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 16.508 -21.100 -9.476 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 -3.012 7.927 -11.315 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 -4.873 -0.356 4.366 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 -6.910 19.174 -12.638 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 1.097 -18.669 -10.765 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 0.863 7.336 -3.194 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 -19.618 -20.098 -16.300 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 14.972 19.523 9.832 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 5.605 -0.912 -2.195 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 32.672 3.853 -22.889 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 -12.945 -6.321 3.548 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 6.459 -0.205 -3.867 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 -3.864 6.681 3.763 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 18.436 0.014 9.709 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 3.358 0.676 -5.285 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 -8.668 -10.565 -9.347 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -0.428 -0.138 -2.831 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 -3.931 -0.282 7.590 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 0.607 -1.058 5.672 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -0.231 0.260 -5.883 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 3.207 -8.027 6.951 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 2.626 -8.044 6.618 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 7.395 -6.754 4.828 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 -5.371 5.810 -1.631 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 -3.745 3.129 9.435 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 -5.203 27.815 2.458 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 3.799 -3.613 -0.785 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 14.149 6.453 -10.435 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 -9.927 -16.131 13.743 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 -3.355 12.869 -2.837 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 8.665 31.805 -10.726 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 0.384 -18.437 -5.379 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 2.019 -3.250 -1.029 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 4.542 3.681 5.127 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 -11.095 -13.292 8.251 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -3.580 -3.306 -5.370 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 -0.835 -18.726 5.832 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 -7.533 -13.521 -15.346 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 2.705 -9.342 6.385 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 12.206 -7.441 -5.269 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 5.084 -2.231 30.064 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 -0.079 -1.078 -0.553 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 -9.357 -3.131 8.910 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 4.813 8.480 -2.618 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 4.251 1.180 6.017 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 7.759 -23.314 -9.115 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 -21.711 -9.513 1.143 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 2.799 -4.926 11.946 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 -6.049 -15.521 -33.546 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 18.261 0.976 10.892 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 7.213 -1.367 -3.490 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 0.267 -12.426 31.060 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 -6.381 -4.078 6.305 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 -3.421 0.478 -2.727 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 5.279 14.667 -29.307 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 16.319 -6.951 -7.161 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 0.009 1.507 -1.667 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 -2.643 -13.721 -6.246 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 4.497 10.480 3.454 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 -1.012 1.419 0.782 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 -4.708 1.911 1.922 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 -2.616 3.183 -4.009 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 5.372 0.725 -5.369 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 7.200 -1.300 -8.376 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 9.059 1.553 -6.045 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 -1.534 -5.627 3.713 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 7.897 -17.488 -7.752 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 -21.317 16.737 -14.859 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 3.058 -2.079 -0.345 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 -2.573 0.922 7.084 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 8.869 11.342 -17.693 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 2.370 2.612 1.749 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 -3.475 9.916 -8.279 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 7.812 -3.271 10.041 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 5.129 3.225 -0.438 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 10.894 -0.318 8.814 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 -1.554 21.295 4.127 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 -2.286 -4.591 -6.773 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 2.151 2.566 10.908 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 -14.991 -5.700 -2.476 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 8.631 -3.923 4.781 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 7.733 2.106 5.395 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 1.170 -16.880 5.214 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 -0.720 1.247 -0.029 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 0.106 5.441 -5.966 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 -5.680 -8.315 -3.215 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 7.770 -1.392 3.499 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 5.415 -12.425 -13.251 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 22.537 -9.924 1.097 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 1.132 -0.714 4.392 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 4.215 -6.238 4.383 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 -2.177 -8.893 4.641 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 7.203 6.686 7.163 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 9.556 0.752 -3.403 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 24.500 6.060 -7.547 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 0.464 -2.071 5.402 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 7.178 5.208 10.124 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 -8.142 4.574 0.638 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 3.584 1.746 0.334 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 26.236 -25.897 -23.769 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 6.101 -11.110 -8.583 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 -2.335 -4.431 -5.137 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 16.715 3.546 -12.060 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 -19.909 6.711 -6.717 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 -6.218 -1.329 -1.911 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 1.080 5.552 0.042 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 -4.190 -3.824 -9.519 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 -3.241 3.438 7.701 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 -11.555 35.858 16.624 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 -6.468 7.821 -25.767 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 2.034 4.155 -0.114 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 2.182 -9.274 -14.171 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 4.435 -20.053 -14.462 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 -1.459 -1.822 2.481 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 11.934 5.476 3.633 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 -10.370 -4.717 -3.241 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 -2.496 -7.388 -1.423 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 1.075 -2.242 -4.945 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 -20.160 -6.227 0.419 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 0.979 4.297 -8.302 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 -1.656 -8.201 11.748 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 -1.912 -7.858 7.369 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -3.396 -4.219 -0.662 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 -2.332 -11.039 -14.285 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 0.995 -3.843 -16.445 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 -0.705 -1.164 -2.451 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 -8.524 6.495 -4.107 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 -3.084 4.704 -1.437 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 0.443 -0.255 6.616 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 -11.130 17.771 14.101 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 1.877 -10.272 24.512 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 -3.178 -4.941 5.288 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 -7.552 -5.282 -1.397 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 -18.300 1.827 8.716 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 -2.878 -0.024 9.174 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 -10.576 25.006 3.973 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 10.385 -10.936 19.254 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 -0.759 5.192 -4.130 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 -4.704 -5.450 -19.656 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 3.126 -5.802 11.442 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 8.052 -4.704 -5.081 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 -2.525 -25.245 5.399 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 9.996 0.436 2.628 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 4.474 6.881 -0.347 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 20.987 -19.720 14.575 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 -20.017 -25.464 3.475 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 1.833 -0.138 9.517 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 22.677 -6.829 -8.581 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 -13.316 -10.652 -2.310 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 -3.371 -1.649 5.733 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 2.568 -1.076 1.207 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 -5.626 -9.439 0.176 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 -2.478 -1.103 -3.535 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 -9.326 4.633 10.738 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 -2.681 -9.820 -7.803 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 4.756 3.523 -0.120 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 9.837 -13.854 -20.484 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 11.803 12.785 16.365 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 1.769 -3.271 3.568 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 26.070 -31.538 2.401 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 -4.916 15.288 14.873 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 -1.349 0.374 4.630 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 -21.535 -6.972 -3.233 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -14.704 -9.038 -25.051 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 -0.809 -6.887 -2.809 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 -42.214 9.949 -2.308 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 -17.515 6.223 -0.438 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 2.185 -1.701 0.634 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 3.941 9.242 17.300 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 7.468 0.264 2.984 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 2.018 7.487 -4.392 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 6.565 -8.838 -1.689 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 -9.054 -13.789 8.533 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 -4.799 -9.384 5.271 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 -0.276 6.340 -13.215 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 -11.040 -0.687 -31.881 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 -2.244 5.758 2.205 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 2.936 2.976 -21.665 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 27.147 16.329 7.512 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 -1.889 4.305 4.018 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 -11.246 5.330 -12.161 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 -14.074 -1.087 14.293 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 10.042 -5.815 2.359 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 -4.507 -23.250 -6.107 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 -8.042 -6.119 -13.868 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 -1.589 -3.931 -0.305 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 9.643 7.379 2.862 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 -10.444 -17.059 7.400 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 1.532 3.039 1.221 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 5.670 -6.777 9.190 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 -8.860 18.794 29.576 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 -0.852 -2.086 -4.263 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 -14.630 -5.112 9.589 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 11.284 5.157 -13.782 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 -3.915 6.395 -4.297 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 -11.644 -13.446 -6.541 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 15.168 12.954 3.627 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 -0.764 -1.858 -2.921 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 -6.050 -3.230 -2.588 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 4.973 -3.689 -0.884 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 1.971 1.235 0.605 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 4.209 -5.629 7.819 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 9.716 -7.607 8.829 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 8.293 6.536 -5.313 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 -4.258 9.589 -12.233 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 -9.568 11.740 -13.556 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 8.901 2.041 -7.732 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 17.510 -9.037 14.352 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 2.111 -14.048 4.795 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 3.867 -7.955 -1.645 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 1.136 -19.137 -26.836 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 23.198 -11.896 14.778 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 -4.549 -3.744 -1.401 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 1.408 -12.350 -1.055 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 -13.515 -6.585 -6.319 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 -2.263 -8.792 0.418 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 4.148 6.750 -1.086 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 -5.382 -25.225 -2.184 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 -0.272 2.100 5.867 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 7.473 5.417 -4.953 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 -10.167 -7.075 12.238 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 4.754 5.497 -3.048 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 19.568 -3.233 -23.117 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 9.766 26.600 -8.983 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 -0.401 -4.386 0.576 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 -14.298 -4.653 1.653 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 23.186 -4.323 -0.340 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 2.110 -0.063 0.113 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 2.395 13.715 -7.657 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 10.843 6.063 -1.788 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 1.687 -0.900 2.514 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 19.570 20.122 -1.571 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 -29.955 8.012 14.026 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 -3.906 4.526 -0.918 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 18.095 16.744 9.363 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 13.119 8.395 3.964 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 1.575 -6.894 -10.027 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 8.635 -4.046 34.148 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 -11.176 -0.482 -2.044 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 1.507 -2.681 -0.545 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 -3.605 -28.113 9.991 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 8.616 33.021 -14.745 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 1.852 -11.520 -1.247 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -7.499 -28.274 -22.418 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 19.096 -10.601 11.388 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 -2.573 1.523 -0.135 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 15.901 -11.414 -12.568 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 0.456 6.115 10.403 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 -0.877 -0.925 3.390 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 7.042 14.692 10.733 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 3.135 6.535 -16.954 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 4.318 5.644 2.431 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 -15.183 25.562 -9.231 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 1.707 8.438 1.450 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 4.679 -2.031 2.053 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 9.136 21.911 -9.583 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 -0.458 -17.062 -21.208 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 0.138 1.270 2.241 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 -2.653 -3.424 -9.114 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 -16.944 -4.878 10.101 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 0.649 -2.782 -1.516 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 28.679 15.406 -24.115 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 -12.765 23.596 -9.971 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 -7.418 1.311 -4.402 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 -2.094 9.034 0.606 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 -7.182 -8.216 -3.966 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 3.325 -3.164 0.852 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 -4.215 14.961 24.230 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 -4.493 -20.691 -6.863 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 -0.844 -3.451 2.325 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 -4.855 -5.893 4.276 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 -1.582 -2.159 -1.320 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 -2.523 -8.033 -0.131 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 16.138 -16.372 -7.721 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 4.165 -8.921 -13.860 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 2.812 1.602 -4.685 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 -16.879 -15.821 6.101 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 12.780 14.034 -10.531 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 6.179 -8.097 4.088 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 6.340 4.147 -3.748 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 10.084 -2.346 -8.775 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 -2.600 1.156 -2.289 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 -19.793 12.306 -3.353 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 -11.974 0.400 -12.190 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 10.919 2.702 2.011 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 5.287 -2.819 -7.497 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 2.947 4.136 5.909 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 -1.511 1.382 -0.452 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 -0.188 17.232 -18.927 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 14.006 -14.795 -6.082 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 0.157 2.579 -1.148 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 20.189 9.199 1.696 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 -10.238 18.126 7.454 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 4.180 6.657 -1.427 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 7.353 -3.382 -4.429 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 7.608 -3.226 -4.531 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 -0.312 -4.425 -0.688 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 4.799 3.843 -10.091 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 3.083 6.952 15.056 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 3.538 -1.210 -2.678 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 7.245 14.614 2.234 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 6.539 -17.402 -0.501 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 -4.064 2.948 2.568 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 -2.625 14.084 17.970 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 5.345 -16.490 0.649 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 -4.108 -4.644 6.251 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 16.547 -2.575 -17.810 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 -4.014 2.342 -1.762 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 -0.833 -10.429 4.619 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 -7.307 -15.385 4.956 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 3.100 -6.039 -14.882 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 -1.595 3.275 4.520 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 -2.592 -0.279 -3.483 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 7.971 3.110 6.709 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 -0.951 -4.603 2.986 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 3.533 10.551 3.073 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 5.934 23.547 7.368 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -6.816 -6.963 3.289 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 -7.446 -15.101 -4.615 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 -3.843 -1.707 -33.350 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 3.731 7.647 5.111 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 4.454 3.886 4.230 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 16.521 -3.949 5.345 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 0.703 3.681 -2.631 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 -15.434 4.070 5.883 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 -12.921 -18.945 -6.208 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 7.154 0.614 1.811 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 12.304 -9.183 -6.723 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 -0.219 18.698 21.420 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 0.719 -4.975 3.368 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 6.427 -9.300 -7.959 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 -34.610 7.868 -0.933 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 -0.583 2.081 3.242 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 -6.955 -1.546 -14.241 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 -9.844 17.467 -0.121 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 -2.243 7.799 4.920 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 0.877 11.955 -12.872 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 -11.228 -3.795 6.857 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 -2.908 3.066 2.698 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 8.381 6.083 -1.829 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 7.063 -9.483 1.741 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 -0.579 -2.211 0.868 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 1.861 -10.429 4.090 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 7.719 3.397 5.973 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 2.351 -1.324 -3.182 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 10.363 -2.805 6.877 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 -12.950 -15.532 8.126 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 4.943 -2.221 0.164 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 17.397 5.080 -5.815 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 -25.609 14.457 -19.720 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 9.363 3.568 -2.435 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 3.311 -1.302 -1.731 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 6.885 10.030 8.060 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 -3.986 -2.611 1.572 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -1.544 0.177 21.103 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 -6.077 1.117 -19.251 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 4.307 0.089 -3.164 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 1.468 -8.799 -1.310 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 12.561 -1.806 -5.773 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 4.085 5.460 2.779 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 5.877 0.912 -2.976 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 17.757 -23.700 -15.097 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 -4.624 -3.317 0.259 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 13.466 5.543 4.205 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 -3.955 -7.064 3.682 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 -1.658 3.817 4.513 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 -2.119 -3.885 14.881 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 3.121 -2.008 7.401 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 -9.682 -2.087 1.565 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 -7.573 -7.811 -5.642 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 -0.033 5.245 6.395 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 0.817 2.827 1.931 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 -7.662 11.849 3.962 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 16.536 3.866 25.950 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 4.550 1.203 9.947 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 4.445 8.871 5.854 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 4.357 5.686 5.254 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 4.883 -0.772 1.306 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 -12.026 -6.292 0.460 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 5.839 14.486 -8.867 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 -0.494 -4.746 2.026 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 29.820 0.577 9.121 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 -15.575 -14.335 25.035 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 -8.307 -5.581 -2.525 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -12.899 -4.274 -10.691 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 -18.577 -5.020 -24.927 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 2.693 -0.902 2.534 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 -24.528 -9.395 4.203 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 22.352 -3.817 -4.409 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 0.343 -1.295 -5.281 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 1.098 0.285 -0.590 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 16.170 5.690 14.736 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 9.075 -2.138 -1.239 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 -23.680 12.916 -4.118 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 -0.785 1.840 -0.753 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 2.121 -0.839 -0.822 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 -4.280 -3.027 0.957 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -6.729 -3.254 -11.470 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 2.391 -3.631 -2.560 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 -3.672 -12.823 17.439 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 -3.771 23.118 3.506 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 2.538 4.299 -0.587 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 15.374 0.331 17.775 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 16.195 1.122 -3.533 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 -7.050 -1.932 0.483 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 24.453 0.772 2.303 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 -3.045 7.831 -19.174 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 5.343 5.869 -4.255 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 -27.339 1.977 -7.159 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 18.468 1.536 -5.594 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 -0.437 -6.338 -6.270 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 -17.525 7.220 -8.679 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 11.973 -15.227 -4.906 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 3.479 -4.976 5.586 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 28.640 2.403 6.095 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 1.654 -1.681 -1.936 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 2.230 1.956 2.344 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 -5.444 3.935 -6.462 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 -2.359 5.333 9.847 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 -0.031 0.638 2.397 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 -10.597 9.314 -17.448 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 11.173 -15.036 -4.422 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 4.649 -1.809 -2.858 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 2.745 5.218 4.431 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 -23.444 6.415 22.800 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 1.967 -0.807 0.236 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 8.294 -6.275 8.177 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 -8.022 2.804 -21.024 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 -2.817 4.165 0.270 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 7.573 -6.168 10.783 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 -9.921 -13.636 -9.825 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 -1.048 0.598 4.447 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 1.489 10.247 1.770 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 -4.292 1.601 -1.308 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 0.736 1.605 4.555 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 -0.468 -19.497 7.413 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 3.167 27.030 -9.155 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 7.000 2.040 -6.928 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 24.203 12.631 -27.710 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 9.488 3.717 5.541 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 0.324 1.431 4.979 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 -27.215 -4.631 15.087 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 -12.765 -1.926 10.997 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 -2.655 0.857 1.530 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 -7.198 6.472 -2.071 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 -17.514 1.976 8.666 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 3.882 -6.442 -3.786 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 24.722 18.377 21.286 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 -4.416 -12.401 19.397 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 3.828 -0.929 -2.756 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 13.811 -5.670 12.212 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 -0.312 7.834 -31.331 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 -4.484 2.329 -2.856 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 3.540 -4.007 -3.102 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 -5.799 7.128 -1.702 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 -1.583 3.801 0.691 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 -6.544 5.428 13.580 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 -0.170 9.074 8.561 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 -3.436 0.303 -4.098 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 -2.430 -9.762 -8.082 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 -5.593 7.178 -15.995 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 1.518 1.864 -3.955 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 10.699 -18.878 -14.736 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 -3.575 -29.976 -11.730 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 -8.309 6.643 3.103 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 -12.150 8.751 -0.188 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 -8.236 9.780 7.204 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 -0.600 -1.674 1.640 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 19.179 21.738 -3.782 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 -12.488 -6.354 11.076 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 -2.799 -4.369 -0.058 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 -20.622 0.012 6.393 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 5.155 -4.675 -0.578 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 -5.322 5.322 4.980 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 -0.955 17.843 27.137 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 -9.655 -20.061 11.940 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 -0.487 -6.987 -3.242 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 18.375 -1.205 -14.207 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 9.616 -0.435 -1.196 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 -1.880 1.299 3.348 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 14.241 12.117 0.785 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 -7.620 -2.163 -2.754 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 -0.608 0.731 4.593 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 5.568 -8.906 8.710 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 -0.577 2.523 9.211 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 -1.607 -0.301 5.320 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 -6.235 7.198 13.856 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 -2.218 -18.979 29.490 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 2.974 0.753 -0.128 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 13.367 15.539 -1.073 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 5.725 -6.849 15.591 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 -3.912 0.890 -3.728 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 13.925 3.593 -22.811 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 -24.160 4.483 0.771 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 -0.843 -2.560 -3.931 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 2.215 8.893 -14.598 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 8.535 -15.500 -6.263 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 -4.524 -4.570 1.355 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 -3.138 -6.344 3.201 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 -4.341 -4.699 -2.664 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 5.322 -4.661 -3.042 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 2.837 -10.862 10.852 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 -14.409 4.890 6.896 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 1.009 -2.191 2.173 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 4.194 1.460 -9.772 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 -8.919 4.201 5.389 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 -1.856 1.293 -2.349 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 4.123 6.290 3.464 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 5.877 7.691 5.324 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 0.492 1.315 5.259 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 8.441 1.804 1.964 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 -2.620 7.096 7.815 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 1.975 -1.534 1.003 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 -2.155 -11.072 4.913 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 -7.500 3.361 -6.497 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 3.522 1.046 1.452 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 3.431 -7.714 -6.944 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 -2.107 -1.266 4.873 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 2.632 1.980 -4.665 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 3.992 -3.246 8.246 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 4.311 -2.141 6.236 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 1.989 -5.297 2.032 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 -16.524 -12.131 24.617 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 10.067 -3.306 -5.884 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 -6.394 -6.157 0.998 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 -1.568 -4.395 8.745 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 -10.601 5.435 -18.714 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 0.718 -3.793 3.372 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 -9.268 -17.931 -11.280 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 10.619 -8.542 20.133 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 -3.099 0.968 -0.853 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 -15.507 1.126 10.687 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 1.018 4.530 -17.944 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 -2.857 -1.661 0.347 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 -9.621 -2.538 3.897 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 -0.142 -1.852 -0.811 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 -7.086 -0.278 -3.261 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 12.548 10.450 -23.408 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 -5.105 3.932 2.100 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 3.496 2.984 -1.678 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 -1.674 8.928 10.221 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 4.600 8.656 -5.274 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -0.911 5.910 5.854 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 -3.612 -1.065 0.943 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 -9.253 8.443 -16.159 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 -2.094 0.869 -2.356 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 7.974 15.764 4.445 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 -7.916 -17.276 0.303 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 -0.989 -2.991 -1.110 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 25.061 -26.555 -0.599 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 2.917 -2.843 0.224 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 0.438 -3.888 2.094 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 11.412 3.326 19.274 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 -5.638 -9.505 6.643 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 -1.840 -1.667 -1.140 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 15.876 -11.214 1.413 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 6.776 19.293 -2.544 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 2.725 -1.331 1.221 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 14.552 10.243 -8.561 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 1.910 -20.125 -8.923 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 -2.286 -2.998 0.899 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 4.559 -12.318 -3.995 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 -5.099 -5.975 3.323 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 -0.588 -1.102 3.429 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 19.007 -22.245 -6.618 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 -22.755 0.137 -2.865 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 0.596 0.460 -6.606 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 16.128 -8.837 -4.591 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 -4.599 -4.999 -0.825 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 -0.647 -4.055 0.280 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 5.022 -1.363 -0.380 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 -2.042 -2.732 6.133 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 4.015 1.666 4.328 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 1.653 10.057 24.128 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 -7.532 -0.691 2.014 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 -5.478 -4.950 0.123 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 -8.671 -6.778 -1.768 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 6.386 2.754 -14.685 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 2.643 3.300 6.251 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 -17.724 -3.424 20.644 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 -9.330 -3.104 14.306 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 0.982 -5.040 0.624 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 3.926 -14.414 7.956 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 -2.391 8.773 -14.461 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 1.671 -1.215 1.845 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 -27.942 13.655 6.455 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 -1.308 0.696 4.853 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 -1.145 -4.441 4.313 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 20.571 7.731 19.087 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 -23.767 15.476 16.819 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 1.157 -1.332 -2.746 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 -12.463 -11.153 -18.409 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 16.815 3.270 -9.743 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 2.817 2.204 2.658 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 8.846 2.714 -0.588 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 11.262 -1.527 -7.085 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 3.155 -3.657 -1.923 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 -7.852 -13.926 -17.288 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 -0.643 -6.475 0.640 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 -1.657 -1.346 5.339 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 -32.481 2.005 18.655 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 -8.960 -3.349 -6.249 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 7.809 0.122 -3.013 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 23.617 10.056 -6.133 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 -7.105 -14.933 -4.213 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 2.113 0.270 -3.655 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 -0.761 14.774 17.501 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 22.574 0.372 -12.608 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 9.180 -5.283 2.736 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 16.638 -3.854 1.821 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 -8.529 -8.990 2.077 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 2.635 1.372 4.623 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 -3.646 -4.922 -7.088 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 32.185 -12.123 -15.055 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 -1.648 1.115 2.581 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 4.515 3.969 0.723 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 5.644 7.098 12.430 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 -10.687 3.044 0.591 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 5.732 0.360 6.199 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 -27.836 0.505 -7.021 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 2.049 -6.376 5.606 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 0.781 -20.710 9.106 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 3.105 2.091 3.239 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 3.174 2.381 -0.630 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 1.373 -0.042 -2.232 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 -1.379 -4.077 -6.689 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 -3.585 -3.658 0.858 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 -10.602 -10.056 4.607 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 -11.450 -10.756 5.767 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 2.332 -0.446 -6.376 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 8.427 -6.217 -15.913 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 -4.229 -16.043 9.336 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 -2.833 -7.961 4.994 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 -38.678 -20.580 11.242 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 -15.170 -27.206 14.372 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 -1.781 2.801 0.572 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 23.020 -9.011 7.416 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 -1.244 16.359 -0.821 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 1.143 3.385 2.298 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 17.427 5.842 23.364 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 0.586 -0.458 10.279 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 -0.130 -2.150 4.308 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 14.264 7.827 -8.413 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 -15.345 8.751 12.852 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 1.745 -4.230 -1.675 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 3.667 -7.140 -30.439 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 -10.433 -25.295 -4.301 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 1.539 2.309 5.977 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 20.949 8.409 -29.021 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 18.998 19.988 0.677 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 -2.528 -2.510 -1.075 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 -9.364 -14.276 -26.375 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 -14.595 6.077 0.218 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 0.070 -3.314 5.114 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 -3.624 -7.357 10.750 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 2.788 -16.048 17.997 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 -2.424 -0.977 5.526 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 -5.085 -12.943 7.289 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 19.254 -8.963 4.596 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 -4.604 1.577 -2.233 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 5.391 21.439 25.644 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -35.806 -13.483 3.395 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 -2.811 7.505 -6.544 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 -12.611 -7.017 -6.774 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 -1.344 16.241 8.199 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 2.292 -3.292 -3.252 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 17.690 4.006 2.214 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 -6.244 -3.546 -8.095 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 -3.137 -5.954 -1.837 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 -11.029 -5.778 -11.327 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 -4.573 -1.537 -11.405 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 0.468 2.935 3.170 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 1.253 -0.367 -8.947 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 -18.383 17.892 6.254 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 -0.500 -2.646 2.647 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 9.302 -7.801 0.814 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 -5.369 4.179 4.368 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 -3.035 -0.234 0.055 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 -4.475 10.807 16.071 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 -2.784 -3.951 7.840 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 -4.537 -2.711 -0.855 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 -16.710 -6.679 0.990 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 -2.966 1.553 -13.411 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 6.140 3.178 1.698 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 13.920 8.806 -2.217 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 -2.930 17.429 3.058 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 8.025 0.545 6.256 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 8.776 0.751 2.849 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 11.256 -6.905 6.724 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 0.413 4.298 -9.334 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 -5.900 6.882 0.721 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 5.726 15.914 -10.988 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 -3.327 2.249 4.199 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 0.596 4.548 1.746 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 -9.433 -3.780 15.138 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 -1.312 -1.583 6.253 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 2.031 32.025 -17.867 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 2.934 -1.550 8.909 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 -0.452 -7.110 -2.193 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 -0.178 -8.087 -3.524 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 7.761 4.744 -5.080 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 -4.483 2.530 -5.229 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 20.258 -14.958 7.562 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 19.258 -12.170 -22.123 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 3.422 3.893 -6.450 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 16.166 0.159 -1.283 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 10.493 -9.727 -2.636 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 -5.055 -0.773 2.507 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 -4.043 -5.632 -15.145 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 -11.008 -19.024 -2.706 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 -0.351 3.628 -4.866 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 -6.151 -4.074 -16.278 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 -0.134 6.249 -1.705 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 -3.412 1.183 -6.956 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 0.116 10.405 -0.818 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 -2.887 -12.461 -12.027 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 -4.232 6.496 3.682 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 6.751 2.566 3.373 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 -6.347 8.359 -9.090 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 1.379 -5.400 -2.871 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 2.630 -5.414 -4.409 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 1.865 -4.634 -0.898 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 3.262 -3.250 -1.409 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 -19.174 -12.880 2.993 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 -11.622 15.031 -20.163 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 -4.365 -6.462 -7.677 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 -26.627 -13.033 16.825 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 12.941 -36.337 -18.190 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 1.182 0.732 1.953 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 0.246 1.958 4.292 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 3.205 -3.493 -3.256 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 1.734 2.151 6.793 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 -23.722 -5.597 33.898 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 -17.669 -0.187 -24.484 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 12.969 -1.811 -5.379 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 -16.626 21.603 -7.574 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 -13.960 -10.268 6.678 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 5.581 4.378 -0.544 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 -3.531 1.469 6.059 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 6.986 19.611 -4.657 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 -0.073 -5.220 -0.514 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 6.875 -8.765 -13.275 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 8.413 -10.286 -19.859 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 4.260 -3.861 -1.320 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 4.279 11.023 4.513 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 -24.731 -8.028 -25.194 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 -2.781 11.570 -4.404 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 2.332 -1.863 -12.443 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 5.286 12.479 7.736 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 0.861 -2.455 -1.200 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 -12.128 -3.946 -8.459 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 5.571 -11.658 -18.649 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 -5.652 3.794 3.444 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 -6.161 3.048 -21.451 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 10.909 5.289 -3.658 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 3.711 1.582 3.909 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 -9.281 -1.816 28.070 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 -11.123 -7.747 8.225 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 -0.589 3.093 -3.572 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 -3.910 -24.254 8.903 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 -7.873 -15.241 16.766 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 9.304 -2.790 2.828 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 -10.109 7.943 -3.940 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 5.858 -6.004 1.961 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 2.792 3.034 -7.520 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 8.544 13.492 -8.099 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 2.687 -3.136 -13.025 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 -1.613 0.683 -1.503 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 0.925 -3.347 -3.421 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 2.191 -0.246 -4.578 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 -3.553 -3.320 -9.694 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 9.208 13.583 -11.838 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 28.269 18.881 13.810 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 5.018 1.509 3.160 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 -3.121 9.044 -1.831 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 -8.373 15.594 16.920 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 -3.847 4.806 -4.091 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 -3.111 9.150 24.176 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 -1.602 8.503 -12.564 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 0.378 -3.991 -3.325 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 7.789 12.245 2.436 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 4.357 5.397 -1.316 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 -3.390 3.173 1.063 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 -15.815 6.782 20.082 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 -11.903 1.588 6.305 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 -0.581 -3.267 -5.035 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 3.465 -6.789 -4.376 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 -4.236 -5.859 -11.919 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 0.651 0.288 -7.307 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -1.168 -3.456 -3.136 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 -7.722 8.186 -5.023 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 -1.730 3.379 -1.499 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 -28.689 18.655 1.238 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 8.797 13.387 26.328 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 -2.330 -7.451 5.616 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 18.665 5.215 -7.432 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -1.662 -9.014 -1.840 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 -5.373 4.094 -5.347 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 -5.010 -0.516 10.405 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 -18.951 14.568 -6.909 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 1.636 6.498 -0.252 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 0.787 14.402 9.724 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 16.032 -21.263 15.929 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 3.938 3.562 4.134 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 10.628 -3.441 -2.640 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 -3.717 9.283 9.834 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 -0.735 -5.177 -3.519 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 12.460 -20.166 -6.294 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 -4.640 -3.709 -1.280 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 4.519 1.437 -8.303 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 3.219 1.985 -13.498 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 6.981 0.562 -8.839 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 -3.286 2.184 4.257 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 6.243 11.789 7.979 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 0.144 10.848 5.318 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 0.888 -0.261 -3.825 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 5.177 10.296 -4.432 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 -6.506 -21.055 5.520 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 2.946 1.209 -2.851 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 -11.227 5.880 -7.125 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 -4.970 12.248 5.715 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 2.426 -2.879 -2.277 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 -10.657 22.489 8.134 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 22.288 -24.071 18.417 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 4.452 0.350 -1.063 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 -2.722 -12.256 14.922 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 -10.800 19.510 -13.240 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 2.184 -2.236 -2.830 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 -12.010 -11.676 -8.939 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 -3.150 7.597 10.158 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 -0.215 6.120 -3.098 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 -16.122 -14.040 23.318 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 6.183 -14.175 1.054 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 2.087 -2.993 -0.297 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 -10.898 9.482 0.859 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 27.629 11.280 20.432 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 7.522 -0.911 5.798 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 27.590 9.276 16.158 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 -6.054 -23.222 6.378 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 4.091 -2.241 -1.605 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 -24.062 -1.984 4.732 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 11.762 21.769 -13.578 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 -0.781 -2.916 2.229 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 4.183 -13.839 5.902 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 3.643 8.427 12.831 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 -2.092 -4.299 -8.485 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 10.661 4.741 0.493 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 -13.958 7.016 -19.228 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 3.102 -2.055 -8.435 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 33.867 14.774 7.698 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 -3.418 -2.472 -10.283 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 1.315 7.549 -0.757 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 2.141 0.345 1.315 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 19.821 -16.267 -32.001 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 5.361 -6.762 -3.376 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 18.105 -10.915 0.195 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -5.948 -10.753 -16.957 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 1.548 -3.195 -0.496 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 -7.853 7.148 -12.369 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 11.283 -10.570 12.905 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 1.559 -3.345 -1.903 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 -5.531 11.323 -17.159 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 -6.421 -5.484 -6.744 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 -4.461 -2.374 -3.278 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 15.737 22.385 -22.038 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 -8.237 -6.033 -2.975 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 -0.200 9.337 0.795 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 2.392 -7.931 -1.343 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 -1.594 -7.894 -11.445 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 -3.715 0.554 -0.326 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 0.736 17.407 5.665 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 19.382 -4.297 -0.790 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 -3.463 1.119 0.530 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 3.043 -17.624 -1.630 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 -19.227 1.577 11.375 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 8.388 0.917 -2.268 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 17.379 -16.247 15.535 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 1.483 9.709 22.000 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 1.345 2.469 5.547 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 2.972 3.340 6.252 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 -12.841 -8.640 -3.367 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 3.277 0.926 1.670 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 -9.863 -8.102 -8.468 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 9.851 8.755 7.517 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 4.486 0.594 3.079 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 -14.688 -1.274 0.503 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 10.693 10.274 -14.688 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 -1.877 1.865 -0.871 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 -8.556 -15.157 5.424 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 -5.265 4.885 -22.163 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 -1.738 5.119 -0.517 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 -5.207 7.914 0.858 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 16.779 -10.516 -9.145 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 -5.507 3.654 -2.326 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 -3.473 1.887 4.352 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 -6.082 6.548 -3.518 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 -0.380 -3.308 4.643 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 -11.122 10.489 -27.207 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 30.532 -16.180 -9.464 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 -7.301 -4.786 3.201 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 2.029 -9.052 6.498 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 -2.333 -7.948 -6.234 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 -3.582 1.067 -1.204 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 11.142 -6.449 16.988 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 -16.906 -1.288 -17.909 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 -3.331 0.750 1.981 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 -7.020 -10.708 0.505 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 -19.033 -3.782 13.600 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 -2.441 -1.251 3.169 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 9.676 -3.246 2.214 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 -10.449 1.218 4.286 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 2.606 5.251 1.547 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 1.388 9.301 6.716 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 0.888 5.065 1.009 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 5.151 2.613 5.966 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 -6.858 10.844 -10.241 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 9.431 -26.968 -12.355 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 -6.153 -0.007 9.515 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -21.101 -17.087 -4.350 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 9.015 3.284 16.208 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 -1.557 3.377 -1.388 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 -19.168 13.111 -3.928 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 17.494 3.343 1.787 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 1.234 2.616 0.689 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 -9.727 -6.456 -13.704 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 8.253 -7.103 8.513 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 -4.269 -3.463 1.212 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 -28.084 -12.580 -9.696 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 0.656 8.229 14.783 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 -2.550 -3.394 1.098 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 -6.141 -10.591 6.289 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 -15.124 -0.123 2.167 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 -5.735 -5.239 2.740 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 13.511 -8.356 -9.601 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 -0.668 7.762 19.970 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 -5.033 9.196 -3.533 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 4.351 12.864 -5.133 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 3.962 -1.331 -5.108 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 -4.545 7.739 0.488 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 4.922 -15.295 -4.950 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 -4.424 -25.284 -7.059 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 1.371 3.008 3.337 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 -9.707 -25.816 -7.645 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 -8.060 -7.682 -8.464 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 1.431 -1.348 1.728 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 1.992 -12.427 5.793 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 -11.720 -2.653 -1.656 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 1.890 -4.380 -3.698 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 7.604 -5.014 0.166 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 1.040 15.412 17.373 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 -4.266 3.999 1.229 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 -4.461 -18.998 -12.006 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 9.686 -8.803 20.015 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 1.579 -2.273 -10.697 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 -24.398 -10.391 11.612 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 -2.033 35.852 -1.535 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 2.333 -2.711 0.245 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 10.893 -3.936 1.457 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 -5.341 -7.321 4.882 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 5.936 -2.903 5.306 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 -0.995 7.576 10.330 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -4.679 -7.170 4.829 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 0.143 7.025 2.921 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 -17.468 17.391 19.097 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 -13.224 7.744 0.515 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 1.104 -1.817 -4.321 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 3.999 1.935 -6.545 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 -2.594 1.676 -14.078 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 2.320 2.056 -3.357 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 -14.659 -13.188 -24.088 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 -23.711 -7.285 0.501 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 3.278 -2.722 4.636 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 10.932 -6.203 6.544 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 3.820 6.382 1.645 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 -2.808 1.492 -3.626 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 -2.027 -6.054 12.627 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 -10.450 9.642 3.047 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 -0.364 -4.824 1.933 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 9.056 -27.484 -5.770 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 9.296 9.148 -13.077 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 -0.589 1.196 -2.786 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 6.862 2.392 0.094 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 -10.525 2.890 -1.803 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 3.369 -9.412 -7.206 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 -6.377 6.293 4.768 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 3.534 -0.077 10.736 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 0.330 -0.257 5.221 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 18.417 -8.567 13.639 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 0.922 15.630 5.616 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 -4.284 0.092 0.067 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 25.525 -5.289 4.802 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 3.630 -10.216 -7.163 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 -1.162 -0.416 -0.298 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 -6.524 0.439 2.914 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 3.564 0.223 -9.052 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 0.894 3.823 -1.185 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 18.280 -9.196 14.308 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 5.966 -3.860 11.344 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 3.146 3.851 6.005 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 -2.866 5.396 -6.019 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 0.520 -37.617 -1.695 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 7.379 -1.640 -2.674 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 13.270 -14.046 -9.740 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 6.050 4.529 3.591 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 3.618 -0.474 -0.669 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 5.726 -0.138 -13.941 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 3.557 -4.230 -1.726 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 1.418 4.636 -0.324 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 -23.093 18.416 1.936 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 6.645 14.502 -14.815 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 -2.789 -0.511 -4.802 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 8.524 -4.533 -4.537 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 5.418 -15.562 -8.301 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 -3.498 1.675 -4.859 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 -11.669 -1.643 -17.617 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 -8.592 17.479 -3.490 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 -2.846 0.246 -8.251 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 6.770 -2.746 -11.494 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 -15.937 -6.627 2.444 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 7.889 -5.615 0.521 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 2.564 15.700 3.587 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 13.046 -14.217 -6.649 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 5.993 -0.441 -4.553 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 6.394 0.135 -5.363 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 14.376 -6.490 -16.551 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 2.922 -5.268 0.160 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 5.206 -17.370 8.361 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 2.207 13.544 -22.175 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 -0.098 -2.133 1.267 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 -4.143 8.581 -2.108 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 -3.748 -5.145 10.604 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 0.798 -3.200 1.018 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 1.143 -2.460 -4.745 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 3.211 -4.443 -4.408 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 -2.485 -1.121 1.776 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 3.431 8.751 -16.392 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 14.785 -15.134 -0.909 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 -5.651 1.085 -3.490 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 9.695 8.180 -4.056 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 6.130 6.392 -4.890 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 5.380 2.155 1.331 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 -11.430 -2.590 23.407 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 -13.048 22.194 -17.332 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 -1.598 3.974 1.759 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 10.042 4.002 6.993 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 -21.302 -5.057 12.203 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 2.030 1.124 7.386 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 30.361 -8.475 2.178 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 19.968 -4.747 -2.515 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 1.609 4.313 -4.547 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 16.126 14.507 -2.695 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 5.370 -10.914 0.094 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 0.180 1.430 -2.444 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 -7.749 37.307 4.907 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 0.260 2.614 -1.963 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 -1.397 1.046 0.090 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 -10.738 -3.656 4.942 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 6.708 -8.926 -6.707 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 0.351 -5.189 0.816 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 -0.108 -2.764 -2.957 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 -2.420 -26.415 8.273 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 9.798 2.329 3.252 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 10.809 7.201 -1.266 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 -19.385 -4.990 -3.280 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 1.566 -6.987 1.364 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 16.468 2.590 -5.437 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 32.477 -15.801 -19.489 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 1.941 -2.121 -2.464 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 12.630 -8.156 -16.450 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 -1.658 -0.584 3.836 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 -2.563 -5.552 -8.994 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 -3.043 -6.764 -0.648 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 13.261 20.688 44.456 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 -2.506 3.583 0.928 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 -10.021 -3.786 16.048 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 21.005 1.470 3.456 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 -1.841 8.135 0.366 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 -20.131 -15.546 -13.100 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 7.700 26.795 8.438 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 1.175 6.005 -3.391 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 11.204 24.701 -5.159 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 16.987 3.209 -2.631 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 -5.111 1.713 -1.241 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 -1.542 -19.061 0.180 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 1.457 10.013 18.772 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 0.586 -3.349 3.087 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 -3.050 -4.600 0.601 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 10.386 1.788 8.074 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 -2.332 1.266 3.031 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 -9.143 -0.242 -11.157 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 5.703 1.514 12.511 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 0.378 0.424 3.294 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 2.836 0.727 15.529 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 -7.234 2.980 0.910 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 0.995 -6.775 2.028 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 -5.175 -4.352 4.309 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 -9.087 13.746 -11.771 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 -2.038 2.185 -3.829 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 4.466 17.696 -25.044 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 -0.303 5.564 -10.258 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 3.230 0.181 -1.354 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 2.057 5.673 7.465 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 2.454 -10.306 -17.181 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 -5.546 0.008 1.175 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 13.574 9.363 -7.199 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 -2.571 -17.812 8.939 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 -1.281 -5.010 -1.514 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 -7.913 14.698 16.884 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 -5.895 -1.245 -1.866 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 4.502 -0.383 1.249 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 -1.678 -17.274 -17.424 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 20.098 9.092 -6.557 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 -1.476 -4.907 0.729 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 7.905 -17.284 3.859 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 15.872 8.529 16.981 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 -4.902 -2.790 9.436 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 -21.695 -8.252 2.557 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 7.600 -8.792 6.042 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 -6.713 -1.190 -1.089 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 -17.647 3.578 -5.089 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 0.524 -1.540 1.953 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 -1.290 -0.201 -0.723 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 2.417 11.709 -15.270 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 -0.280 -1.346 4.157 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 -0.160 7.942 -1.701 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 -6.829 -12.386 3.794 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -1.898 11.263 -1.013 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 -4.325 -2.106 -3.049 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 -5.019 3.105 0.538 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 2.918 -5.654 1.581 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 5.321 -2.163 2.939 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 28.355 -19.763 5.591 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 -0.417 0.148 8.382 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 -3.667 0.496 6.965 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 -6.966 1.257 -16.172 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 -4.318 -4.784 -36.331 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 -3.509 1.405 -0.736 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 -2.533 1.338 -1.152 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 -4.290 1.382 -0.046 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 -1.467 2.558 2.112 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 -4.632 1.997 -1.593 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 -7.247 12.761 -15.544 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 -5.133 -3.405 -1.248 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 5.367 -22.636 -3.421 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 -8.341 16.245 -14.844 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 -4.819 -0.065 -1.007 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 -27.494 -1.210 9.636 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 -13.594 -6.532 -6.755 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 -3.976 -2.270 -0.363 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 7.603 11.847 1.641 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 3.627 -10.075 -7.059 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 -3.995 -3.560 4.349 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 16.354 -16.098 -1.871 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 -1.780 -8.387 -12.058 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 -1.978 -0.201 9.622 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 0.468 6.723 13.082 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 -7.112 1.668 -4.210 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 4.246 -4.080 3.218 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 3.096 6.623 2.076 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 -0.424 -1.124 16.544 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 4.519 4.681 -5.948 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 -10.730 6.663 -2.430 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 -16.782 9.764 -1.040 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 -8.196 6.706 -0.003 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 -12.720 -2.478 1.142 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 8.690 -0.511 3.739 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 3.613 1.687 5.696 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 -0.703 9.068 -2.657 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 -4.690 6.635 -5.008 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 -0.411 -1.501 -2.644 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 12.553 10.430 -6.485 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 -20.340 20.994 -4.122 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 4.227 4.094 6.800 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 -2.520 -7.036 -1.438 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 5.436 20.113 -24.792 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 5.251 -0.127 -2.028 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 -7.688 13.318 -38.347 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 0.071 0.802 2.654 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 -1.400 -1.921 2.077 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 -3.695 12.116 -13.807 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 -0.997 16.462 -10.458 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 -1.396 3.336 1.528 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 -4.589 11.801 6.114 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 5.743 13.500 9.969 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 0.451 -5.435 1.650 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 0.109 -13.939 18.019 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 11.436 25.983 -21.217 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 4.718 7.230 -2.513 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 6.658 10.929 -3.266 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 10.066 -1.749 4.612 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 0.312 -2.090 4.615 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 -3.402 -21.176 8.218 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 -12.341 -11.252 7.347 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 -0.128 -1.123 -0.654 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 25.663 -4.499 14.896 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 -8.189 29.087 -19.702 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 1.135 3.956 0.640 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 10.744 7.010 0.992 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 19.187 7.656 20.645 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 -3.460 2.776 2.212 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 2.527 13.865 8.395 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 -2.744 8.818 9.254 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 -0.497 1.104 -0.873 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 -4.855 -1.839 27.925 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 27.576 -16.496 -14.423 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 1.864 5.620 1.300 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 -2.361 -7.306 10.089 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 5.012 0.313 5.317 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 -1.736 -1.898 5.742 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 -2.838 -11.052 -3.072 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 2.547 8.747 16.835 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 0.727 -3.707 -3.324 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 3.654 -1.532 -4.932 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 -21.161 -13.661 -9.491 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 6.773 -3.727 -4.284 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 30.943 -7.163 6.933 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 9.070 10.540 -0.209 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 -4.632 -2.910 -5.690 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 -7.292 -7.524 -6.157 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 2.991 -1.092 -13.971 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 -0.777 1.727 -0.529 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 -9.023 -1.669 5.741 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 10.031 7.788 -5.288 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 0.531 3.504 1.599 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 11.257 2.439 -1.349 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 10.819 -2.591 1.299 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 -1.553 -1.238 -0.681 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 -6.533 -23.550 17.309 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 8.209 3.066 13.117 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 -1.844 -1.572 4.246 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 10.182 -16.300 -3.398 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 -14.901 12.506 8.587 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 2.984 -7.828 -0.741 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 1.508 -0.538 6.006 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 -23.270 7.780 -4.619 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 5.300 2.525 9.202 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 15.949 -8.146 17.718 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 -22.463 17.901 -10.600 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 -4.079 -1.872 -6.430 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 26.936 -12.450 -7.268 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 -17.476 7.387 8.496 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 -5.327 4.689 2.484 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 6.438 28.623 17.851 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 4.677 -23.914 8.325 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 -4.203 -3.366 -3.199 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 -22.217 -2.601 -2.481 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 4.238 1.506 -6.977 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 3.000 -8.061 -1.276 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 5.208 -9.275 11.651 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 22.423 5.912 -2.586 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 1.255 -1.281 -3.288 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 16.959 -17.827 6.244 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 20.663 17.951 2.241 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 -5.718 -11.785 0.872 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 2.147 5.458 3.206 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 12.278 -19.646 0.360 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 2.636 2.445 -2.963 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 22.508 -36.606 8.419 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 -16.618 0.459 8.207 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 -0.960 -0.486 -2.180 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 -15.198 -10.679 -5.250 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 -4.727 -10.306 -1.704 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 -1.923 1.959 -8.250 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 11.137 6.674 -8.045 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 -4.437 12.688 -3.782 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 -3.664 -7.185 6.768 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 -0.946 -5.918 2.665 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 -2.707 -9.267 1.895 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 4.650 2.406 2.781 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 -1.078 -7.487 0.230 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 30.570 16.128 0.853 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 3.077 -7.436 3.880 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 6.943 -0.938 18.152 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 -30.751 3.544 39.107 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 2.718 -8.307 -1.844 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 -3.304 -21.922 12.369 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 -14.514 2.230 -5.040 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 -3.446 -5.641 2.662 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 7.555 -1.414 -14.499 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 -7.331 -2.313 21.163 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 7.085 -5.428 0.896 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 -9.905 -20.934 5.156 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 4.150 -15.804 -9.186 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 -2.205 2.031 0.393 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 3.513 3.669 -2.635 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 11.752 8.555 10.774 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 -2.987 -4.322 -2.745 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 -1.714 7.291 -3.996 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 8.708 -15.383 10.339 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 -7.819 -3.151 -5.458 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 -11.758 2.556 -3.718 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 -3.538 -0.457 -4.675 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 -4.136 -2.302 -1.186 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -6.371 1.364 9.045 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 -8.880 -15.317 -18.311 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 -5.127 3.659 6.043 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 1.355 4.932 16.708 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 14.169 5.435 27.960 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 0.591 -2.024 0.273 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 -10.082 -14.138 -0.947 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 5.113 -3.702 -7.881 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 -5.272 -7.130 -1.557 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 -2.231 -5.967 -10.079 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 -0.681 0.687 3.538 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 -0.864 2.183 -0.298 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 -6.302 -4.517 2.578 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 -0.670 19.752 -0.538 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 -3.892 -5.021 2.061 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 -4.023 -5.041 2.104 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 11.844 1.637 -20.642 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 0.820 -3.358 2.796 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 7.045 -1.143 -1.446 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 -6.026 -6.597 8.269 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 0.996 1.626 -11.665 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 3.915 8.170 -12.269 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 4.411 5.408 3.733 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 -3.492 -4.122 -0.800 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 -2.904 20.672 18.836 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 7.586 -33.401 -12.658 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 -3.158 -1.942 3.768 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 -2.469 -7.342 -12.168 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 1.274 1.796 -3.826 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 2.395 -0.851 2.292 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 -0.375 -22.424 2.365 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 -6.598 -21.707 -5.889 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 1.627 0.743 -0.152 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 2.512 -12.821 29.338 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 5.827 5.360 22.223 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 2.337 -7.241 -0.121 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 5.905 -12.566 -9.939 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 8.949 -5.253 9.233 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 -3.538 0.578 -4.923 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 -1.715 -17.555 36.343 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 0.671 21.136 10.254 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 1.513 6.962 2.148 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 0.210 3.385 8.314 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 3.864 5.128 2.770 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 -0.457 -4.277 -0.354 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 13.831 9.368 7.900 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 7.600 -8.738 18.541 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 1.716 0.635 -5.442 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 -9.123 3.788 23.123 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 13.205 -6.141 21.006 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 -0.981 7.322 -3.008 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 8.413 -16.403 3.836 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 -5.566 -4.576 4.125 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 -5.878 -2.591 -5.087 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 -10.084 -29.631 1.220 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 -9.964 2.547 -13.008 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 -3.558 7.084 1.795 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 -9.133 2.979 12.984 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 8.677 12.008 -11.877 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 1.803 2.691 0.633 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 -1.043 -5.952 13.795 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 3.312 4.121 -7.215 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 1.300 -1.877 -1.100 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 -3.234 -4.331 5.627 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 1.841 -0.164 2.633 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 2.523 -4.612 -2.075 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 -4.652 -11.276 -5.477 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 -1.879 -10.346 -3.943 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 -2.356 -1.598 -6.028 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 6.959 3.678 -7.072 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 -22.549 1.097 -14.998 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 -6.703 -1.403 -2.632 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 16.609 5.621 -13.450 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 4.214 -10.827 7.778 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 1.010 -3.454 -2.601 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 -6.188 -18.670 12.073 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 0.656 -8.583 -9.667 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 -1.394 5.358 1.516 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 9.564 1.379 0.566 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 8.314 -0.908 2.042 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 0.804 2.527 -1.474 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 -17.347 -8.740 -2.132 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 1.571 16.301 -12.413 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 -6.803 -1.793 0.837 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 -3.406 -5.577 1.318 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 -10.654 0.678 -3.546 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 0.132 6.161 -0.387 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 2.802 4.348 2.521 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 1.677 -1.154 -6.672 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 -0.072 -1.107 -0.528 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 -10.710 -5.593 1.655 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 5.740 1.043 9.650 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 1.826 4.964 1.781 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 -14.437 15.040 4.956 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 14.995 17.903 -2.629 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 -6.970 -3.023 -3.946 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 15.454 -6.091 -2.944 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 -23.653 -6.554 -2.174 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 -2.510 -1.735 -3.867 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 -2.444 -2.492 -3.271 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 -4.294 -6.520 -7.428 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 -5.069 -1.152 -2.378 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 3.268 7.431 -3.010 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 1.579 -7.629 4.670 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 1.998 -2.947 6.916 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 -1.653 -1.209 19.768 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 -7.357 -7.181 -0.231 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 5.693 -2.280 3.135 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 4.044 -0.476 2.726 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 6.127 -2.487 3.864 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 4.249 1.598 -1.533 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 24.401 24.130 -23.270 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 -22.943 6.510 -5.815 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 0.822 -0.675 -5.093 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 8.837 -5.959 3.370 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 13.786 -9.550 -7.912 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 -4.325 -1.661 1.922 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 -3.069 3.609 0.936 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 -3.268 -1.165 1.710 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 -1.271 5.651 1.932 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 9.633 -22.257 -12.663 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 2.881 -11.309 -8.245 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 2.807 1.328 -3.279 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 0.841 -8.718 0.529 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 15.973 1.014 -2.098 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 -6.136 -1.520 -2.135 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 -19.280 10.232 -3.994 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 -10.892 -0.177 -1.559 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 -0.093 -2.217 1.608 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 34.661 0.295 -3.728 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 -0.898 -22.541 -15.197 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 -5.390 5.704 -5.092 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 -3.655 2.258 -8.926 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 6.299 24.865 -10.082 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 0.151 -1.525 -1.321 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 -5.642 -6.649 -2.256 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 3.248 -4.033 3.575 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 -1.116 -3.425 6.662 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 -4.175 1.167 6.069 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 23.690 -2.021 -2.500 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 -3.943 7.813 -6.158 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 16.470 -5.414 11.460 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 -10.931 -0.039 5.948 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 -4.565 3.980 8.091 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 13.346 9.329 -3.054 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 -17.390 -29.613 -4.428 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 -5.267 0.788 2.404 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 -12.342 -2.303 -10.274 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 -6.695 7.195 16.882 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 -5.741 3.787 0.221 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 -1.742 6.666 6.900 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 -1.565 6.771 7.094 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 2.414 2.491 3.869 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 -2.134 4.494 -3.370 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 9.071 -0.433 -7.544 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 1.634 -1.521 -4.857 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 -5.771 -5.478 -3.217 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 27.773 -34.104 4.921 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 -4.789 0.148 -4.370 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 -0.709 0.725 3.786 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 -6.695 3.577 -9.909 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 2.713 3.159 1.465 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 -12.664 -6.425 21.064 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 11.042 7.882 -10.378 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 -2.046 1.129 -1.233 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 -8.650 6.323 -16.807 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 0.976 22.241 -14.156 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 4.665 2.582 4.752 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 11.581 27.737 -0.089 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 3.533 -5.598 12.171 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 -3.312 1.626 -6.924 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 5.298 -3.825 2.853 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 3.580 -1.798 3.776 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 3.406 -2.997 -0.687 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 19.223 -22.521 10.780 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 -32.801 -0.818 -3.731 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 3.435 -1.451 1.780 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 15.033 5.104 -0.200 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 -15.187 5.943 -10.398 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 -0.900 0.286 -5.250 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 1.827 -10.029 -3.984 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 -0.598 14.305 -10.855 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 4.211 1.449 0.291 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 13.445 -24.601 -6.184 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 -3.627 14.098 -11.170 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 -1.494 -2.232 -1.667 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 13.037 -0.144 1.159 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 12.314 -2.620 -3.425 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 0.416 1.890 0.882 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 3.846 7.895 -2.399 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 2.476 11.762 -15.929 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 -1.395 0.144 -3.646 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 9.954 -19.380 11.237 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 -8.306 10.288 29.302 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 3.822 4.240 -7.266 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 -4.521 -16.231 17.129 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 8.383 6.642 -4.055 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 0.327 -2.998 -4.589 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 -6.374 3.130 -7.415 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 15.092 -14.445 5.809 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 3.136 3.807 -5.328 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 -3.075 -6.117 -27.986 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 -7.182 -9.825 -7.919 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 0.025 2.335 2.947 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 -12.014 -13.330 15.554 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 -5.466 -6.565 2.321 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 2.657 3.294 -3.983 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 -11.214 -0.617 15.087 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 5.377 18.154 -6.626 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 -3.114 1.250 -6.273 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 3.288 2.745 -7.375 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 -2.891 -4.927 -4.703 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 -1.072 -0.369 2.805 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 -1.805 -5.869 -3.306 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 -9.366 -0.028 5.294 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 -4.724 -10.417 5.784 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 6.112 13.575 3.284 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 -12.895 -0.484 9.601 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 -0.084 3.207 -3.502 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 -8.590 -7.044 -4.252 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 7.442 -9.443 -1.393 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 -4.655 -4.357 -3.647 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 -19.859 0.075 0.540 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 11.934 3.849 -4.778 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 4.138 -1.774 2.463 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 5.482 -5.659 -6.379 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 -6.303 2.403 0.238 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 -0.870 -2.240 10.879 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 12.416 -15.598 25.607 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 -12.600 -12.027 7.926 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 2.802 -0.016 4.377 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 -15.920 -10.339 -23.117 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 17.253 -1.947 14.018 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 -1.364 3.365 1.376 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 10.638 8.503 -13.531 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 -10.645 21.405 -5.424 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 -0.908 -7.542 -0.227 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 3.122 9.533 -20.503 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 6.883 4.390 -5.869 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 0.052 1.298 3.511 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 -9.219 -16.778 -9.203 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 5.245 -4.715 -10.985 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 -4.698 2.663 -0.602 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 -2.903 -1.073 1.607 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -5.915 5.569 2.953 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 -0.217 3.550 -5.503 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 20.749 20.891 14.287 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 1.976 -31.628 7.935 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 8.466 0.813 1.546 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 -8.575 24.204 7.181 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 -3.343 3.654 1.906 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 -7.198 -3.500 -0.101 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 7.040 -20.357 -27.546 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 16.530 -18.325 -3.515 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 1.836 -2.390 0.266 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 -8.166 -10.936 0.785 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 -3.434 5.367 -1.817 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 2.494 -2.499 8.157 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 3.763 -1.447 8.901 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 -16.509 -20.740 -4.546 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 -3.630 0.043 -3.230 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 -7.667 7.074 -12.880 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 -8.307 4.375 -7.963 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 -6.218 2.816 6.953 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 28.009 -24.934 18.101 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 -15.443 9.372 4.670 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 -1.929 4.093 -7.916 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 7.449 -26.968 6.591 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 -5.392 12.658 -11.928 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 -0.023 0.494 1.606 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 1.716 7.862 10.156 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 12.241 0.138 17.596 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 -2.863 1.224 -5.210 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 3.546 -39.613 -17.788 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 -3.042 8.045 -2.097 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 0.683 -4.605 -1.343 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 -1.369 -4.540 -3.495 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 -21.627 -4.459 -11.243 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 -2.409 1.639 2.263 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 2.448 21.625 -2.259 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 18.189 11.884 3.097 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 -4.746 2.427 1.056 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 -14.332 -5.535 0.536 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 -16.173 -28.365 -10.640 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 -2.484 -2.436 3.761 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 -4.546 -1.332 -0.285 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 -1.784 -2.141 6.074 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 -1.333 1.531 -4.008 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 12.408 -1.243 -3.592 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 2.068 14.131 5.561 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -1.762 5.291 0.205 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 2.953 11.471 -6.865 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 -1.814 6.707 6.133 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 -9.340 4.523 2.284 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 -12.554 6.824 -5.198 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 4.468 10.654 0.693 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 -2.602 4.466 0.829 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 -14.122 -15.999 -1.568 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 -8.100 3.979 -10.346 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 2.189 -1.070 2.293 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 -38.969 31.107 7.295 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 1.105 14.157 15.745 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 1.136 1.034 -2.492 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 -0.825 -7.666 -0.121 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 8.865 1.700 -7.862 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 -2.993 1.159 5.547 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 -2.597 8.774 -0.499 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 -8.301 -15.606 11.962 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 -3.016 -13.210 1.413 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 -2.817 15.139 -13.891 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 -2.916 -23.252 3.625 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 1.066 0.884 1.743 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 6.949 -0.935 4.077 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 6.854 -0.172 1.607 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 7.180 -3.195 -7.859 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 -12.552 2.151 -3.788 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 -8.656 -9.511 -4.349 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 3.019 -0.802 -6.225 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 11.590 -16.862 11.411 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 28.012 -8.632 10.883 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 3.121 1.801 1.611 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 2.908 1.042 1.044 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 2.069 3.383 0.855 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 -4.803 -6.745 -0.534 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 2.323 -3.088 -29.315 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 -23.034 -5.898 15.596 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 -3.830 0.093 10.745 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 -1.388 -18.761 9.612 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 -10.089 -1.944 3.082 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 3.398 -2.558 -2.262 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 -3.944 2.499 -6.854 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 -8.040 -20.642 -2.432 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 1.325 -0.003 -0.590 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 -7.250 -12.678 -14.326 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 -8.068 -9.188 -12.266 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 0.145 3.130 0.410 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 2.926 -1.902 -0.819 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 0.810 -0.032 -0.397 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 -4.494 -3.532 2.691 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 8.686 -11.556 -9.422 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 13.966 -13.768 -8.617 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 -8.118 1.844 2.308 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 -0.888 6.294 -3.374 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 -5.638 1.767 19.171 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 -2.178 1.500 0.161 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 -10.656 -12.173 10.838 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 -1.592 -6.422 -18.024 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 -5.502 1.050 -3.153 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 -10.597 -0.976 -3.965 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 -2.052 5.709 -6.483 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 -4.442 0.425 -0.654 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 -14.987 -11.103 -7.658 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 2.707 -8.114 13.060 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 -4.023 -1.285 -1.936 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 2.455 -9.105 -8.592 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 -2.309 2.599 6.156 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 0.001 4.575 -5.860 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 -12.985 3.652 -21.132 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 -13.148 17.127 7.193 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 2.116 -2.047 -1.234 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 6.520 -12.386 -13.310 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 -0.186 -2.914 3.735 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 6.541 -2.769 -2.592 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 -1.903 -8.748 -13.432 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 15.148 1.732 -8.002 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 -4.124 0.009 8.688 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 3.133 15.028 5.810 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 -14.599 1.202 -8.787 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 3.361 0.066 6.789 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 3.748 -0.052 -1.836 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 20.563 -14.091 2.884 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 -0.204 -0.563 3.416 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 2.754 -5.470 7.176 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 5.139 -2.718 0.940 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 0.267 -3.828 -4.488 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 -3.835 -12.484 -5.671 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 -6.924 -3.622 -9.158 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 -2.630 0.838 -0.237 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 7.827 -15.712 0.906 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 -23.254 18.943 13.065 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 0.527 2.286 0.361 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -14.657 -10.146 2.465 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 -5.746 -0.531 -1.437 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 -0.526 1.123 0.233 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 7.166 -14.262 -6.737 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 12.474 9.560 7.917 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 -5.603 3.880 -2.443 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 -12.118 -7.902 -31.449 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 -2.917 -11.550 -18.395 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 -0.117 0.762 1.241 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 -2.380 -2.914 3.743 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 14.305 -20.300 -6.521 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 -0.332 3.008 -4.904 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 -30.046 -14.335 18.458 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 -10.580 -5.585 5.428 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 3.103 2.222 -0.845 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 -5.767 1.477 -26.192 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 4.702 -7.798 -21.840 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 -7.026 1.009 8.316 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 23.040 7.741 19.724 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 -2.100 -7.040 6.816 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 0.276 -3.012 4.037 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 0.441 7.443 5.358 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 12.187 1.931 5.457 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 2.301 -5.045 0.623 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 -2.994 4.116 -2.682 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 4.508 4.477 1.495 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 4.908 -5.126 -5.079 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 8.049 20.259 18.513 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 -3.916 -6.734 -24.723 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 -8.425 -2.775 1.330 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 3.934 -6.169 -3.941 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 -10.681 -10.006 4.877 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 -7.564 -2.603 -0.726 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 4.688 -5.471 -0.603 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 -1.579 3.564 13.215 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 4.559 2.185 5.360 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 -20.737 -8.137 11.204 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 12.447 26.659 13.444 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 4.467 1.808 4.140 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 4.823 7.886 3.539 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 7.777 -0.575 5.470 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 2.918 -1.054 -3.244 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 6.344 -0.748 -1.619 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 17.831 -4.063 -0.596 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 2.367 6.153 -2.858 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 0.807 4.893 4.521 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 -4.721 8.339 -1.987 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 -0.701 2.470 -0.085 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 12.053 -0.544 -6.491 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 -1.027 1.915 -24.168 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 -6.214 0.493 -2.805 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 -16.334 12.746 -19.791 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 9.241 7.443 1.315 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 -1.536 0.124 -2.041 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 -3.353 -18.841 -10.521 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 -3.153 2.548 -5.620 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 5.582 8.579 7.435 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 9.003 28.841 -10.622 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 4.826 12.160 9.259 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 -4.867 -1.317 -6.540 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 -0.673 -6.416 1.725 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 -8.845 9.549 1.996 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 2.317 0.046 5.738 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 3.259 -9.325 19.735 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 1.817 3.394 -3.092 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 2.863 -4.295 2.573 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 -5.206 -2.863 -6.420 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -24.058 14.297 -0.458 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 -0.374 2.357 6.537 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 -10.743 -7.190 15.792 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 7.366 4.720 3.224 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 5.402 1.674 3.525 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 30.654 9.621 21.305 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 -16.688 -6.218 -20.989 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 2.761 1.090 -3.404 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 -19.831 1.079 -2.895 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 8.349 24.397 -14.455 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 7.082 -0.779 1.683 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 4.329 -8.150 -8.489 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 6.840 -10.523 -2.481 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 -6.131 -2.257 -5.876 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 1.637 14.094 -4.867 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 -17.380 8.298 -16.568 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 2.985 2.009 0.984 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 32.137 -7.909 -12.399 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 -4.385 -8.915 0.682 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 -1.513 0.508 0.702 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 2.940 -9.033 17.004 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 -8.380 8.192 -34.059 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 -0.641 -1.887 0.937 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 4.752 -9.119 4.666 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 -5.167 -4.502 -6.247 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 -10.794 6.886 -0.160 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 -10.862 14.245 -4.994 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 -1.879 6.245 2.297 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 -1.101 4.255 2.726 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 4.715 8.925 -12.847 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 3.985 -5.538 -1.279 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 -0.409 -1.781 -2.007 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 -8.554 17.344 21.504 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 4.294 -33.899 -2.335 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 2.025 0.411 1.966 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 2.408 0.615 -0.878 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 3.557 -2.377 3.822 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 0.096 -4.602 -1.851 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 31.313 -8.168 -17.036 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 9.480 -5.118 18.165 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 3.136 3.088 -1.519 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 22.877 2.737 -2.773 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 8.870 -5.981 1.162 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 -5.716 -1.223 10.318 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 9.925 15.761 11.938 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 -15.461 -16.911 -7.362 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 -1.545 -4.840 -4.029 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 -15.321 -19.509 -21.224 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 6.722 16.885 -17.229 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 -1.942 0.969 5.594 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 20.181 -7.532 21.159 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 21.893 29.911 -22.178 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 -1.947 -2.285 -3.765 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 -17.217 0.483 -2.977 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 -14.779 6.047 -9.809 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 5.083 0.188 -8.684 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 -11.879 6.900 -1.350 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 -13.400 12.972 29.478 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 -7.091 1.930 7.075 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 3.918 11.259 9.048 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 -13.035 2.121 -6.653 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 -1.390 -2.222 5.747 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 -11.218 -1.897 10.734 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 -2.565 -10.395 -0.360 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 6.392 3.784 -0.341 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 7.446 -0.588 6.078 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 -15.410 -10.472 4.695 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 2.645 0.744 3.318 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 1.100 0.857 16.385 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 -2.757 1.016 39.082 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 3.860 3.596 -2.100 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 -28.414 -4.172 1.335 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 -30.141 12.363 11.758 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 -2.552 -3.738 0.025 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 -6.220 -2.133 -2.212 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 -12.555 -7.365 -6.232 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 -0.473 0.657 6.942 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 -1.739 0.503 2.472 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 -6.544 0.547 -9.319 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 -7.003 0.825 2.033 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 -22.029 -14.860 -17.797 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 5.597 0.568 1.946 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 4.126 -2.143 0.229 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 -4.832 -6.865 4.526 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 -1.768 -5.413 9.211 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 0.462 -3.994 -1.376 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 0.088 -2.813 -1.562 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 -25.524 15.292 2.495 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 -7.051 3.152 -5.306 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 -4.203 -18.845 9.064 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 -10.891 -15.814 -18.092 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 11.134 -8.930 1.722 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 -32.119 5.159 7.127 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 28.130 -3.866 2.360 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 -0.325 -0.903 -2.844 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 3.192 -26.179 -27.680 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 2.561 -7.924 -22.119 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 -1.212 -8.130 -3.494 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 -5.927 15.312 -6.209 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 -6.624 7.217 -4.187 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 0.570 -4.301 -0.381 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 16.820 -19.667 -19.421 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 -7.179 13.184 13.822 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 1.709 1.095 3.231 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 4.253 1.126 3.040 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 -19.809 -7.907 1.811 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 -0.152 -3.958 -2.784 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 7.450 -2.884 -5.430 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 28.104 5.892 -20.077 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 -1.984 2.257 -6.698 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 -8.055 -7.727 -17.467 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 -1.430 -5.737 4.167 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 -2.433 -1.335 -2.890 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 42.766 16.334 -0.392 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 -0.079 -16.995 -13.333 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 1.094 4.062 -5.474 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 4.270 16.933 4.364 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 8.162 -4.247 -4.029 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 -2.139 2.184 5.362 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 -20.946 4.400 -3.149 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 -3.048 4.314 -4.673 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 3.215 -7.777 -2.318 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 11.249 0.519 -8.502 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 -8.330 -9.277 -10.798 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 -1.429 -5.809 -2.013 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 -13.564 19.536 -12.965 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 1.234 22.984 2.350 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 -3.169 -5.029 -5.117 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 17.680 5.887 -20.626 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 -12.269 0.185 3.775 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 -5.525 -3.522 -5.148 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 3.514 -11.805 24.283 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 10.061 -13.959 0.984 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 -0.811 2.982 -4.293 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 -0.119 7.821 -11.513 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 1.787 3.631 -5.429 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 2.328 -1.059 2.080 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 -0.066 7.758 -1.229 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 -5.100 -5.014 -1.228 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 0.418 -3.242 5.382 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 8.014 11.222 10.725 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 -0.098 -13.655 7.236 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 -4.308 -2.500 -3.623 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 -4.476 1.153 2.124 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 9.070 7.463 -0.975 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 -7.208 0.349 -6.077 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 -2.590 5.442 -5.621 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 -30.099 13.502 -16.699 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 1.616 2.795 -0.568 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 10.125 15.377 16.430 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 8.835 11.717 -18.685 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 1.027 -0.642 2.846 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 -14.728 -10.855 1.931 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 10.726 -6.370 -24.695 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 -7.753 -0.773 5.101 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 -13.358 -12.068 -0.091 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 -0.739 4.706 -11.727 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 4.841 -2.626 -1.732 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 1.953 -9.333 5.181 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 -1.044 0.895 -4.330 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 2.310 3.068 1.883 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 -2.172 21.946 -10.496 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 6.437 -2.681 5.480 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 -7.473 -3.585 1.047 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 1.635 8.698 -26.759 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 -7.192 -5.558 2.773 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 -3.693 1.413 0.112 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 -0.128 15.283 -14.109 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 9.461 8.459 -9.127 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 -1.864 -0.019 0.624 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 8.175 -16.710 0.229 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 9.344 14.248 3.118 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 3.572 1.363 -1.320 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 3.195 3.145 -1.747 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 3.185 2.064 -2.125 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 -4.335 5.309 1.184 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 -16.499 2.821 -14.580 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 -5.410 5.525 -0.451 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 2.817 1.419 1.093 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 2.040 2.103 2.338 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 -11.767 11.302 -11.796 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 -1.148 -1.501 2.039 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 -2.662 -1.970 -26.012 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 -11.673 -5.346 6.565 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 5.583 2.883 -7.600 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 6.750 4.131 -7.626 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 7.333 -6.657 -5.257 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 -1.038 -0.927 -5.329 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 3.031 2.094 7.815 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 6.554 13.341 20.306 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 -1.842 -4.997 -6.377 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 2.192 -7.233 -4.766 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 12.040 -13.714 -0.799 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 -1.004 4.447 -1.031 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 8.516 -4.112 -7.804 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 -20.575 18.695 11.363 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 -5.075 -0.785 7.714 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 -7.207 -1.462 -10.313 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 -6.114 -0.065 -5.215 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 8.816 1.063 3.364 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 10.877 8.913 -5.229 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 5.062 -2.581 7.219 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 -2.978 -2.182 -0.927 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 0.835 1.821 -9.046 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 -19.657 -9.246 24.662 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 -2.455 4.481 2.395 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 -10.023 3.159 -11.066 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 -7.244 8.858 13.120 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 0.126 0.837 0.976 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 4.315 19.976 8.107 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 -4.671 3.048 -15.493 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 1.597 1.294 -1.391 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 3.527 3.858 -1.215 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 7.225 -1.588 -18.520 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 -2.509 -0.523 4.294 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 6.724 -12.699 -2.239 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 21.186 -14.436 4.920 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 2.576 5.232 -3.173 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 -8.244 6.054 9.049 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -14.331 -14.553 -3.543 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 -4.502 -7.687 -1.145 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 -17.626 6.199 -6.208 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 -0.894 3.130 8.848 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 3.832 -2.154 -0.645 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 6.541 -2.610 1.032 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 7.998 -1.486 -1.537 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 0.842 4.751 -4.237 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 -12.587 -7.415 -27.167 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 16.069 1.059 6.321 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 0.143 4.141 3.464 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 -7.503 -15.341 6.497 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 3.351 11.805 6.223 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 3.155 4.716 1.345 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 -9.792 -5.688 5.685 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 -23.227 -6.989 -1.155 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 -2.221 1.681 -2.389 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 22.259 0.492 -9.024 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 -0.162 15.365 -22.842 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 6.447 -2.522 3.214 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 19.958 -18.949 0.383 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 -12.153 7.935 0.786 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 -1.995 7.970 8.425 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 1.475 5.144 -0.477 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 -3.212 7.863 -5.976 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 -0.837 4.270 -3.804 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 -13.366 -10.838 4.073 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 -1.874 -2.824 12.305 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 -1.486 2.952 -2.245 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 -2.144 1.130 3.608 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 -3.271 -22.728 13.782 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 6.891 -2.772 -3.332 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 5.594 23.561 12.929 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 10.084 -17.680 -3.934 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 6.757 -2.074 1.797 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 13.764 -5.435 7.349 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 6.985 4.877 1.967 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 -3.339 3.998 -2.840 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 -5.996 4.178 -0.476 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 -5.247 8.599 4.488 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 6.409 -2.387 -1.592 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 22.034 14.668 -32.680 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 19.750 17.327 -21.395 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 -1.056 -8.662 -3.974 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 10.647 -12.501 -2.399 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 -0.704 -9.413 -4.184 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 -1.234 5.942 1.512 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 6.024 10.576 27.253 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 -4.301 10.849 7.698 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 -0.745 -3.711 -1.761 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 -17.119 -1.286 -3.037 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 24.791 6.383 4.642 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 -2.305 1.095 -3.328 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 26.532 12.059 -15.407 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 17.915 6.277 0.195 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 -0.479 5.114 0.551 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 -4.807 4.432 0.412 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 0.618 2.354 2.557 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 -1.404 -3.335 -1.501 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 0.852 -0.738 -5.676 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 4.040 3.231 -11.447 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 -0.801 3.288 -3.248 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 -4.233 -10.490 -10.072 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 4.025 -2.743 12.106 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 2.637 -1.295 2.187 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 7.407 3.518 -2.226 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 -5.404 -11.015 9.313 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 -7.715 0.443 -2.727 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 -9.022 -9.355 -3.739 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -11.656 4.293 0.239 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 2.197 -3.100 -0.326 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 3.487 9.805 1.504 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 -9.677 -6.844 5.582 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 6.984 -5.299 3.932 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 7.546 -5.199 -22.739 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 13.836 -18.284 7.447 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 -0.132 -2.754 -3.219 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 -29.035 -12.861 5.080 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 -0.758 18.994 -24.726 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 3.193 -2.084 -10.121 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 8.505 7.003 2.587 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 1.328 6.712 -4.566 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 7.589 -5.873 -2.986 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 -0.311 -7.057 -7.350 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 7.318 -7.229 -4.497 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 6.882 -6.193 -3.327 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 -2.954 -26.704 0.807 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 19.648 1.170 -19.105 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 2.574 -1.654 1.354 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 12.388 -10.609 16.452 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 5.230 -2.174 -11.246 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 -0.639 -2.369 -4.049 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 14.040 -1.633 -10.372 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 -1.648 14.380 -1.325 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 10.236 4.765 1.639 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 7.974 10.780 3.479 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 16.029 6.250 -2.930 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 -3.282 7.917 -7.244 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 -12.607 -5.063 -10.574 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 4.095 13.758 6.457 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 -0.510 2.176 -4.287 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 0.851 -19.099 4.018 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 17.000 19.750 -12.703 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 -3.671 6.426 -7.971 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 -24.128 -4.968 -19.210 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 10.641 3.797 -2.468 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 1.010 6.910 1.936 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 7.017 -0.165 32.132 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 -3.608 4.962 -11.516 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 -5.298 0.356 0.551 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 -25.041 20.928 4.644 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 -4.622 7.060 -11.200 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 2.526 2.706 -0.268 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 -12.078 -24.666 -8.916 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 12.121 3.164 28.124 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 -0.263 -1.430 0.485 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 4.569 1.448 1.663 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 0.482 -0.784 6.631 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 -0.512 4.254 2.354 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 -4.289 10.183 -9.450 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 -10.538 7.770 -12.329 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 -0.163 2.305 -2.597 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 -1.469 14.411 -2.745 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 15.305 4.861 -1.045 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 3.346 0.102 3.457 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 -8.906 -4.217 3.565 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 -6.388 0.734 2.570 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 1.550 3.077 -4.620 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 14.651 -3.928 12.152 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 9.404 -0.870 -10.003 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 -5.695 -1.053 -2.264 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 20.724 7.448 3.481 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 0.421 -29.101 -16.992 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 -5.876 -4.216 -4.470 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 -2.494 0.768 -4.588 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 -3.067 1.119 -15.405 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 0.830 -1.536 6.260 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 1.030 -1.552 4.790 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 10.054 -14.323 -10.785 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 2.578 0.933 1.026 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 -19.150 16.642 10.557 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 2.710 -17.536 12.430 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 -6.257 0.498 -1.133 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 1.694 -4.197 -4.219 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 -21.884 -1.808 -6.756 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 -3.981 2.104 -0.793 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 -5.992 3.239 -0.498 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 15.085 -10.232 1.075 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 4.668 1.483 -4.738 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 -5.770 -5.345 -10.077 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 12.500 -25.139 10.572 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 1.380 2.924 5.534 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 -3.681 0.184 14.582 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 4.934 11.806 -6.755 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 4.445 -4.423 -1.355 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 10.043 -6.131 -5.360 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 -4.286 13.842 -1.294 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 -3.649 2.885 1.022 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 1.013 17.578 0.538 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -13.365 2.847 7.815 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 -2.611 3.053 -2.135 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 5.331 4.964 -17.147 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 -7.303 -0.747 3.583 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 0.892 -2.032 -8.413 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 -5.613 1.281 9.099 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 -4.930 -17.685 -30.473 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 -0.914 -1.994 1.172 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 16.384 -9.615 -2.673 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 2.970 14.013 2.367 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 3.642 -4.798 2.329 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 8.205 -2.010 -14.738 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 -10.777 6.814 -26.659 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 -1.445 -2.609 1.777 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 -0.374 9.000 7.518 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 -2.819 32.558 12.953 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 -0.423 -3.828 -1.588 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 1.055 -3.798 -3.734 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 -5.024 1.938 -11.566 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 -3.635 -3.961 -1.119 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 -14.790 -21.425 0.145 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 8.783 -3.878 12.800 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 2.933 -5.145 2.819 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 -4.623 -3.127 12.272 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 -7.050 -3.274 -5.682 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 -1.265 -0.567 -1.827 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 -3.484 30.569 4.306 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 25.250 -8.588 14.396 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 -2.963 2.734 -2.080 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 13.240 21.028 -6.452 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 11.669 29.331 1.104 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 -0.093 -7.039 -1.067 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -8.667 10.600 -4.565 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 12.123 -6.964 1.832 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 -0.301 0.673 -2.346 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 -10.671 13.735 7.030 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 11.231 15.193 0.089 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 -1.323 1.917 -2.504 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 7.917 -18.655 0.110 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 11.529 -11.406 14.790 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 0.575 2.183 1.213 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 -3.241 23.914 -34.318 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 -0.613 1.350 1.569 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 -4.914 2.509 1.193 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 -11.537 -26.527 -0.281 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 1.384 23.447 3.104 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 -0.816 2.097 0.414 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 -7.257 2.668 -14.821 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 -2.504 20.904 4.772 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 1.424 -0.851 4.555 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 -3.706 -8.767 -13.265 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 -14.685 -4.136 16.611 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 8.178 1.153 -2.470 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 23.341 -8.685 4.878 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 19.453 4.144 -3.239 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 -4.558 3.333 2.059 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 -8.422 4.161 -3.861 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 -9.260 -4.794 -9.911 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 -1.961 -1.653 -7.313 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 -7.808 -1.495 18.744 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 -2.934 -14.125 -16.368 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 5.177 -2.481 2.955 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 -3.728 -17.213 -10.801 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 -6.066 2.689 14.627 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 -5.730 0.206 -3.931 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 8.940 9.568 17.103 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 -3.614 -8.029 0.046 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 -3.743 -9.842 5.367 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 4.982 12.559 21.077 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 -3.853 -10.656 -16.322 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 2.124 -7.022 6.630 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 -22.659 1.966 -17.944 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 -10.291 2.807 -10.669 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 -3.593 4.577 0.109 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 -1.174 6.967 0.426 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 -12.299 -4.541 0.768 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -3.893 5.926 6.112 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 9.132 -14.767 -18.184 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 -11.299 -15.781 -3.736 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 -9.311 2.671 -2.267 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 -16.694 3.995 -1.820 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 -8.361 -0.622 -6.584 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 2.693 0.835 3.067 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 -0.331 -0.433 -5.644 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 11.129 -0.584 2.639 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 4.040 -8.268 -5.927 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 10.665 -16.016 -0.247 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 6.015 5.956 4.525 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 -2.766 0.857 0.312 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 0.826 -12.676 -10.170 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 2.020 -10.351 3.943 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 1.537 1.087 2.728 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 -3.307 -8.373 -11.736 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 -4.774 -7.350 -0.061 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 1.085 0.740 -1.039 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 22.688 -2.169 5.209 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 1.324 1.202 -15.483 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 0.179 -4.860 0.611 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 -1.912 -4.991 7.768 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 -5.873 -5.643 -8.735 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 -1.850 0.432 -5.577 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 -2.245 5.254 -5.487 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 -3.585 -0.750 -11.681 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 -3.115 1.338 -2.478 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 -3.158 0.239 -11.516 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 -0.557 7.374 1.577 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 -3.889 3.810 9.840 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 -13.167 -9.405 9.585 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 2.437 5.613 15.260 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 5.977 0.221 -11.102 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 -18.383 -3.927 17.410 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 22.164 -0.616 -25.036 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 1.277 -0.841 -10.613 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 0.601 0.124 -9.336 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 13.139 6.630 -1.943 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 7.657 -1.515 3.585 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 11.236 -1.111 -4.926 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 14.235 -7.426 6.398 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 5.098 0.768 -1.865 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 13.454 -0.140 -1.352 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 4.895 5.394 -5.180 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 -2.660 -4.808 9.797 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 -5.463 -3.322 15.630 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 -3.161 9.114 22.454 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 -2.079 -0.501 4.061 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 -9.200 23.812 -6.332 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 6.906 -6.008 12.134 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 -4.391 7.370 8.821 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 0.035 10.213 3.280 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 2.949 3.834 10.351 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 -0.007 -0.690 1.879 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 -12.893 -0.939 10.553 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 -16.643 -0.422 11.012 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 2.945 0.207 -0.150 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 0.439 -1.756 -1.355 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 1.664 3.069 -1.451 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 5.942 -0.266 -0.443 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 15.410 5.404 -2.984 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 10.075 -9.229 5.946 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 -0.507 2.415 2.143 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 5.705 6.555 10.441 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 -4.128 -1.907 6.433 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 -1.933 -4.957 -0.004 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 5.226 1.185 -8.321 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 5.048 2.932 -0.575 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 0.687 -5.849 4.100 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 -0.968 -12.855 2.028 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 -3.126 3.588 -2.275 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 -1.904 -3.328 -0.117 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 12.326 -7.345 1.298 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 1.611 -1.535 -0.945 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 0.745 -0.808 -3.168 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 9.419 -2.777 7.766 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 0.456 -1.850 -10.244 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 -0.424 8.133 -1.267 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 3.496 -0.250 -19.506 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 -12.575 19.879 -4.948 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 1.921 -0.523 1.692 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 7.159 -1.087 18.062 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 -17.901 -6.916 3.474 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 0.187 -0.152 0.171 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 2.814 -3.856 -3.542 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 -5.345 -11.367 -8.126 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 -8.954 0.005 -7.299 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 10.628 -3.397 8.203 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 5.981 -6.832 10.373 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 -0.087 4.595 2.601 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 5.010 -11.686 -6.228 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 22.801 7.738 5.198 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 1.545 -0.634 0.726 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 -1.923 -14.019 10.262 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 17.720 -10.999 -10.499 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 4.813 -5.986 -1.997 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 -0.468 -7.203 -6.196 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 -4.535 -5.442 -3.326 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 -3.825 0.578 2.186 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 17.490 -35.059 -0.426 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 25.411 24.340 -4.479 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 -2.051 2.944 0.034 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 3.776 5.101 9.995 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 -1.103 0.649 2.703 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 -1.267 -0.529 2.268 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 8.681 15.797 6.424 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 -16.538 9.838 -7.402 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 2.832 3.362 2.025 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 16.140 -8.294 -0.792 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 -2.331 10.358 -6.846 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 0.088 0.054 1.012 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 -5.962 -7.076 -0.503 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 -3.440 2.439 5.077 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 1.316 -1.444 0.196 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 24.854 -9.814 -4.258 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 -1.590 -4.195 24.611 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 -2.622 -2.034 -0.502 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 -3.752 -4.510 4.657 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 -2.592 -19.655 -18.533 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 -1.889 -3.079 -4.832 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 -13.417 11.338 14.097 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 -12.471 7.787 8.749 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 3.025 -5.284 3.106 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 27.691 -14.469 -9.671 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 -1.790 -11.714 -9.827 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 -0.656 0.827 1.270 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 -0.110 -1.397 -16.057 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 -13.230 21.896 12.112 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 -9.989 -2.859 0.344 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 -12.509 5.713 -8.014 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 -22.449 4.882 -2.207 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 3.566 -1.196 -3.096 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 -7.860 -27.464 -9.510 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 -4.667 -11.363 1.217 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 5.417 -1.489 -2.126 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 -7.490 0.013 -11.904 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 9.531 1.190 -9.103 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 -6.512 5.250 -10.462 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 6.859 10.347 -6.967 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 -13.729 5.343 -15.508 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 0.601 -3.060 0.599 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 -4.485 -11.057 3.612 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 -0.671 -7.579 2.544 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 2.347 -0.088 -1.480 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 19.045 -0.259 4.098 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 -10.175 1.252 -4.425 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 5.371 -6.249 5.659 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 -13.453 -7.950 1.072 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 7.018 0.016 35.271 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 9.172 -4.078 -3.545 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 5.905 -6.983 -10.053 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 7.556 1.149 7.054 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 -2.124 -0.115 1.332 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 4.012 10.444 5.399 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 -17.500 -22.382 -9.739 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 -2.008 1.646 -1.446 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 -5.501 -2.046 10.278 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 -0.145 6.921 1.059 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 0.824 -5.250 -2.768 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 9.104 -10.866 17.815 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 -6.730 3.187 -8.170 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 2.352 -10.673 -5.151 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 -0.785 -18.925 -4.475 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 18.375 -4.261 5.930 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 1.558 1.812 -10.659 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 6.969 2.185 -2.002 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 3.007 1.885 -23.166 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 1.173 -0.360 -2.546 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 -4.984 -26.257 5.861 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -4.941 1.598 1.022 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 4.753 -1.221 0.975 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 8.509 -12.685 -9.960 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 -19.483 12.047 -21.594 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 -1.734 4.244 2.718 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 -7.859 21.446 -16.764 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 5.722 -1.422 14.039 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 -0.139 4.101 5.153 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 2.004 -19.276 0.987 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 -13.013 10.982 -11.062 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 0.650 -1.261 6.271 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 -10.113 -10.585 14.371 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 2.273 -0.213 5.601 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 1.103 -3.970 -0.086 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 3.940 -2.414 12.794 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 1.900 -0.633 7.593 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 5.290 1.950 -3.017 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 9.782 -1.112 -0.826 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 -3.148 -5.364 -5.579 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 -3.126 3.994 -3.452 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 -5.212 6.943 8.457 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 7.946 34.414 2.088 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 1.281 0.276 3.274 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 -2.671 -5.719 1.791 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 -11.583 -4.221 1.774 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 -3.554 -4.381 -3.131 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 19.252 -7.451 -4.110 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 -3.606 -3.901 7.156 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 -4.983 0.506 5.586 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 -2.069 -7.518 6.656 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 -14.268 -9.253 -12.852 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 3.352 -6.789 6.232 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 2.750 -5.808 7.222 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 -8.640 9.391 27.330 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 0.254 -3.650 -0.324 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 5.384 16.043 -26.383 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 -10.624 -11.820 18.505 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 -2.275 2.303 -5.299 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 -17.074 -10.917 -7.842 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 -15.776 2.585 14.908 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 -8.525 -0.060 4.918 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 5.825 -28.039 16.334 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 -2.723 -4.627 10.578 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 1.196 -0.566 -3.840 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 0.229 1.101 -0.502 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 2.609 -9.951 -6.739 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 -3.450 -3.620 -1.387 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 -3.793 -9.253 8.919 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 4.688 -1.951 -15.377 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 -2.784 -3.080 0.570 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 -13.845 -0.719 -0.802 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 3.736 6.512 10.301 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 0.006 3.712 -0.546 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 -10.127 -27.940 -14.903 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 33.613 28.022 -11.497 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 -7.572 -2.324 -6.125 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 -0.155 0.908 -16.252 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 5.561 -1.038 -20.289 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 1.248 -3.489 2.025 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 -4.518 14.072 -2.517 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 -8.755 -7.448 -8.195 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 0.502 0.114 -0.132 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 -3.028 36.346 24.231 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 -6.125 -15.971 23.455 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 -4.333 6.233 0.459 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 -1.375 11.702 11.604 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 -1.478 -5.488 -6.076 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 8.292 4.111 3.815 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 15.130 4.499 -4.020 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 12.102 2.282 0.922 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 -1.727 -5.216 1.019 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 -8.500 -1.102 -0.693 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 -4.411 -13.260 3.158 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 2.061 3.725 1.699 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 0.469 10.247 4.888 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 6.532 14.800 -1.712 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 2.392 0.281 3.954 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 -3.114 5.062 2.788 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 0.715 -1.480 8.252 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 1.411 0.633 -5.406 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 2.648 -8.555 16.909 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -8.916 13.853 -8.563 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 5.213 -0.207 -0.297 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 0.394 12.620 -3.400 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 -16.074 3.223 2.703 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 -2.727 -3.936 2.804 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 -10.567 -1.859 8.482 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 20.090 0.343 -0.422 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 0.032 4.072 -1.443 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 -6.432 -2.733 -10.057 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 7.416 11.210 9.789 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 -2.912 -1.054 -0.861 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 -2.904 -7.796 -4.306 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 1.276 -1.416 -2.777 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 -3.273 5.266 2.427 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 -6.317 14.873 -20.485 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 -1.112 -11.477 -13.966 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 2.754 4.191 -0.310 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 -7.949 -11.676 -2.768 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 -9.715 -8.817 4.312 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 -1.257 -2.397 -6.211 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 -1.110 -8.222 7.813 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 -0.417 -18.748 20.503 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 -6.957 0.729 -4.046 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 -7.875 -3.035 -1.497 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 -4.157 -7.019 -3.725 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 -6.227 -5.182 -3.828 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 -35.940 -12.970 26.025 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 4.297 17.696 -6.162 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 -1.904 5.889 -0.703 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 -6.583 30.830 -13.615 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 -2.762 8.606 -3.639 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 -5.143 -0.884 2.108 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 -1.009 14.202 5.224 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 -23.518 -24.790 15.191 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 1.709 1.065 0.103 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 0.529 9.150 16.354 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 8.268 15.720 -10.178 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 3.608 0.686 2.204 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 -0.065 -11.919 14.494 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 -2.330 -1.189 -1.411 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 0.746 -1.963 2.226 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 -0.982 -0.101 -3.817 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 12.664 8.603 -14.597 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 -0.296 -5.183 3.663 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 1.336 11.461 12.448 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 -22.632 -10.669 -1.103 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 1.135 0.529 2.945 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 -30.924 0.752 0.606 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 -15.399 0.967 2.616 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 -4.819 6.559 -4.256 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 9.346 10.374 -4.011 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 -17.071 -0.254 -22.531 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 0.153 5.522 5.334 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 3.176 4.464 12.982 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 5.653 6.509 8.332 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 6.748 -1.692 2.674 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 37.262 -18.363 -19.000 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 29.048 7.371 0.640 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 -7.132 0.058 3.030 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 15.874 -2.548 -13.657 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 -23.185 15.977 -14.051 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 -0.906 3.049 6.877 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 -14.189 23.484 1.981 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 12.610 11.050 24.980 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 -2.157 4.225 0.296 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 -2.399 -11.938 -0.868 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 -20.784 3.864 8.725 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 -5.598 6.308 2.175 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 -2.184 0.459 -7.474 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 -12.167 -9.867 -1.565 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 4.430 -5.115 -4.855 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 0.273 -10.122 -0.159 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 4.656 -2.976 2.687 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 3.333 -0.253 1.448 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 -14.335 -6.645 2.274 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 -2.508 3.342 -9.182 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 -6.566 -3.494 -10.188 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 -13.441 -2.749 -20.667 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 -1.728 -4.529 -0.839 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 -0.428 -5.308 3.316 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 14.950 9.470 -25.015 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 -5.924 -11.279 12.744 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 4.677 -5.546 -1.466 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 5.677 -4.899 0.212 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 16.807 -2.280 -21.887 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 2.082 -0.788 -0.995 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -12.159 -5.934 2.292 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 -2.353 -17.624 0.278 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 4.421 1.242 5.788 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 7.031 -15.024 1.167 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 -8.048 1.944 0.424 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 -5.639 -3.656 4.154 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 22.794 3.434 -4.363 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 -27.851 8.491 -5.827 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 -5.157 -1.584 -1.579 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 -4.893 -0.920 3.288 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 -8.945 -6.910 12.371 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 1.750 0.760 3.918 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 0.198 4.328 26.346 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 20.166 14.029 10.108 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 -2.278 4.363 -1.133 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 7.771 -0.026 -1.685 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 2.439 3.384 -5.521 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 1.794 0.576 -7.471 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 -2.592 2.487 -8.034 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 -0.178 -3.653 -10.366 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 -10.639 5.080 -4.358 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 -10.701 14.355 3.165 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 -2.432 3.604 -15.656 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 -0.679 -7.270 -0.034 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 -8.318 -9.795 9.341 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 4.326 -0.433 5.091 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 3.297 3.748 3.886 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 5.634 6.310 6.298 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 -2.403 -8.411 12.762 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 2.975 10.704 -1.175 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 7.892 8.940 4.809 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 -5.381 15.987 -11.770 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 -2.736 3.618 1.135 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 -9.381 -15.117 -2.133 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 4.644 -11.346 4.236 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 3.974 0.598 -0.555 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 4.764 1.852 5.678 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 5.825 0.895 -7.423 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 -1.419 -1.192 -0.843 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 -23.601 4.697 -19.477 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 7.293 25.562 7.631 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 -0.486 0.011 2.819 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 -10.047 -8.198 -1.493 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 -19.156 9.105 -0.095 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 -0.565 -5.123 -2.864 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 2.102 -3.344 -7.448 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 3.657 -3.555 -0.757 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 -0.387 1.247 -2.871 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 4.489 -5.791 4.648 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 -6.375 10.973 -10.131 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 2.790 5.669 4.543 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 10.898 -1.035 12.483 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 -6.892 -1.192 -7.160 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 5.187 -3.262 -0.034 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 15.042 6.384 -18.939 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 18.105 4.947 17.425 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 2.078 -0.498 5.919 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 -20.805 5.443 1.674 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 18.932 -0.936 3.020 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 -3.046 0.555 4.391 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 6.915 -1.593 -5.596 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 6.910 -1.331 -10.615 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 13.755 4.222 1.858 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 1.067 4.203 -4.107 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 5.982 -6.630 9.817 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 0.054 3.623 2.892 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 10.607 17.482 -13.755 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 -3.531 7.380 42.274 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 -3.454 -3.553 -2.912 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 3.352 2.256 6.825 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 10.549 9.796 23.149 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 -2.100 -8.610 0.404 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 8.156 -0.304 14.651 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 4.862 -0.710 14.367 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 0.770 -8.394 5.643 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 -12.959 -14.286 2.155 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 0.885 -8.869 16.128 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 -3.519 1.410 6.229 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 -16.109 2.083 -14.487 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 -20.894 -7.584 13.809 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 -3.064 1.576 12.513 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 8.915 -10.014 20.456 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 -1.054 35.344 -3.308 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 1.423 5.439 1.561 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 9.687 8.576 6.535 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 -4.681 2.032 -2.306 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 -3.098 -1.861 2.796 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 15.780 5.373 13.846 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 7.671 -20.782 5.089 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 -3.679 4.852 -2.653 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 5.686 -1.619 6.982 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 -7.772 12.149 -6.655 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 -3.987 4.627 -2.295 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 -8.632 -1.690 -17.962 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 -2.192 12.158 16.663 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 6.583 0.223 0.626 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 -3.544 0.180 -15.524 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 3.422 1.573 -2.977 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 2.822 0.648 4.039 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 -23.799 5.275 20.245 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 -6.610 2.559 14.805 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 -2.282 -0.147 5.517 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 2.525 -4.599 -12.259 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 -5.955 10.256 18.003 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 -1.530 -0.885 2.996 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 -2.081 -20.073 -11.354 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 -2.044 -4.518 22.701 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 4.832 -2.568 -3.659 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 -0.784 3.102 -4.683 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 0.836 -7.038 -0.696 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 -4.032 -6.729 2.375 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 -15.930 -8.780 -27.923 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 28.118 -13.017 -0.526 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 -2.719 3.077 0.956 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 23.022 13.862 2.576 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 10.318 8.372 -25.119 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 4.186 5.356 -2.408 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 4.737 9.393 27.400 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 19.457 1.167 1.417 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 -3.180 5.107 -4.579 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 -8.427 2.259 24.618 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 -14.992 16.293 -4.261 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 1.204 -1.274 -1.761 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 -34.335 28.588 0.469 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 -0.382 -6.571 -0.958 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 2.746 -0.149 1.814 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 25.081 -8.394 3.083 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 -4.831 -0.495 -1.243 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 -2.971 -9.325 -0.296 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 15.709 -4.023 0.917 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 3.697 -22.377 9.298 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 0.283 -0.799 6.547 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 -2.635 -3.974 4.151 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 2.972 2.759 8.280 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 -4.963 0.241 3.312 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 -0.677 -0.232 7.462 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 -16.758 -2.887 6.678 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 -3.669 5.215 10.535 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 -13.143 -0.828 -0.094 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 3.769 11.831 25.716 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 0.371 -2.011 -11.846 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 5.259 11.098 12.825 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 0.202 11.845 -16.760 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 4.314 2.451 -4.739 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 2.453 0.212 14.980 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 12.536 -3.345 31.977 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 0.252 -5.347 2.486 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 7.345 -2.032 5.507 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 -0.927 2.874 7.165 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 -1.832 0.918 4.640 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 -13.328 12.999 -10.639 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 2.519 -17.281 19.773 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 -0.386 0.769 0.147 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 3.409 12.516 22.673 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 1.315 2.501 -16.553 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 11.338 -0.897 -3.630 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 -0.797 23.959 -4.315 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 29.499 25.132 4.785 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 4.521 1.221 1.992 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 14.077 -0.144 9.749 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 -11.375 10.017 -15.579 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 -1.072 2.728 4.599 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 -15.503 -10.091 19.885 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 8.357 4.608 14.754 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 1.426 2.776 -1.504 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 -7.540 22.035 13.702 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 37.300 0.757 -18.752 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 0.169 -1.996 -2.910 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 3.415 10.116 2.662 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 3.514 7.285 6.334 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 -4.559 -1.904 -4.820 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 -4.277 -6.600 -2.623 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 -8.022 1.965 9.042 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 8.839 3.004 -8.841 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 7.214 -12.438 0.128 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 11.079 22.463 -8.566 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 -0.048 -0.309 2.061 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 -9.152 -3.517 10.788 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 -7.438 -12.845 -10.640 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 -2.856 2.414 4.163 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 -2.259 21.427 12.537 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 -10.806 12.170 21.916 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 2.071 -4.711 -3.300 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 -5.225 -1.098 3.917 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 21.893 -10.715 -9.683 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 4.675 1.299 3.195 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 16.500 -12.441 -16.168 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 3.074 7.201 10.698 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 7.227 -2.329 -3.444 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 4.356 5.804 -4.137 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 16.254 12.071 22.461 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 4.296 -3.165 1.692 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 2.756 -1.011 0.982 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 6.039 -2.359 -10.354 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 -2.003 5.063 -6.865 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 9.704 5.007 -8.291 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 -4.969 0.806 -12.749 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 1.171 0.042 5.124 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -12.944 5.549 10.462 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 5.272 0.397 1.466 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 2.440 0.567 6.334 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 8.001 6.472 7.761 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 23.901 2.275 -6.049 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 -4.444 4.519 4.286 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 4.939 14.770 -8.715 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 11.915 0.672 2.023 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 6.146 9.457 1.230 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 -8.746 7.136 -1.516 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 11.885 9.425 -10.955 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 -1.807 -4.980 1.189 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 2.098 -3.397 -1.090 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 -0.687 -9.918 0.911 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 4.968 0.467 2.135 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 -5.523 -13.575 -3.671 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 8.225 5.569 4.655 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 -2.166 1.960 -1.507 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 -1.106 -17.307 22.239 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 -5.910 15.222 -3.069 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 6.791 -1.395 7.782 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 -14.069 -7.543 -3.353 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 19.716 3.520 14.807 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 -1.154 9.998 -3.695 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 -7.174 1.613 1.887 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 6.161 19.042 0.382 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 -5.616 -3.265 8.831 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 -16.441 17.928 -7.024 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 14.551 -14.849 -9.244 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 -3.064 4.239 0.824 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 4.103 -16.224 -11.853 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 -22.999 -4.369 16.096 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 1.385 1.568 -0.297 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 -18.912 6.310 2.439 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 -2.387 11.417 -0.818 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 0.999 -1.850 1.453 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 7.224 1.534 1.907 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 11.182 6.969 0.655 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 0.646 1.123 -5.941 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 4.372 16.686 -2.173 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 7.784 -10.774 21.264 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 -6.056 4.961 2.817 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 -15.929 6.505 -12.947 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 15.160 10.380 0.552 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 4.540 2.486 1.562 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 21.008 -8.594 -2.936 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 -9.325 -7.135 8.607 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 -3.475 4.752 -0.130 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 -1.820 6.264 3.894 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 -6.897 4.398 16.252 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 4.225 -0.009 -0.038 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 0.526 10.445 7.116 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 -0.077 -6.203 -15.718 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 -4.413 -1.505 5.577 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 -16.766 -7.124 9.302 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 -6.138 -10.828 10.572 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 -3.160 -2.475 2.325 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 21.722 2.279 3.376 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 15.418 -11.945 -1.769 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 3.623 7.219 -7.738 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 5.882 4.793 -12.818 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 -0.225 8.780 -2.024 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 2.078 4.339 4.831 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 2.243 3.562 1.404 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 -6.780 -4.647 -13.246 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 -1.235 -4.386 -0.978 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 0.170 -5.493 -9.460 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 -11.566 -9.759 -4.260 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 0.973 -2.639 1.811 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 2.320 1.551 -2.409 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 -9.864 0.784 -0.809 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 -1.628 2.237 0.700 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 -6.875 7.719 -8.866 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 -15.880 -23.303 -10.464 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 5.888 2.182 2.985 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 14.293 11.627 -10.909 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 0.433 1.115 -17.744 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 -5.824 1.930 -2.530 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 19.182 0.976 -12.703 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 -24.435 5.798 -1.230 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 -0.590 -0.614 -2.757 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 -10.522 2.537 4.315 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 -10.403 -2.032 12.553 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 10.794 2.350 0.870 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 -1.047 0.341 -22.536 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 12.827 -2.243 -18.113 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 -6.480 2.039 -6.927 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 -10.691 9.388 -1.216 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 -3.447 3.024 -15.334 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 -3.000 0.839 0.394 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 17.841 -1.189 13.158 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 -5.369 24.558 -4.214 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 0.502 -2.163 2.799 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 8.345 -0.216 -3.319 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 -0.791 -9.742 5.346 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 3.432 -3.019 4.437 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 8.343 8.589 27.102 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 0.048 -14.767 13.812 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 2.106 -1.894 3.935 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 -7.341 33.328 -16.115 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 -1.065 17.338 -6.315 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 4.157 1.280 -1.839 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 -7.459 -13.209 9.583 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 5.647 18.419 -8.910 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 -7.380 2.318 3.772 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 -32.126 10.384 -13.909 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 -26.249 14.873 6.252 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 -4.207 -6.297 -3.559 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 4.767 -10.092 -6.002 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 -15.894 7.064 -7.788 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 8.730 -1.431 -0.684 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 6.172 2.634 -3.429 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 -7.081 -11.456 -13.025 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 7.815 5.657 -2.361 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 -2.128 -1.852 -10.202 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 -7.784 10.194 -6.754 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 -0.189 1.986 -2.786 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 -38.466 11.387 4.978 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 19.604 37.353 0.369 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 -3.208 -5.582 0.691 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 -3.283 -13.109 18.645 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 1.170 12.122 -37.786 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 -5.761 -7.656 0.751 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 -4.992 11.589 6.794 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 10.496 -10.069 -5.628 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 0.820 -1.506 -0.290 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 5.220 -10.544 -0.952 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 -12.848 -17.425 -0.706 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 -0.621 -3.801 3.198 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 -17.744 -1.659 5.281 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 -23.357 -1.069 5.705 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 -1.495 4.342 1.201 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 4.427 7.805 -10.580 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 -24.520 -7.455 5.993 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 0.438 -7.047 0.568 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 24.725 -3.834 4.307 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 0.995 -21.717 8.771 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 3.746 -3.045 -3.722 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 7.974 16.489 -6.643 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 -5.126 -5.760 15.520 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 -2.600 -1.768 -1.071 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 5.162 2.702 13.998 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 -4.725 -10.662 -3.187 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 1.928 -1.538 1.876 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 16.917 -11.952 33.974 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 4.864 -3.638 5.110 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 -1.643 2.019 -0.990 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 -9.904 17.202 -9.643 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 -15.835 26.327 -4.963 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 -1.212 -2.497 -6.858 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 -2.530 1.400 -20.296 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 -13.167 -8.646 -3.785 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 -0.418 -1.660 -0.296 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 -12.300 10.123 -3.902 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 8.583 -12.280 -5.464 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 3.644 2.616 -7.787 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 -16.749 9.217 -19.630 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 -12.581 -17.395 -5.863 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 -1.812 -1.096 0.579 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 27.725 -10.042 -8.840 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 14.912 -5.991 -11.507 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 5.339 2.699 0.523 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 8.238 19.631 -16.969 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 1.175 35.040 2.042 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 2.296 -4.096 -3.686 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 0.664 -3.433 -5.207 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 5.018 -14.138 4.354 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 -4.739 -4.014 -1.360 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 -1.539 -4.814 5.287 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -4.564 4.182 2.688 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 3.287 2.548 2.261 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 -5.682 11.645 3.733 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 2.071 -3.206 -15.795 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 7.075 -1.610 -1.521 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 0.642 3.479 -3.356 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 7.201 -9.785 1.359 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 -3.788 -5.486 -6.264 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 17.691 11.365 -3.978 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 -10.501 -21.168 8.848 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 -5.722 7.597 -3.784 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 -12.177 0.129 1.659 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 -26.534 -11.458 2.432 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 4.527 -0.834 4.912 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 -0.244 4.050 1.408 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 -15.172 13.326 -7.201 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 4.707 -1.973 1.180 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 -13.807 -0.068 2.682 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -11.734 -14.070 -1.642 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 -8.640 -1.535 -1.532 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 -0.463 -24.075 6.003 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 -9.778 7.526 -25.470 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 -1.458 6.092 3.803 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 -14.580 40.695 27.700 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 1.031 -0.983 -0.357 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 4.024 -0.687 5.508 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 -7.476 6.899 17.732 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 2.653 4.120 -0.436 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 0.530 7.029 0.287 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 2.423 8.449 -6.961 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 -1.129 7.905 -6.094 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 -5.480 1.812 4.179 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 2.085 15.613 1.638 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 -16.486 -18.393 7.374 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 -5.295 2.218 -1.592 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 19.552 5.349 -2.395 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 -5.265 7.467 -4.479 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 1.359 4.295 0.372 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 -16.329 21.554 -20.924 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 31.338 6.509 -11.198 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 -2.006 2.605 -0.613 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -1.696 -14.575 -16.515 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 -9.471 0.608 0.591 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 0.545 -0.619 0.372 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 2.548 -2.121 0.330 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 13.143 7.456 -20.502 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 0.032 -6.405 -0.065 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 10.709 -11.321 -17.723 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 11.079 10.179 7.366 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 -1.214 7.804 4.377 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 -5.565 6.511 7.284 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 -5.221 7.917 9.008 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 5.898 -1.492 -9.921 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 19.664 -9.590 8.908 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 5.108 -2.226 -23.155 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 4.110 6.473 -0.456 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 11.043 -19.246 -16.626 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 -18.133 -5.292 6.089 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 1.119 4.860 -1.976 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 8.260 -5.566 -26.923 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 -10.170 -15.488 10.751 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 0.420 0.943 4.021 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 -9.398 11.869 19.961 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 13.530 -13.259 0.491 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 -5.244 -6.868 2.102 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 -8.002 -5.259 2.979 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 -0.919 -10.038 -2.445 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 -1.583 -0.192 10.569 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 -1.000 -0.110 11.212 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 -11.394 -23.588 -0.502 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 -2.502 2.271 5.518 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 -6.554 -9.949 17.071 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 -23.906 7.458 11.535 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 -0.022 1.328 0.251 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 1.152 -6.498 25.623 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 3.524 -25.638 -30.913 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 -3.219 -4.711 -3.371 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 -12.934 -24.513 -17.237 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 -9.239 2.421 -12.510 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 4.471 -0.814 2.945 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 3.916 -5.153 -3.863 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 4.071 -3.092 -1.021 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 4.648 -2.156 -2.173 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 -1.921 0.210 4.417 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 4.251 -5.579 -4.915 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 -8.236 -3.170 3.705 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 22.864 17.489 -4.097 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 -23.813 -7.700 -30.941 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 1.241 -2.975 1.877 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 9.677 -6.874 -2.242 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 -4.186 -1.952 7.277 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 -1.012 -0.948 -1.694 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 -8.528 -5.249 -1.672 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 -0.509 1.859 -7.586 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 -8.222 0.058 5.609 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 -21.568 5.656 0.937 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 4.205 5.681 -2.966 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 -3.424 -0.535 5.329 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 -1.523 13.845 -1.454 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 5.348 -15.037 -10.806 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 1.029 1.402 8.655 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 -6.617 -15.784 25.176 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 13.371 8.281 -3.666 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 -0.823 1.865 0.376 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 4.728 4.313 -14.711 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 -4.491 -22.420 13.145 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 3.838 -4.623 -1.945 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 6.894 -9.337 -15.126 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 -8.647 -2.131 0.735 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 1.990 -1.453 4.238 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 3.588 6.045 6.238 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 2.523 -3.996 4.721 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 -7.435 1.809 3.221 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 -7.575 -0.285 0.595 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 -2.361 5.299 5.258 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 0.805 -0.319 -4.039 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 -2.385 -10.375 -41.194 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 -16.132 -1.153 7.517 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 5.109 -4.885 1.459 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 -5.849 -6.006 15.028 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 -1.635 -18.852 -9.966 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 -0.500 -1.572 -4.062 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 -12.502 32.836 -21.071 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 0.962 8.308 -32.602 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 3.311 6.239 7.650 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 -8.633 -27.091 -16.710 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 -0.513 8.388 11.718 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 2.365 -1.756 -2.906 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 -0.860 -9.383 2.712 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 7.756 9.799 -31.734 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 -2.204 1.299 0.291 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 -11.127 9.600 -19.001 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 -7.259 -1.562 22.821 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 -0.720 3.872 -4.944 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 1.547 6.655 -32.317 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 -3.473 6.117 -10.405 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 -1.291 -2.812 2.295 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 -17.023 0.826 8.277 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 7.576 -13.559 15.397 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 2.627 -3.619 0.504 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 -0.130 0.903 11.498 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 -2.752 23.237 -10.590 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 2.477 6.551 1.703 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 -1.884 -10.171 8.383 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 4.721 7.738 5.462 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 0.113 0.889 -5.011 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 -0.468 12.903 -0.220 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 0.000 -6.978 4.374 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 -2.362 0.712 -1.928 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 -4.338 4.583 -16.439 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 -16.428 -2.516 2.963 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 0.907 3.209 7.177 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 -6.460 -7.631 10.167 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 -2.761 11.356 9.483 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 -2.697 1.566 6.106 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 -3.240 0.388 5.083 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 -11.112 -22.490 7.522 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 -9.519 -5.895 -2.268 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 -0.757 -2.554 -7.315 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -15.253 -11.412 1.349 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 0.198 0.652 -0.553 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 -3.332 -0.484 10.785 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 -18.948 -0.097 17.419 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 -6.981 -2.790 -6.826 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 -1.942 5.672 12.505 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 -25.653 -1.853 4.616 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 -1.334 8.714 8.965 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 -9.294 12.012 12.532 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 4.761 6.361 22.153 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 3.850 4.536 2.481 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 -1.535 -14.945 3.703 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 8.515 19.871 3.109 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 -6.719 -7.485 5.083 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 14.746 7.478 1.730 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 -6.492 -22.606 -1.945 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 1.324 -2.564 -3.111 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 3.084 21.275 -19.716 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 12.425 -20.811 -15.415 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 -3.924 -5.146 -4.980 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 -1.310 3.681 -28.460 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 15.772 3.337 -5.289 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 -1.630 10.173 3.060 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 3.066 22.376 -10.771 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 -5.339 5.651 4.896 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 1.470 3.791 9.127 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 5.325 -3.324 -4.564 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 4.141 -7.969 20.433 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 -1.137 1.207 0.987 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 -20.535 1.041 3.407 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 -1.498 -1.926 -0.741 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 -1.511 5.643 1.459 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 1.569 6.678 13.469 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 -2.843 -5.343 -33.386 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 1.585 10.943 4.477 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 11.607 11.906 7.778 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 -6.031 13.566 -9.289 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 4.165 -3.629 3.512 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 21.509 -5.923 2.707 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 22.981 -6.121 3.961 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 1.677 -2.135 2.124 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 9.428 -1.481 6.618 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 27.327 9.336 -2.468 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 5.511 -4.663 -0.049 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 10.843 -7.753 2.698 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 1.298 -7.809 1.507 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 -0.788 0.630 -0.465 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 -4.019 3.434 -3.465 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 -7.864 10.701 1.563 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 -3.673 -0.663 -7.620 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 -0.478 -6.603 -9.537 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 -27.414 24.373 -2.665 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 -2.071 -4.966 2.728 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 -20.106 5.776 16.657 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 0.763 6.161 -19.769 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 -2.595 -2.849 4.371 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 -6.991 -0.248 11.869 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 10.508 -4.571 -14.705 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 -0.163 -4.018 -3.733 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 1.605 -11.780 -6.103 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 -1.857 3.807 -1.256 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 -1.378 -2.012 -4.131 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 -6.320 -1.829 -2.873 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 -6.139 -3.591 -1.264 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 -1.806 4.161 3.870 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 2.153 11.030 11.580 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 3.196 7.630 -4.043 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 1.775 0.486 3.568 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 -3.912 24.748 13.135 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 15.917 -20.981 16.003 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 -1.646 -6.532 0.715 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 -8.688 -27.794 10.948 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 -1.761 -10.454 7.137 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 -2.860 -7.030 4.396 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 -11.233 20.299 12.389 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 0.926 21.157 4.775 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 2.361 2.958 3.877 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 12.266 11.232 5.023 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 3.319 8.892 -1.896 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 -0.581 0.961 7.310 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 5.897 -1.155 -1.639 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 -13.827 13.099 -8.890 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 -1.955 3.821 -1.422 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 -3.663 -6.909 -13.529 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 0.485 -6.315 8.385 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 1.117 -3.061 1.921 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 4.893 -9.498 6.894 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 5.857 -11.157 8.236 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 -4.492 3.279 -5.618 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 -21.576 10.548 4.438 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 3.781 -4.375 -11.511 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 0.205 2.962 0.552 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 2.589 2.067 -18.024 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 -21.520 -2.910 -16.445 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 4.659 1.256 -3.892 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 -1.190 -32.658 5.299 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 4.938 13.052 5.881 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 1.502 -0.837 1.199 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 -16.370 13.790 -3.258 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 10.911 9.152 4.078 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 -1.938 -0.439 -2.872 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 -22.808 23.907 -10.012 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 -19.261 9.903 -17.098 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 2.285 2.611 0.148 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 16.654 6.554 -11.596 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 -6.744 6.785 7.638 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 0.619 1.220 0.275 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 5.219 -9.356 -1.543 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 -2.952 5.510 13.910 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 -3.574 -4.664 -4.938 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 1.069 22.918 28.822 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 -24.997 -14.834 -9.822 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 2.776 0.060 -2.911 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 11.957 1.512 19.378 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 -25.723 -6.447 -0.901 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 7.084 5.202 3.812 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 -1.140 -10.618 47.634 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 -7.745 -6.509 -20.133 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 5.567 -5.749 -3.046 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 -2.912 -0.785 -15.228 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 5.444 3.961 -1.392 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 -0.065 1.329 -7.913 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 -18.702 -24.657 4.776 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 9.295 6.652 -22.254 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 3.415 -4.351 8.746 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 5.579 -4.689 13.020 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 3.786 -6.033 10.972 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 -2.557 -3.880 -2.253 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 -1.523 -9.933 -20.599 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 5.289 -17.567 14.053 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 7.968 5.138 -0.439 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 14.968 10.135 -10.396 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 3.881 -6.470 19.439 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 -1.220 -2.630 -0.170 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 11.038 -3.497 -6.010 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 -2.771 -1.208 2.370 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 -6.867 4.043 3.146 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 2.065 -13.339 18.619 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 -3.000 18.993 -5.444 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 -2.701 -3.968 0.363 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 -6.819 -5.482 -5.443 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -2.720 15.602 10.204 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 -0.397 -3.368 -0.851 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 -12.932 -13.388 -30.748 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 -0.780 -5.088 -2.639 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 0.142 -3.883 -1.427 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 -19.464 -8.582 0.713 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 2.663 4.627 -20.235 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 -4.597 3.263 -4.765 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 -8.270 1.400 -21.169 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 36.713 2.214 -5.652 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 5.237 1.401 -5.075 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 5.446 -9.631 -3.469 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 -5.701 21.743 9.084 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 -3.825 3.169 -4.276 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 1.060 6.908 -6.023 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 3.008 -1.283 2.274 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 -1.990 -2.437 3.018 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 19.903 -36.255 18.663 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 -13.795 -11.254 -7.261 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 -10.438 1.752 -2.140 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 -6.772 16.412 1.431 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 -6.431 -5.703 3.277 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 -3.336 3.711 -3.358 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 -8.984 -6.645 -9.503 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 -7.163 2.085 11.053 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 -3.519 -0.903 1.299 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 2.223 -22.789 15.614 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 0.792 6.408 -1.052 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 -5.039 -0.379 -4.605 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 1.743 -6.741 -12.781 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 -14.242 -8.090 -0.649 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 -0.909 -1.574 -0.351 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 -5.266 -11.205 8.381 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 4.488 2.043 -26.131 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 -1.576 -0.122 -3.093 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 -8.112 -7.662 -16.989 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 -1.953 -2.379 -6.522 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 0.463 3.698 0.485 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 -4.783 8.974 -3.548 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 3.327 -0.955 13.859 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 -0.969 -3.356 1.823 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 -20.960 4.738 -5.289 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 6.167 -10.324 -5.544 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 -2.247 1.239 -3.997 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 12.296 14.856 1.428 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 7.215 -18.354 0.793 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 0.817 1.041 -0.302 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 14.295 -17.337 -2.101 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 -0.949 -4.933 -5.054 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 0.085 7.111 1.710 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 4.694 17.701 -6.101 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 -6.660 -3.333 -0.314 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 1.334 -0.622 0.880 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 4.368 4.389 8.674 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 2.038 3.031 5.409 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 -4.854 4.421 -0.573 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 11.559 -17.797 3.109 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 -26.231 -5.824 0.773 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 -8.194 -2.910 -7.121 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 -16.931 -3.622 2.974 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 14.606 -0.403 21.338 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 -4.238 -0.617 1.358 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 0.701 1.948 8.732 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 0.216 -10.509 -2.901 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -2.031 1.109 -0.863 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 6.935 7.375 19.543 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 -19.387 12.414 -36.877 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 1.943 -4.556 -0.593 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 7.298 -16.154 -9.730 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 2.603 9.652 -8.275 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 -0.271 -2.678 -1.947 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 -2.898 -18.676 -17.614 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 -0.655 1.377 3.393 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 -4.649 -2.609 -8.286 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 -22.106 3.152 -7.842 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 -0.618 -1.945 -21.494 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 1.867 -4.929 4.592 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 7.474 -3.629 -3.440 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 -6.305 -28.693 11.906 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 -1.075 5.391 0.134 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 15.891 0.610 -1.059 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 5.876 20.973 -15.205 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 2.235 6.165 -2.840 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 6.918 -9.305 -6.661 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 -26.746 -0.434 -7.020 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 5.745 -0.152 3.782 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 7.931 3.504 8.204 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 5.312 11.587 12.282 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 -2.348 4.034 -0.685 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 -2.377 3.162 1.591 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 -2.697 4.534 -3.768 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 -1.942 -0.761 3.759 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 -4.848 17.051 16.334 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 8.541 -16.998 -18.538 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 -6.030 -4.854 2.192 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 -8.209 20.749 5.460 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 0.235 0.130 21.239 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 0.568 1.594 3.256 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 -1.097 5.625 35.440 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 -17.217 -10.564 -14.593 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 -5.090 0.631 5.852 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -15.560 -2.420 1.789 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 -3.843 3.231 8.459 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 0.539 2.512 -7.984 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 13.694 -2.522 -2.923 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 -5.886 -8.578 -17.544 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 2.372 -1.192 0.588 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 8.732 -1.437 -10.737 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 -0.996 2.231 -0.838 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 -5.520 0.933 0.354 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 -14.084 7.860 -0.898 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 -3.935 6.301 14.643 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 2.622 -1.777 1.430 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 3.708 -6.470 18.176 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 1.094 4.288 -4.844 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 -3.498 -7.248 0.404 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 -12.401 2.298 -11.308 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 -4.360 -8.414 -3.784 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 4.419 -6.810 1.950 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 8.161 -7.117 3.300 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 2.015 -3.587 -0.782 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 -5.952 3.690 -3.022 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 -3.277 -20.676 27.429 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 19.110 -0.388 13.486 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 5.723 -0.805 -1.853 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 16.656 -12.368 6.072 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 -1.986 0.274 -1.942 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 -3.555 -2.446 2.062 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 -4.044 -1.743 4.309 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 -6.231 0.929 4.217 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 0.053 -7.834 -0.802 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 -1.926 -6.901 -0.820 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 2.060 -16.277 10.731 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 -1.068 -4.070 -3.867 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 13.915 1.952 -4.262 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 22.799 -27.220 -18.004 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 2.536 1.273 0.599 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 2.026 -8.597 1.815 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 -2.985 -1.078 8.907 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 4.040 2.473 -0.127 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 -6.414 4.188 8.906 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 2.671 6.557 -6.936 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 -0.691 4.840 5.120 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 3.324 0.089 10.673 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 -1.770 8.484 1.903 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 4.066 0.165 2.022 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 -14.762 10.655 -20.746 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 18.757 -7.834 -11.587 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 1.362 1.695 1.578 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 34.528 -5.819 5.226 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 17.463 -3.912 11.205 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 0.658 -3.281 3.027 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 3.998 15.936 3.367 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 16.897 -11.838 -4.930 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 4.325 4.768 -1.426 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 -9.441 -0.038 -25.504 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 9.995 6.319 29.629 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 3.660 -6.222 -5.927 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 -25.651 4.730 5.471 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 -13.356 -4.492 -3.926 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 -4.241 5.434 1.073 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 -3.109 5.436 1.279 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 -12.376 0.698 -0.688 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 -1.162 -0.172 -2.221 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 -11.741 -4.774 17.802 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 7.053 -0.978 -9.473 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 -2.165 7.198 1.199 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 -0.788 7.791 1.681 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 -13.079 3.957 -1.183 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 2.518 -2.747 0.045 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 -27.772 -6.106 31.088 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 15.007 -3.926 -0.047 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 -0.095 -1.270 0.461 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 -27.144 0.721 -16.213 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 -6.372 -5.760 3.880 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 4.750 4.958 -0.097 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 -1.495 -0.666 12.356 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 -9.963 6.779 8.999 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 -2.526 3.844 -0.919 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 1.581 -20.244 7.940 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 -4.795 -1.282 1.544 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 -4.706 -6.602 -2.553 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 7.789 0.906 5.908 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 -5.322 -12.943 -12.886 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 -7.265 3.825 0.827 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 -6.860 10.196 -4.199 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 -4.062 -14.628 16.124 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 -0.877 -2.800 8.684 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 11.028 -29.631 17.936 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 1.966 16.139 -13.335 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 6.785 2.658 -3.086 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 17.911 18.792 -5.549 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 -3.478 -11.535 -6.641 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 2.902 2.689 5.602 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 3.211 1.184 10.907 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 3.196 13.552 -6.205 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 1.893 2.506 1.202 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 -11.797 7.597 0.394 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 9.044 16.934 10.787 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 0.992 -0.279 -7.214 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 17.881 -19.825 0.867 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 -15.291 -5.053 1.691 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 5.429 -5.750 -3.396 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 2.328 -15.074 -1.285 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 5.161 -3.181 -0.298 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 4.510 4.366 8.451 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 -6.845 -9.831 1.921 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 0.553 5.224 9.961 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 4.292 -2.341 -5.551 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 5.690 -19.849 -4.025 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 4.400 2.498 -8.612 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 -0.938 -2.786 4.109 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 6.991 5.931 -7.194 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 9.024 -2.885 8.377 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 -0.904 -2.292 7.993 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 1.770 5.019 24.265 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 19.252 4.684 28.245 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 -5.547 -2.179 -6.682 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 -19.403 -3.384 8.625 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 -23.220 6.629 10.519 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 -4.480 -0.670 5.538 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 -1.234 -4.867 8.661 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 -10.617 -2.633 3.561 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 7.391 -0.593 -2.531 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 11.102 -5.846 13.424 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 10.859 3.539 22.527 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 -4.312 2.870 1.952 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 -4.779 20.080 6.664 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 -8.886 4.567 1.005 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 0.940 -5.778 4.342 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 -9.739 2.368 -6.680 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 18.698 -24.795 15.330 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 -3.839 0.560 -3.609 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 3.782 0.136 1.207 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 -4.540 6.401 -3.932 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 -0.484 -6.189 4.383 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 -9.372 -18.339 4.600 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 -10.741 5.398 11.459 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 -5.460 4.038 2.763 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 1.108 -2.375 -7.453 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 -1.166 2.192 -0.343 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 -6.055 3.615 -5.514 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 -3.686 7.664 -4.458 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 -5.841 -0.744 -3.744 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 -0.507 1.769 6.664 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 -10.675 9.060 2.767 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 4.933 -1.366 8.809 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 -0.082 -0.007 -4.157 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 5.905 -4.680 -6.164 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 -1.061 -3.115 -5.386 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 -2.017 0.285 -3.168 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 2.936 -14.216 0.492 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 7.252 15.828 -5.179 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 -3.532 3.388 -7.399 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 5.644 -8.242 -31.569 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 9.201 -1.519 21.330 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 11.528 0.604 -0.730 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 -13.980 -6.627 2.135 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 10.708 6.207 27.147 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 -0.042 -1.412 -5.702 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 40.968 -13.205 1.421 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 0.702 -8.245 8.418 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 -0.387 -1.060 5.193 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 1.592 -7.397 1.591 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 -20.107 1.600 -6.837 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 -0.121 -0.622 1.833 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 -2.972 -17.635 24.249 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 -28.904 -16.397 -25.661 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 2.132 3.697 -0.457 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 7.576 2.218 -14.513 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 7.849 -0.194 -13.967 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 -2.951 -4.847 -4.024 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 13.969 -16.156 -4.721 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 -7.344 -4.407 21.062 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 6.981 6.349 -6.306 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 1.863 7.535 -4.442 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 -17.397 -1.271 14.641 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 -1.747 1.268 1.210 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 -9.482 -12.214 -4.614 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 -17.618 -8.333 -8.330 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 3.225 5.622 -5.056 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 16.633 2.045 -3.666 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 7.157 -1.313 0.110 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 0.286 -4.560 0.949 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 13.194 -17.859 -6.748 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 9.647 3.504 19.169 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 1.537 1.603 -12.923 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 3.555 3.415 -0.723 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 -10.149 6.824 -30.475 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 -3.038 1.360 2.786 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 -24.799 -5.649 20.717 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 3.170 10.910 10.559 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 -3.839 1.779 2.864 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 -6.837 -12.685 -31.640 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 10.088 8.261 17.715 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 -4.480 0.935 -3.875 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 -4.436 25.682 7.369 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 -14.577 9.369 -1.440 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 -3.927 -2.012 0.091 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 -7.274 3.049 15.813 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -9.415 -4.019 -17.412 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 -1.872 -1.978 3.399 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 -28.413 -5.368 4.641 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 -1.271 -5.981 35.162 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 -3.835 -6.980 -3.402 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 -1.878 -12.407 0.426 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 -7.066 -4.446 -7.637 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 1.556 -1.203 -0.700 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 14.399 -13.330 -3.775 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 -20.471 -9.860 -5.758 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 3.152 -1.065 -1.930 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 -9.819 2.563 13.550 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 3.161 -2.195 -1.178 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 6.060 -5.183 -2.456 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 10.457 -7.067 4.890 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 11.084 -13.455 1.968 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 -4.157 -1.212 -0.459 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 -9.796 -1.598 3.472 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 -5.193 -3.587 -4.948 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 0.023 7.312 -1.086 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 10.764 12.441 -5.133 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -0.895 8.846 -4.402 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 -5.688 0.763 -10.610 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 7.374 12.144 -15.838 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 -0.329 -0.925 -3.921 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 1.208 2.834 1.710 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 1.043 0.778 -0.218 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 -4.340 15.582 -6.745 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 0.566 5.803 -7.091 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 -9.028 1.981 8.934 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 14.025 19.639 -8.606 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 -6.057 -8.718 -5.915 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 0.840 3.077 9.173 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 -14.023 -18.965 -1.089 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 -7.818 -1.467 -0.992 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 2.678 8.484 -26.010 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 13.289 -15.623 11.559 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 8.212 -0.993 0.604 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 -15.815 4.406 -8.406 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 -7.013 -5.860 1.827 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 -2.814 3.454 2.540 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 24.234 3.229 3.460 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 -1.983 0.966 0.592 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 -5.287 -9.035 -0.992 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 1.702 3.430 -2.140 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 -2.791 10.384 -13.743 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 4.167 0.215 1.245 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 23.777 -4.974 -3.038 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 -35.313 11.817 9.121 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 3.613 10.771 1.038 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 3.283 -35.332 3.583 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 -17.021 -7.689 24.593 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 2.669 -2.592 -3.177 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 -23.408 1.476 -13.274 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 2.497 -2.134 1.510 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 -2.004 0.135 3.729 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 19.791 -6.528 0.019 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 -3.441 17.928 10.691 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 3.031 -0.810 1.868 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 5.103 5.438 -2.006 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 -9.007 -3.065 20.620 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 2.673 4.751 0.351 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 0.622 20.209 -0.805 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 2.031 13.810 4.245 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 -4.572 5.085 -2.481 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 -10.113 12.134 17.838 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 0.151 3.093 -13.880 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 -0.749 0.927 -0.397 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 -3.573 -1.800 1.475 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 -25.470 2.659 -11.314 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 -0.092 3.623 4.972 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 5.212 -6.037 -8.287 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 -1.055 18.210 -22.283 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 3.591 2.664 4.501 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 -0.096 5.018 6.648 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 5.569 1.760 22.323 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 -1.012 4.904 3.508 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 8.522 7.390 2.491 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 -12.520 2.418 10.027 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 1.543 -1.704 -3.438 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 -0.668 -1.146 -3.596 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 14.593 -1.754 2.040 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 4.217 -3.357 -1.762 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 9.685 13.924 14.806 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 -18.439 6.825 -5.983 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 2.721 3.079 -5.469 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 -1.904 2.512 -5.253 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 21.446 25.921 0.194 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 6.193 0.975 -6.167 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 29.244 11.681 -3.728 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 9.017 -24.440 8.119 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 1.253 -5.578 -4.810 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 -13.818 2.662 -16.253 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 -11.248 1.165 -14.332 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 -1.760 1.120 0.924 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 -16.662 6.684 -9.542 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 0.921 -0.341 -9.601 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 1.700 2.034 8.964 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 11.171 -13.420 -5.007 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 -3.348 19.146 -2.481 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 -4.446 -1.448 0.270 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 1.555 -2.866 -0.434 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 -2.677 1.537 -0.884 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 0.380 3.294 5.942 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 20.337 13.887 9.032 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 -30.258 -12.736 -0.717 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 -3.462 6.546 -1.032 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 10.011 24.029 1.929 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 18.961 -15.435 -12.532 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 -9.323 2.537 0.521 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 -3.885 3.903 -1.706 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 5.020 6.354 -7.310 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 -5.451 1.604 -2.967 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 6.799 -13.607 -8.172 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 -11.418 -10.628 3.912 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 -1.083 -2.532 -1.826 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 -9.368 -13.503 -7.751 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 -8.757 1.543 2.542 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 1.652 1.901 -0.615 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 -11.822 1.611 7.964 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 11.022 14.853 7.561 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 3.493 3.459 4.572 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 3.909 5.684 4.750 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 0.937 -7.884 3.328 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 -2.108 -4.331 0.871 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 -2.364 -7.492 -13.694 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 -3.948 8.660 -8.778 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 1.757 0.250 1.393 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 22.690 7.207 13.528 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 17.027 -2.747 -1.886 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 1.701 -4.866 -4.188 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 15.593 6.275 19.008 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 -2.831 -19.334 -9.301 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -1.497 0.627 -2.903 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 -5.236 -7.893 4.506 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 2.257 -5.701 -5.241 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 3.440 -2.916 -2.547 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 12.814 -8.329 13.142 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 -12.838 -11.331 -9.385 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 -4.758 0.339 3.309 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 -26.721 -5.423 14.240 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 5.560 -9.792 13.589 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 2.649 3.259 0.754 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 17.471 -15.200 1.683 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 -4.567 -9.679 -1.156 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 -1.883 4.372 -8.762 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 3.796 7.432 7.273 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 2.634 -11.570 -5.833 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 0.581 -11.086 -2.690 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 -9.622 4.992 -8.497 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 -15.561 5.038 -16.466 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 -1.168 -0.282 -4.198 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 10.448 10.346 6.404 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 -7.546 0.618 -2.749 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 -1.315 -0.349 -2.207 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 8.255 24.802 13.636 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 -1.879 -22.830 -8.148 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -3.948 -7.332 3.910 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 5.188 0.685 15.520 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 10.545 1.198 17.552 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 -5.072 3.722 -0.160 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 0.403 18.038 7.477 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 -7.334 -3.725 -1.953 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 1.566 -2.448 -4.201 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 8.152 3.542 8.939 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 -0.180 -18.855 -8.342 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 -4.339 -3.642 8.426 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 2.564 5.427 10.479 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 -3.357 -11.231 9.510 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 2.057 4.011 -0.511 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 6.736 0.611 0.095 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 -0.354 6.429 -11.144 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 -0.757 -2.610 -1.363 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 21.546 -4.324 -3.451 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 -7.964 12.216 -18.181 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 1.222 -0.793 -2.428 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 -20.477 -1.161 15.244 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 3.960 -1.123 -5.005 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 -3.629 -0.722 -0.607 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 -11.411 -6.422 -1.290 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 15.946 12.290 6.617 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 -4.826 6.310 0.553 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 -5.812 5.229 3.269 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 -4.910 7.909 5.125 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 -2.729 10.733 -0.831 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 4.553 15.483 17.514 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 -6.412 14.300 10.430 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 -0.577 -3.045 3.923 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 9.825 1.373 27.655 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 1.230 4.998 4.718 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 -1.485 -2.789 4.270 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 8.175 12.240 -17.086 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 -3.992 2.002 12.157 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 -1.211 0.966 3.255 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 -3.285 1.138 2.286 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 -14.867 4.694 0.883 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 2.333 6.756 0.937 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 12.212 5.955 -3.329 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 -0.800 -0.382 0.060 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 0.113 4.763 8.638 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 25.462 11.958 4.452 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 -4.726 13.281 0.732 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 7.305 1.240 -7.410 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 22.753 -18.585 6.740 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 -22.782 -3.427 -4.671 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 -9.247 8.616 -1.296 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 -7.237 5.112 -5.623 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 -14.826 9.692 -5.255 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 5.744 0.734 14.069 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 8.233 8.122 9.208 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 -7.241 30.643 2.202 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 -6.026 -9.399 0.269 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 -4.457 -25.948 0.833 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 -7.497 -4.260 1.786 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 1.023 -0.494 0.908 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 10.308 8.743 -8.799 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 13.298 -11.414 8.634 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 1.014 5.351 -1.013 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 21.736 -4.789 -19.740 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 -9.948 -11.605 0.154 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 2.043 -6.972 3.040 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 7.136 3.611 -7.610 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 5.337 -19.613 0.756 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 1.425 2.651 6.965 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 5.198 5.938 3.272 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 28.243 -2.693 -3.981 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 -2.316 5.752 -0.798 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 -6.156 -11.905 5.746 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 -8.513 -5.087 3.869 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 2.088 -0.789 -0.468 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 -2.389 -11.848 -9.340 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 -5.241 7.536 -0.275 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 -4.848 2.225 2.727 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 -21.203 6.620 -3.156 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 1.538 17.775 0.436 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 1.685 -1.198 -6.358 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 0.748 10.829 3.754 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 1.677 4.799 -7.958 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 -5.903 0.714 1.136 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 1.301 -11.410 4.245 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 -8.409 1.591 16.586 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 -6.881 0.825 -6.796 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 12.407 -12.118 6.228 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 -28.780 10.983 -0.673 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 -3.077 -1.526 5.104 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 -6.301 -2.126 13.589 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 -3.672 6.875 25.635 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 -0.808 -3.017 3.804 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 0.172 5.753 2.393 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 3.113 -7.590 -10.156 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 -3.062 -4.716 -6.887 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 3.341 2.509 -13.777 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 -8.674 12.048 13.671 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 -0.704 1.286 -5.279 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 0.776 3.912 -15.084 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 14.307 12.282 9.137 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 4.038 -8.196 0.485 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 20.764 -22.593 -1.377 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 -16.259 22.795 -4.706 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 4.375 4.119 -0.689 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 -0.029 -2.644 -7.809 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 -1.010 -3.757 -11.999 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 6.627 5.370 -3.337 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 -5.651 7.900 3.663 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 6.004 9.365 -11.107 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 -5.782 0.140 5.360 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 -11.529 -7.629 4.681 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 7.658 14.655 0.426 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 -1.646 -1.178 2.464 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 3.289 12.122 0.890 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 16.010 9.891 23.936 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 -5.816 0.016 -2.281 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 27.274 5.256 26.406 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 -5.476 0.102 -1.942 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 1.000 2.565 1.551 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 -1.842 3.503 8.945 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 -2.343 -4.614 0.479 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 -1.402 3.111 9.384 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 -4.025 -16.325 6.335 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 -7.929 21.726 -1.899 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 -7.374 4.486 -2.236 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 -2.284 12.445 -1.542 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 -10.958 -1.485 -2.171 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 -2.683 0.393 0.709 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 4.466 -5.331 2.881 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 9.831 -20.102 14.926 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 -2.201 5.178 6.962 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 15.043 1.644 -5.835 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 8.485 3.405 -1.191 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 -4.187 2.074 2.072 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 -13.217 6.701 1.167 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 -4.417 -12.257 1.641 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 -6.782 2.581 -5.863 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 -6.571 8.534 -28.551 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 -7.276 -2.510 -16.074 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 -0.894 -0.208 2.102 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 -11.699 22.037 12.446 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 13.078 -32.849 -11.942 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 0.965 -7.429 2.122 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 -3.084 -7.491 -5.052 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 -0.602 0.707 -7.524 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 4.277 -0.683 4.716 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 6.489 5.077 12.460 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 5.209 7.404 17.782 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 -11.570 0.641 -3.548 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 -2.355 -5.225 14.583 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 15.867 -7.365 -17.514 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 -2.595 6.701 1.846 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 -14.526 22.557 1.559 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 9.570 -9.636 1.266 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 1.284 -3.947 0.115 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 -11.760 12.977 -4.875 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 19.791 -22.898 13.987 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 3.091 1.331 1.814 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 4.374 -6.857 -2.156 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 7.504 -0.041 9.751 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 6.577 0.647 -6.032 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 15.143 -11.222 6.831 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 19.924 34.125 -22.260 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 -4.156 -5.630 -0.893 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 4.997 5.203 -8.945 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 -18.700 -15.871 7.759 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 -0.971 -1.968 -3.709 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 13.166 -12.678 15.130 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 -1.849 -15.785 -17.174 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 -1.915 4.168 -5.970 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 6.539 -7.034 -10.272 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 0.667 2.886 22.427 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 -0.963 3.008 -9.358 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 4.678 13.091 -3.742 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 13.651 -7.173 0.076 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 2.029 -6.392 -5.154 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 3.410 -7.794 -4.451 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 -24.470 7.913 -18.228 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 5.139 0.417 -5.652 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 -7.351 -34.176 -4.517 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 5.671 -6.493 -3.532 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 -1.090 -2.649 2.647 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 -2.350 -1.366 4.941 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 -1.245 -16.929 -11.543 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 -1.634 -3.903 3.191 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 12.679 8.793 -6.176 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 3.974 -5.690 2.557 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 1.850 -4.727 0.361 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 9.664 16.021 7.749 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 1.666 -15.485 1.324 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 -0.158 3.903 1.361 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 -7.203 -8.158 -17.842 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 -4.739 0.940 -6.869 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 4.580 -5.462 -6.325 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 -12.761 -16.987 -7.956 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 -2.091 -10.200 -9.021 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 6.199 -2.704 -2.903 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 2.937 -3.928 -12.855 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 18.854 -10.963 -1.139 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 1.686 1.969 -5.277 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 3.657 14.261 -7.107 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 -13.828 -6.257 -0.288 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 1.386 -2.465 -0.460 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 -1.271 -12.610 3.837 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 11.740 10.406 -9.268 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 4.829 -2.748 2.167 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 9.771 11.207 -5.787 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 11.793 -8.090 -1.169 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 3.427 -3.329 7.693 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 -2.957 1.373 -1.995 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 -5.494 -3.445 17.986 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 -0.853 0.404 7.374 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 -10.498 4.333 13.658 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 9.294 -9.885 -0.787 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 -3.638 -1.911 9.293 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 -10.145 -12.882 4.208 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 10.770 -8.287 2.228 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 -0.745 -0.707 -4.150 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 1.678 -4.648 -4.061 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 1.954 -9.963 -6.812 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 -3.080 3.769 5.013 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 -3.454 3.304 0.632 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 -4.447 -7.337 5.132 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 0.987 0.749 -0.240 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 -9.011 -0.546 -1.909 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 3.715 6.227 -1.913 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 6.231 -2.395 -0.247 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 -2.488 -6.227 -16.389 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 13.868 -7.176 11.247 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 -2.834 -0.304 4.981 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 -18.714 11.053 10.476 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 8.485 -18.622 0.763 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 0.422 2.244 2.897 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 -3.949 22.815 3.648 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 10.839 2.497 -9.879 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 0.567 -1.533 1.878 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 5.562 4.445 -19.510 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 -16.465 14.189 3.180 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 -2.126 -1.521 -1.961 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 -18.390 7.384 7.708 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 -33.517 -9.816 -5.581 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 7.834 -2.856 -3.710 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 4.203 5.415 -1.560 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 6.057 -7.493 1.334 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 -4.965 7.757 0.486 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 7.327 43.106 13.804 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 -1.934 18.697 4.491 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 -5.525 5.960 -9.658 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 -7.323 3.603 1.510 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 -18.075 6.020 -13.078 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 2.306 -4.859 0.910 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 4.178 9.234 1.918 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 10.092 -4.767 -29.515 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 -3.884 -1.263 -2.274 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 -3.029 8.869 -6.038 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 -4.851 0.810 -15.438 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 1.983 5.849 8.436 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 23.621 -18.450 -22.640 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 -9.183 -3.006 15.994 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 -5.883 -2.545 -5.730 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 -9.107 -5.016 -41.538 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 -14.143 -21.360 -4.099 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 0.787 2.161 8.222 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 -2.708 16.420 -4.152 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 14.903 0.368 16.460 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 3.443 6.520 -0.457 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 -0.602 1.796 -0.844 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 -0.995 7.113 7.939 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 4.985 2.645 1.226 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 11.407 8.080 -3.050 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 5.719 -8.893 0.866 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 -0.781 3.740 -2.054 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 7.696 6.792 4.693 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 1.850 2.280 13.144 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 1.407 2.406 2.672 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 -8.025 21.649 0.853 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 -6.767 -1.999 -14.382 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 2.184 -4.213 -0.749 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 -0.517 6.687 4.975 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 3.739 -0.790 -6.977 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 -1.714 -2.142 -0.433 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 3.854 -1.814 -0.998 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 1.092 -1.619 5.404 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 1.055 5.635 -0.405 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 4.289 -0.770 13.801 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 2.851 0.917 -1.999 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 0.915 -5.116 -3.830 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 -0.547 -0.573 19.793 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 -4.723 -2.400 -0.540 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 -0.900 -0.126 -4.528 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 4.838 -3.264 -9.010 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 -7.225 -2.153 -8.391 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 1.293 3.836 7.305 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 0.228 5.111 -7.010 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 1.942 16.734 12.800 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 -5.149 2.793 0.707 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 -17.339 20.108 -2.570 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 -13.689 -5.801 -24.040 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 10.141 -9.462 -2.498 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 -9.857 -15.557 -4.963 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 13.815 1.813 14.819 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 -0.558 3.074 -2.078 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 5.754 -6.008 -6.536 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 15.466 -5.581 -6.501 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 4.036 -0.129 0.778 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 20.869 29.134 3.080 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 5.232 5.442 0.890 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 -5.369 1.573 2.366 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 -1.555 -3.566 1.124 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 -6.863 -1.486 -1.540 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 -1.584 -3.890 -3.768 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 2.940 -9.453 -0.871 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 -6.522 4.005 0.541 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 2.838 0.415 -2.256 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 -28.302 16.602 12.996 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 -10.187 -6.950 5.336 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 3.128 0.941 -3.388 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 -17.936 -5.975 18.723 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 -2.387 10.906 -19.835 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 9.018 3.465 -7.842 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 -1.773 -9.565 -29.517 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 -6.642 -7.112 7.166 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 3.660 1.510 -8.914 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 9.593 -5.725 -13.945 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 -11.832 4.957 -6.556 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 6.809 3.926 -0.945 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 29.211 10.708 -5.752 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 11.741 4.777 -4.401 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 -3.637 0.086 0.759 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 -3.746 -15.385 0.248 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 -5.264 8.527 -1.028 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 0.260 -1.551 5.480 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 1.624 -5.214 9.638 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 3.427 8.533 21.875 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 1.112 1.874 -2.515 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 -15.037 8.292 -23.826 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 23.521 15.880 -7.701 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 -3.497 0.188 -1.702 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 37.473 -24.063 7.584 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 -5.876 0.657 0.411 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 -1.911 7.408 -4.119 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -19.731 10.784 6.984 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 22.568 0.041 6.289 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 -4.083 0.261 -3.592 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 10.777 -0.023 1.731 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 14.420 -1.086 4.585 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 -4.642 -1.625 1.911 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 12.176 -1.343 -0.745 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 -13.341 -8.140 1.789 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 -1.003 -3.738 -5.066 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 -4.247 0.279 -13.465 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 -3.322 14.767 -16.955 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 8.517 1.337 -6.400 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 16.142 1.815 -1.152 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 -15.604 -23.141 -0.073 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 -7.811 -0.281 2.874 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 -19.213 1.214 3.766 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 -7.605 10.414 -17.431 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 -3.478 -1.645 3.475 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 5.433 1.543 17.601 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 -11.492 9.611 -2.386 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 5.928 0.733 3.547 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 18.839 -1.117 -7.750 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 -0.075 13.377 -26.026 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 -2.799 1.276 -4.460 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 1.793 10.705 7.893 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 -11.135 -12.156 -7.720 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 2.222 -6.785 -3.859 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 0.235 -0.404 0.998 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 11.661 3.132 -8.017 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 -1.728 -11.156 4.928 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 -0.539 -13.684 24.326 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 1.183 -11.921 -19.483 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 0.677 3.536 -3.370 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 -0.425 12.009 5.859 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 8.159 -10.314 -6.854 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 0.279 2.193 7.349 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 -0.099 -1.974 -8.433 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 2.807 3.752 18.081 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 -0.420 1.915 6.906 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 -21.829 1.283 -7.151 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 18.239 -2.774 15.060 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 -1.769 -2.743 -8.127 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 -13.305 3.857 -9.281 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 2.113 -5.205 -7.971 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 -1.684 -2.668 2.658 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 -15.717 4.974 -38.127 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 10.436 -16.460 -7.302 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 0.020 1.583 -3.940 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 -1.193 13.062 3.848 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 -5.190 -8.808 10.255 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 3.814 1.394 0.353 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 -0.907 10.433 8.552 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 -6.182 -5.364 -12.988 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 -3.986 -1.162 10.171 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 -12.711 -9.652 -16.169 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 7.947 3.574 25.835 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 -1.375 -3.944 6.489 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 -1.415 2.067 6.909 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 -12.083 11.601 28.357 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 1.498 -0.966 -4.538 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 -1.663 5.653 -34.578 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 11.302 -2.119 -31.024 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 -1.645 -1.176 4.034 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 15.236 16.979 12.149 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 -7.249 3.513 -20.723 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 3.498 -2.915 2.997 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 1.038 -10.530 16.016 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 -2.079 -11.261 19.664 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 0.048 7.243 7.036 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 -21.195 -10.251 11.719 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 2.003 10.116 6.194 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 -5.235 -1.729 -3.761 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 -8.443 -13.383 3.652 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 1.805 12.947 6.930 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 4.360 3.991 3.619 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 17.033 -17.509 3.857 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 -0.028 15.538 5.896 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 -2.008 -1.974 -3.364 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 -11.590 -10.809 -1.608 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 -8.509 9.004 -8.016 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 -4.766 1.203 -2.801 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 -1.754 -11.815 -2.975 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 -2.271 -2.119 25.067 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 -3.682 -3.035 -5.079 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 -2.290 -3.145 -5.012 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 6.328 10.378 -8.764 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 1.398 -3.190 2.481 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 -0.205 -3.751 23.405 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 18.073 3.226 -4.644 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 -6.943 5.137 1.545 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 -8.432 6.366 -1.795 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 2.425 -0.523 2.367 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 -2.804 -3.937 7.024 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 4.757 -12.323 1.506 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 3.725 -12.746 0.769 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 4.693 3.029 -1.742 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 7.365 4.243 -7.541 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 0.017 0.427 7.428 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 -3.269 -0.224 9.124 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 -1.660 -3.146 -1.169 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -1.707 13.289 -2.165 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 0.907 1.857 -8.369 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 10.977 -6.756 3.171 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 -2.933 -7.622 -12.446 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 -0.324 -3.729 -0.960 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 2.136 -12.495 12.733 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 5.783 9.192 4.606 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 1.514 -4.470 -3.602 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 -27.121 -15.542 21.069 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 -0.346 -7.915 -0.497 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 -4.225 -0.562 1.367 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 0.628 -4.005 -14.584 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 -11.336 -16.404 7.187 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 -3.079 -0.753 0.010 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 -1.885 4.490 -3.838 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 6.398 7.324 -5.134 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 2.766 5.195 7.407 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 8.310 -14.502 4.866 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 -4.037 16.284 -23.047 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 -4.749 6.512 1.693 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 -5.263 -4.586 4.920 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 3.581 8.839 6.715 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 -5.100 1.977 -3.513 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 25.710 -9.057 23.523 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 19.896 -3.170 -12.673 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 2.053 1.345 -4.190 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 -2.670 9.778 -6.261 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 -6.796 -21.356 20.488 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 -0.426 2.428 5.028 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 2.109 9.540 2.956 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 -2.396 -0.354 -1.535 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 4.382 -4.031 -1.523 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 8.351 -9.769 -23.739 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 -6.500 1.935 -3.312 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 3.691 6.214 8.380 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 1.471 6.934 12.927 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 1.501 7.010 13.815 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 3.057 1.252 -1.430 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 6.628 -15.546 0.487 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 -3.722 22.178 -6.952 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 -3.668 -2.220 -6.254 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 -5.389 -2.885 -20.487 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 10.251 -7.214 -6.306 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 13.388 -1.900 7.170 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 14.994 2.033 -6.178 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 11.683 7.544 -31.975 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 -5.514 -5.316 2.465 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 -6.186 -28.759 -4.025 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 -6.605 11.336 -10.174 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 -0.676 5.403 5.326 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 -29.558 -15.661 11.958 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 4.557 9.248 4.730 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 -1.017 -3.037 -0.592 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 -6.436 10.073 -6.624 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 -0.565 -1.647 -8.746 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 1.821 0.841 0.214 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 2.250 14.871 -2.998 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 1.461 -1.619 2.381 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 8.135 6.998 1.369 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 1.820 6.529 -8.871 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 -6.184 10.608 1.745 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 0.507 -1.168 1.462 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 -6.767 -10.068 2.214 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 7.252 -11.485 11.771 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 -1.373 1.288 -0.355 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 3.399 13.445 0.085 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 2.351 -10.823 6.184 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 6.912 -1.255 -3.158 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 1.581 -0.709 -6.047 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 10.377 -4.178 -7.019 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 -0.678 2.532 3.498 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 -1.270 6.574 -9.564 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 -5.748 -6.395 -16.048 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 2.659 -3.156 2.530 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 2.307 12.092 -2.077 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 10.424 -13.337 -19.984 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 0.315 0.679 6.187 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 -9.671 -37.921 -7.868 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 4.495 13.867 8.288 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 -0.010 6.888 3.006 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 -4.761 12.427 -13.287 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 2.757 -10.943 2.731 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 2.894 2.108 -2.261 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 -3.557 3.210 -12.952 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 10.412 4.638 -1.815 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 -4.589 1.131 4.264 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 -4.446 17.653 30.185 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 -5.343 11.070 6.110 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 -3.797 0.326 5.800 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 -14.210 -8.838 4.615 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 8.453 -3.475 -5.213 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 0.096 -2.636 2.556 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 -1.903 -3.913 6.941 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 -10.506 -9.565 15.436 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 0.649 -1.527 3.433 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 3.994 -16.564 4.660 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 -10.221 -0.235 14.484 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 0.575 0.611 -3.119 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 1.712 7.591 -3.035 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 1.916 0.684 -1.006 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 6.770 2.777 3.604 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 8.672 1.510 3.526 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 6.990 3.785 1.557 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 5.334 3.213 6.242 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 -9.287 4.726 11.718 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 -1.961 21.956 26.547 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 -3.106 0.565 3.992 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 6.295 5.045 8.433 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 -11.438 0.121 -3.498 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 3.633 0.329 -7.012 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 -10.362 -10.283 -17.413 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 -11.209 -20.758 -3.955 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 -7.083 -4.114 -5.104 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 -11.399 -3.373 -3.433 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 25.929 -20.989 -2.773 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 -1.152 -0.568 -1.082 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 -2.330 3.809 -10.575 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 4.059 9.478 -3.502 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 2.877 1.610 1.617 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 -7.103 0.270 3.734 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 9.683 25.137 -19.046 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 5.687 -0.490 1.277 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 0.358 1.379 -0.124 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 0.517 -6.654 -7.490 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 0.361 -3.149 5.201 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 13.772 12.346 5.335 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 2.311 -12.614 5.881 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 4.084 -1.345 -0.791 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 13.845 1.708 1.219 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 -14.095 -9.277 3.878 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 5.264 -0.775 -7.484 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 -13.393 1.211 16.030 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 -13.779 -9.320 16.864 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 -6.824 1.793 0.087 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 -0.469 20.725 20.788 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 -19.795 -18.608 -12.962 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 7.012 -4.255 0.106 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 19.206 -8.704 0.439 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 10.811 26.990 15.201 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 -0.152 5.794 2.215 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 -0.828 8.420 -3.871 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 -4.624 -0.417 5.512 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 1.404 -0.229 -3.090 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 -1.538 14.451 11.519 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 3.055 -5.498 -13.238 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 6.908 -1.003 -4.536 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 9.634 -4.628 -8.709 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 17.008 3.401 -0.860 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 2.978 0.231 -0.374 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 3.736 0.294 -1.606 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 2.256 1.325 -1.473 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 -3.920 0.285 15.908 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 2.229 -1.078 -9.033 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 6.188 -26.459 7.146 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 5.423 0.963 -5.023 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 -7.560 -20.146 6.737 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 -1.641 -6.390 5.509 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 -6.293 4.112 0.774 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 1.113 5.336 4.772 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 17.647 -15.231 -20.321 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 8.871 6.046 7.941 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 9.891 -8.979 5.626 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 -1.502 9.196 -0.382 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 -1.098 -1.316 1.778 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 6.981 2.846 3.495 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 -5.852 7.073 3.346 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 9.396 5.757 7.161 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 13.600 3.798 8.169 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 6.925 0.959 3.857 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 -2.463 -0.224 5.144 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 -13.155 -7.619 12.120 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 -7.916 13.331 4.994 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 2.457 -2.613 -1.526 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 4.819 -3.591 -3.113 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 7.408 -9.386 -9.837 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 -3.683 -4.165 -3.439 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 -5.445 3.015 -2.875 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 -0.805 -5.857 3.292 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 -0.789 -5.201 -0.430 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 6.945 -23.633 3.902 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 10.293 3.518 1.816 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 -7.614 3.325 3.189 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 -8.600 5.020 10.445 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 12.243 -4.983 6.600 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 3.307 -7.757 -0.231 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 -0.488 -15.583 8.990 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 8.228 -1.090 -13.555 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 9.333 0.608 -5.354 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 5.161 -3.995 -13.336 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 5.916 -8.116 -2.946 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 0.840 4.592 9.699 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 -3.870 10.588 -14.410 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 1.957 0.969 47.404 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 0.722 0.397 -4.721 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 2.744 1.024 1.845 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 8.051 0.535 12.784 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 5.181 -1.820 5.835 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 -6.563 21.783 -7.552 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 3.290 -21.616 -5.847 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 -5.556 0.212 -2.616 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 -23.155 -1.464 17.042 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 -27.661 -42.682 5.382 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 3.687 3.063 -0.864 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 17.372 12.368 -7.322 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 -10.526 4.475 -5.514 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 -2.653 -0.414 4.203 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 -8.738 -9.603 7.507 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 3.603 9.518 0.610 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 3.396 -4.263 1.759 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 -3.672 7.862 3.716 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 3.733 -6.025 1.087 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 -0.091 1.440 0.506 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 -8.351 0.262 -5.829 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 0.114 7.048 5.239 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 -2.822 -1.588 1.319 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 4.755 -3.996 -7.267 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 7.579 0.691 7.852 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 1.346 -4.736 3.710 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 -16.534 -2.708 -6.018 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 4.450 9.391 20.110 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 -4.197 -0.088 -3.150 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 25.096 3.798 -3.293 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 4.091 -8.667 -10.024 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 6.706 -2.866 6.291 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 4.829 -4.062 -18.104 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 8.005 -13.548 -13.151 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 1.298 -3.184 3.566 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 -5.918 -3.656 -6.427 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 8.067 -5.983 15.030 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 -2.378 -2.442 -4.594 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 -11.788 -22.380 -0.909 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 -6.819 -1.978 -1.601 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 -5.762 -2.304 -1.761 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 -7.939 3.323 -3.086 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 -7.930 -0.047 -1.055 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 0.502 1.569 -2.248 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 -7.950 -9.488 13.957 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 1.563 5.471 -2.016 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 -1.875 -6.810 0.012 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 2.399 -14.593 -20.892 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 14.075 -23.555 -36.684 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 3.275 -6.295 6.508 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 9.866 15.925 11.190 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 5.228 -20.157 4.052 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 1.573 -4.354 -3.593 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 -8.784 -24.402 -3.430 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 -4.705 16.110 -7.284 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 -2.835 -2.516 -1.967 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 4.932 -5.789 16.706 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 -9.538 -8.951 -17.217 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 -4.987 0.341 -1.859 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 -31.488 18.830 -25.621 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 14.938 -1.227 -16.747 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 -4.049 -4.005 2.908 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 -6.877 4.234 12.529 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 1.341 -3.980 13.420 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 -2.760 6.387 -0.949 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 0.841 11.430 -16.942 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 0.293 9.057 0.853 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 0.199 2.082 1.539 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 -15.484 0.180 20.346 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 7.135 -23.644 -2.558 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 2.840 0.114 -1.601 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 5.628 -2.188 -3.037 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 -2.219 26.506 -2.704 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 4.154 -3.429 -2.348 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 4.119 -1.121 1.975 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 -1.650 -0.537 -3.900 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 3.015 -0.620 -1.129 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 2.529 18.711 -3.717 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 -0.147 -3.796 -6.287 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 0.856 -6.065 3.050 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 -0.855 12.926 19.327 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 5.063 0.417 -29.717 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 2.588 -3.617 -5.983 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 -20.546 -6.664 3.084 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 3.069 6.324 -11.589 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 -6.095 0.525 -5.481 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 -9.528 -2.136 -0.656 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 -0.075 7.665 -18.927 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 -5.961 -2.559 -2.986 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 -23.673 -16.086 -3.451 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 0.632 -25.056 19.211 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 6.261 3.955 0.728 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 0.435 -22.368 -1.673 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 8.897 9.721 0.930 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 1.767 4.684 -4.591 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 -34.429 -7.612 -15.522 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 4.743 10.585 7.128 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 4.927 7.902 0.512 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 6.853 9.598 12.755 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 -2.075 1.715 -5.156 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 2.767 0.157 -4.706 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 -0.137 3.736 4.240 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 -4.254 2.452 8.031 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 -0.310 2.688 -1.421 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 12.803 5.261 -2.538 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 -27.331 -10.935 13.280 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 -0.865 -3.413 0.221 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 19.902 12.959 3.250 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 -18.615 -10.982 -3.805 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 -0.087 2.885 2.925 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 -4.793 21.018 -4.835 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 -12.131 -3.013 -2.671 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 -1.340 2.975 3.669 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 5.795 22.097 10.011 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 -18.818 -8.971 -11.758 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 2.169 4.848 3.334 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 2.902 13.456 -3.172 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 6.241 -2.848 -2.507 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 3.188 -1.411 5.157 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 3.482 -5.930 8.928 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 1.879 -1.741 1.393 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 -3.636 -2.568 0.786 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 6.495 -18.815 13.699 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 8.514 -2.778 -19.132 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 1.960 -1.983 2.739 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 -9.274 -7.190 -15.771 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 -1.064 -0.064 -15.106 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 0.433 1.706 -0.083 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 0.300 1.669 -0.033 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 -13.331 10.865 8.173 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 3.548 -1.024 -4.795 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 -23.340 -35.932 9.987 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 -7.520 -12.353 -35.617 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 -2.998 -2.342 2.148 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 2.489 -7.477 4.853 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 -6.783 0.146 9.030 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 -2.812 -6.123 1.703 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 -7.569 -6.761 0.159 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 3.636 15.861 1.963 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 1.389 6.939 1.415 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 -12.446 -4.615 -12.910 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 3.828 9.715 -1.158 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 5.169 3.987 5.106 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 11.279 -2.518 3.418 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 19.761 5.346 7.608 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 -2.528 -5.163 -0.692 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 4.512 2.061 -1.747 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 -0.817 -9.815 -13.248 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 2.452 -7.463 -3.064 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 -15.331 19.915 -8.152 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 -1.045 -1.643 2.134 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 -5.482 -7.550 3.170 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 -6.221 -5.060 -8.152 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 -5.798 -5.747 -5.230 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 2.169 -6.046 -1.638 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 -2.676 -11.678 6.647 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 -0.307 -11.613 0.368 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 3.889 -3.499 -2.826 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 8.373 -21.247 -10.015 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 16.801 12.740 -10.440 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 6.685 2.768 -6.199 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 18.287 16.966 -1.009 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 0.822 -5.444 9.517 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 0.236 2.365 -0.784 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 13.134 9.323 13.023 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 -12.231 -1.755 -22.506 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 5.539 1.194 -1.309 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 6.990 18.016 -8.199 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 -4.070 4.964 15.131 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 -0.815 -1.829 -1.430 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 30.343 -16.552 -7.722 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 0.539 -10.443 -2.007 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 -0.303 4.653 6.417 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 16.927 3.567 4.352 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 -26.445 15.713 8.741 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 0.725 3.722 -4.306 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 -2.030 2.895 9.216 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 -15.210 -4.527 15.145 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 -1.364 -0.956 -0.011 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 12.790 -13.693 -0.029 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 0.276 -6.569 2.769 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 -4.234 -4.412 1.966 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 -1.032 -4.597 -1.234 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 -4.434 -12.081 -2.565 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 -0.313 -0.085 -1.150 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 -2.795 -4.788 -18.815 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 12.741 7.575 -1.193 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 4.554 -1.682 -4.177 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 7.292 -4.293 -3.822 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 7.811 25.412 -18.022 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 -2.266 -2.101 -2.695 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 -5.607 -20.449 16.250 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 -18.143 -11.684 -17.079 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 4.702 0.787 4.970 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 26.022 12.221 -0.500 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 23.831 8.432 -9.253 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 1.868 4.070 2.608 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 14.247 12.436 -5.113 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 15.150 -2.754 -5.149 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 -4.252 -0.951 -4.236 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 -5.743 6.309 -13.389 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 -5.651 -9.679 -8.169 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 -7.840 -7.424 1.876 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 0.920 -19.200 21.500 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 -11.928 -7.657 -1.817 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 3.830 -1.363 -6.697 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 13.358 12.130 -16.561 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 -11.571 2.674 -5.052 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 3.731 -0.731 5.519 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 4.137 -10.218 6.361 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 12.817 -1.272 -35.921 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 6.180 -0.102 2.846 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 15.132 5.944 -1.211 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 10.526 -11.093 -4.886 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 -2.491 1.063 -1.694 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 -6.197 10.090 -1.510 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 -0.911 -2.539 -1.679 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 -7.089 4.731 -0.867 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 -0.126 -20.630 27.974 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 -26.540 7.510 -18.893 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 0.148 5.186 2.525 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 -4.548 8.525 16.338 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 2.307 1.583 2.884 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 7.382 10.025 -5.689 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 9.282 -37.631 -13.229 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 13.865 26.716 0.866 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 4.643 -4.125 -2.437 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 12.301 -7.422 5.197 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 -7.610 -1.078 1.132 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 -4.204 9.527 -1.257 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 -5.148 9.882 4.257 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 -13.140 1.916 -16.117 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 -1.025 8.282 0.848 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 -15.054 -2.363 -3.933 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 -12.835 16.195 8.239 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 1.799 1.569 -0.741 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 -14.618 -18.609 -16.120 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 -11.118 -13.638 -13.765 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 1.513 -2.176 2.388 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 1.601 -2.027 5.924 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 -5.046 1.774 8.023 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 -1.359 0.961 1.187 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 -2.585 -4.829 11.017 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 9.370 14.837 -2.879 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 -3.757 2.030 -5.375 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 5.410 -23.202 6.064 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 -4.104 2.998 -5.699 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 2.794 5.953 2.555 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 5.096 -14.840 22.749 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 -7.292 -6.296 -23.230 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 -4.715 -0.375 1.549 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 -2.887 1.099 3.580 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 -7.597 -3.845 -7.793 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 -9.054 -1.618 -5.243 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 -5.945 9.810 -6.323 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 -3.423 -11.833 -11.786 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 -2.071 3.006 1.622 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 2.521 -17.302 -6.614 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 -1.269 8.855 -23.890 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 -4.905 0.320 2.186 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 21.254 -7.368 2.360 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 -4.622 9.367 -7.526 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 1.358 -5.336 -3.296 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 8.286 -21.087 17.523 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 -14.516 7.218 19.929 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 -3.870 6.674 -0.504 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 -5.126 8.343 -5.436 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 -5.354 2.608 -0.608 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 0.206 -4.857 0.033 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 3.531 1.759 13.515 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 -9.314 2.153 -2.605 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 -5.106 -3.169 5.452 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 -21.115 -7.109 -9.956 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 -13.949 1.545 3.083 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 -1.481 -8.470 -0.255 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 -19.682 -10.049 9.184 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 11.388 -2.432 -4.791 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 -4.443 -2.243 -5.084 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 -0.378 -10.087 -24.980 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 19.682 1.959 19.037 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 -2.797 -8.079 3.037 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 1.426 9.832 -25.640 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 28.440 -25.090 16.849 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 2.377 -6.593 0.244 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 8.467 0.948 8.944 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 13.299 8.657 15.502 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 -0.415 6.175 -4.471 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 -1.070 -16.140 29.264 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 3.235 -4.880 12.758 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 0.703 -1.557 4.334 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 4.701 15.159 -6.310 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 0.994 14.746 1.424 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 3.526 -2.130 -4.374 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 -18.505 32.516 -0.347 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 -2.960 -9.448 -44.599 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 1.296 -0.241 1.763 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 -14.018 -18.394 -1.513 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 -4.608 3.365 18.197 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 -1.731 -1.969 1.649 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 -16.599 28.004 -3.410 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 -14.232 -8.526 -22.666 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 1.102 -3.149 -2.262 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 0.867 -27.543 16.546 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 4.932 0.754 -15.229 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 5.066 2.926 0.161 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 5.430 3.936 -0.367 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 3.626 3.281 0.605 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 2.831 -5.925 -3.596 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 9.670 -21.070 -9.736 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 15.588 7.713 -14.705 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 -0.896 4.390 -2.585 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 19.834 9.005 -2.314 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 0.860 4.632 -2.598 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 4.121 3.191 0.646 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 -4.265 -7.258 18.788 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 11.635 6.138 -1.671 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 7.520 -4.614 -6.549 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 -8.371 -0.829 20.296 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 12.526 -6.472 -15.113 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 0.162 1.834 -3.692 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 -31.190 18.387 3.475 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 -25.608 10.329 -1.577 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 1.627 4.706 -5.171 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 -3.112 -5.170 -5.580 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 -8.173 -7.157 -5.096 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 -1.888 -2.654 2.017 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 -8.557 1.537 10.501 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 -2.840 6.256 -10.141 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 -8.291 1.301 0.932 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 -6.520 1.665 -3.870 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 -13.577 1.263 16.116 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 -3.686 2.585 -7.463 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 -19.349 -8.406 23.273 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 8.465 0.236 -26.517 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 -1.112 2.992 0.066 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 16.188 13.536 -12.206 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 -4.647 5.103 6.058 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 -1.506 1.581 -1.117 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 10.348 11.682 16.701 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 -5.837 21.065 -5.436 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 -5.005 3.950 2.050 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 10.567 1.506 12.545 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -0.232 -3.292 27.761 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 -5.950 -5.170 1.423 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 -8.776 1.214 3.168 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 0.381 -4.418 3.658 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 6.398 -4.013 -2.483 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 11.933 -13.538 -19.743 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 20.763 5.573 -5.198 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 0.688 1.147 -10.247 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 4.451 15.669 6.524 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 21.877 -13.322 -16.186 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 -1.211 -2.929 -4.174 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 -7.071 -21.995 -15.059 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 8.690 6.220 -22.997 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 -7.768 -2.398 0.792 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 -3.772 -7.825 2.553 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 -24.473 4.664 8.458 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -0.373 -2.567 -2.568 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 3.991 -7.348 1.761 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 -8.236 -4.343 -1.930 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 4.770 -0.789 2.822 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 -1.915 6.243 4.014 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 0.825 5.543 6.852 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 5.788 -2.184 -10.358 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 6.287 8.876 -3.858 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 4.843 -4.408 -3.010 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 -5.505 -5.588 -0.882 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 3.540 9.148 -8.494 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 -11.123 -11.055 5.180 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 0.890 1.332 4.322 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 -11.089 4.571 -23.024 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 -15.165 2.441 17.774 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 0.545 6.292 -3.940 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 3.008 11.395 9.388 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 2.684 -6.543 -0.599 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 3.482 -0.285 3.895 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 3.215 -1.695 12.725 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 7.673 3.155 10.668 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 1.634 2.964 -3.499 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 17.111 7.279 2.063 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 -7.803 7.729 -28.453 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 1.711 -3.061 -7.647 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 13.090 7.980 -20.408 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 -0.823 -25.305 -26.929 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 4.022 -0.216 -4.748 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 4.680 2.611 0.111 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 32.443 12.346 9.605 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 6.176 -1.261 -1.061 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 7.373 11.473 -2.679 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 7.457 -6.966 -3.398 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 1.102 -6.157 -2.451 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 -0.894 -4.367 -3.258 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 -11.373 -0.721 11.386 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 1.030 -2.535 -2.481 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 5.260 -21.786 -7.604 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 -10.031 11.505 -13.065 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 0.523 -3.570 1.351 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 8.298 -19.763 6.354 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 15.295 6.540 -11.262 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 -2.149 -1.281 3.383 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 2.322 7.525 19.684 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 -7.426 -17.811 -34.291 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 -2.427 -2.481 -3.215 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 -2.432 -17.952 1.062 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 -16.121 3.790 1.056 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 9.027 -4.811 0.206 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 7.074 6.110 9.299 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 9.398 -8.939 -3.392 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 -3.661 5.623 6.696 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 -5.492 -10.218 -3.741 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 -3.096 9.210 9.144 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 -2.898 4.284 -5.402 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 14.258 18.066 28.367 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 4.419 -5.361 -7.954 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 2.199 4.224 -4.063 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 -10.713 -5.549 17.664 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 -12.973 -13.092 27.227 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 -1.494 -4.881 -2.435 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 11.536 9.947 6.218 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 -5.576 -8.075 -4.271 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 -7.806 -2.686 6.461 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 -18.749 2.965 -8.655 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 1.016 4.500 -8.719 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 1.262 -0.176 -1.074 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 5.636 -5.906 7.609 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 -4.335 -7.394 -3.915 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 -4.176 -4.439 -1.576 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 -13.384 -2.993 19.222 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 7.888 -1.347 -26.986 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 6.349 -3.336 1.123 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 15.428 -10.869 -11.362 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 17.404 -3.335 22.012 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 2.635 11.732 3.318 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 -9.433 8.811 5.282 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 8.995 13.419 1.200 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 2.404 6.240 -5.819 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 2.821 -42.958 -5.683 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 3.175 -23.784 -5.561 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 -1.998 -3.076 2.902 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 -1.492 -15.452 4.728 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 -3.463 19.969 1.096 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 -1.734 -5.892 -1.434 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 21.204 -2.995 0.719 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 0.655 -10.737 -15.667 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 -3.430 3.494 -3.137 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 6.711 -6.933 8.612 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 -18.063 5.845 12.522 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 -0.171 0.748 -1.411 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 0.518 -15.520 1.903 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 -1.205 0.141 5.408 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 -3.934 -4.828 3.668 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 0.931 -14.521 13.206 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 -0.360 -16.878 20.593 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 2.010 3.522 1.943 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 23.204 7.243 8.575 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 -23.036 0.132 4.092 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 -0.203 4.299 4.874 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 -8.614 -13.472 -15.215 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 10.323 19.503 14.227 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 6.676 3.303 6.184 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 -23.192 11.091 0.953 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 -3.730 19.397 26.241 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 0.871 1.252 2.182 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 2.094 12.567 12.091 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 0.365 7.801 22.907 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 4.704 4.864 -0.509 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 -2.835 17.709 -10.422 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 -0.061 30.723 6.005 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 -1.305 -3.563 0.383 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 -11.634 -3.217 15.836 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 8.852 1.883 9.652 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 -5.174 -0.236 -2.052 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 -2.124 -16.768 -3.276 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 -9.118 20.580 -0.678 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 -2.663 -1.167 9.060 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -19.117 3.481 -10.471 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 19.178 -14.978 -1.037 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 0.416 -7.399 2.707 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 0.733 -6.266 1.890 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 1.367 -8.431 -0.547 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 -6.266 -2.324 0.641 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 -7.458 -14.041 13.583 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 -17.836 -10.416 -13.646 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 -4.114 -2.902 -5.173 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 -8.895 -2.130 0.331 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 -8.572 -2.566 1.314 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 -2.123 0.254 -2.506 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 2.354 2.723 13.242 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 2.847 11.700 -2.090 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 0.689 -1.665 0.055 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 6.050 7.086 4.230 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 11.547 13.249 -2.546 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 -0.213 2.478 6.837 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 -1.694 4.041 6.944 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 -5.211 4.182 4.303 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 -2.909 7.332 -5.886 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 12.697 -8.784 -16.870 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 24.872 3.892 6.876 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 -2.879 -4.435 -5.006 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 -3.518 -12.734 -12.336 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 -16.206 -19.678 -5.470 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 2.174 2.447 -0.745 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 7.637 -2.467 -8.129 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 3.271 -1.558 5.203 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 4.127 8.314 5.659 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 -7.047 3.808 20.485 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 9.521 3.744 3.466 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 2.883 5.778 3.395 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 7.577 -3.458 2.633 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 -2.612 18.609 15.139 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 2.830 -5.477 -1.505 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 -10.307 10.881 -27.857 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 -12.391 19.143 -16.183 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 3.294 -0.310 -0.901 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 -13.857 7.965 0.814 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 -16.546 4.194 -3.102 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 -0.168 -2.361 -5.093 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 -11.520 -30.522 -0.588 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 -11.756 2.521 -40.300 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 1.811 -2.249 -1.226 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 21.451 12.564 20.107 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 -2.249 -5.577 -6.709 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 -5.486 3.311 -1.682 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 -9.501 -21.482 5.316 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 -1.264 4.919 -1.683 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 -2.315 0.271 2.110 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 -14.509 1.790 -12.770 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 -9.872 -0.215 10.497 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 2.870 -4.324 -0.722 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 -12.178 1.734 5.787 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 3.815 -17.297 -12.775 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 4.177 2.118 10.194 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 -5.266 4.644 9.254 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 0.271 -2.228 4.631 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 -1.314 -2.005 -1.885 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 7.354 -0.200 16.323 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 14.101 6.695 8.312 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 -2.992 -1.400 -2.343 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 -11.465 12.922 -6.376 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 7.352 -11.258 1.725 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 1.195 1.701 0.934 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 -4.410 5.461 -2.903 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -3.483 -3.573 2.190 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 -0.155 2.557 -2.656 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 -0.880 2.018 -18.068 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 -2.040 0.982 -3.667 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 -1.368 6.436 4.667 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 1.840 17.102 4.742 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 2.333 -0.993 -4.031 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 2.783 0.137 -4.673 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 22.191 -3.797 -6.819 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 -14.794 -6.956 -14.100 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 -14.416 -7.647 4.569 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 -10.979 -5.984 5.122 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 -6.821 -15.878 1.399 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 3.281 -0.263 -2.926 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 2.614 2.217 -0.949 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 9.936 5.818 -8.961 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 2.968 -3.708 2.947 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 12.083 5.028 -25.335 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 -28.484 -3.719 7.153 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 0.525 3.186 -4.788 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 9.386 0.458 10.122 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 -4.064 3.359 -10.692 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 4.255 -5.822 9.377 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 -1.497 -0.198 21.745 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 16.517 2.614 7.464 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 -1.446 -2.102 -1.132 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 13.381 -12.395 13.269 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 -29.931 -3.801 0.289 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 -6.900 -4.137 4.536 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 19.766 7.223 -8.759 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 -26.861 -9.604 17.300 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 -3.239 4.615 9.675 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 -3.683 -7.617 22.773 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 -4.809 -14.669 -1.440 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 -1.238 1.772 7.748 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 5.564 -0.792 8.246 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 -5.373 14.927 8.654 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 0.863 3.554 4.767 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 12.952 -14.164 51.606 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 8.286 -4.381 26.226 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 2.531 -3.410 -3.082 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 11.295 -9.977 -7.792 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 4.535 -1.585 -6.707 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 -0.323 -3.491 1.693 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 5.385 2.843 6.765 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 -1.691 10.230 7.564 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 -3.091 1.383 2.742 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 9.100 5.039 -3.792 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 25.317 -9.842 -5.489 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 -3.623 -8.805 -7.861 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 -3.974 -3.330 -2.521 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 -11.207 14.151 10.513 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 0.623 -3.179 6.282 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 -8.361 -7.536 8.301 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 5.464 -8.302 7.086 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 0.254 -1.919 -2.482 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 -15.485 34.534 23.641 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -21.018 -28.796 -4.574 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 -0.755 -0.757 -3.220 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 -1.442 -4.200 0.126 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 0.234 5.538 -4.893 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 0.336 -2.315 3.041 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 -1.471 -0.936 11.891 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 0.395 -11.380 0.767 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 5.004 8.496 2.452 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 19.435 -11.838 -0.099 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 15.481 -8.845 -0.326 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 -3.465 -0.111 -5.354 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 -21.472 -0.640 -20.423 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 6.581 -3.700 5.515 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 -1.959 3.603 -4.615 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 -2.269 8.412 -12.807 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 0.078 -4.327 -6.436 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 2.835 2.824 -1.394 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 -9.346 -14.695 10.156 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 -18.830 -17.060 -0.535 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 2.025 -10.046 8.900 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 8.143 -1.798 4.732 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 3.208 -8.423 8.429 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 3.559 0.614 1.637 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 -10.805 7.844 19.827 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 -10.622 10.414 16.980 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 9.215 -9.722 -5.983 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 -7.491 -4.185 0.289 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 30.949 -1.754 -7.946 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 -5.217 -1.501 2.473 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 -15.388 -13.187 9.193 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 28.979 18.571 -13.282 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 0.596 0.247 3.318 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 -1.588 -15.427 23.750 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 -12.530 3.652 -0.136 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 4.005 2.087 -0.647 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 6.690 17.345 1.395 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 -1.836 -0.199 1.417 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 -1.487 2.256 3.269 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 -12.189 5.073 -12.782 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 -14.099 -11.766 17.374 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 1.731 -9.143 -2.202 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 8.165 -6.342 -3.564 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 -34.380 -23.921 -22.432 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 -7.692 -1.591 -4.880 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 0.927 -15.214 -7.988 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 -5.922 5.500 -4.913 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 -2.820 1.945 0.259 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 -5.326 2.691 -23.186 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 -19.977 -6.093 5.447 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 4.424 1.514 6.523 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 -16.457 6.877 3.780 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 11.953 2.022 16.329 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 2.611 2.746 -2.633 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 -13.628 4.386 7.141 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 -11.578 -3.869 5.531 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 -2.326 1.136 0.185 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 3.076 -3.247 -2.497 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 -12.414 -0.815 22.189 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 -2.258 -3.118 1.992 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 -13.050 2.790 -2.702 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 -17.816 2.576 -7.697 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 -0.458 0.541 -3.850 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 5.834 12.213 10.326 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 17.493 -0.687 -16.747 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 3.228 -5.269 -1.560 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 -0.732 -13.561 -13.376 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 8.576 6.935 0.063 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 0.353 0.580 9.544 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 -12.039 -9.974 -16.238 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 22.350 3.486 10.693 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 0.833 0.869 -4.468 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 -4.074 -22.782 12.524 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 0.213 -4.190 -1.554 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 3.764 -1.006 -10.055 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 -12.318 3.183 2.567 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 -13.303 -22.426 -10.640 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 -0.802 -2.982 -2.393 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 1.722 0.697 1.342 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 -17.558 -5.008 -16.175 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 1.543 7.136 -0.646 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 6.447 14.066 -7.144 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 -4.786 -14.747 23.749 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 -2.241 1.419 1.681 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 -6.807 8.777 -0.452 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 -9.067 -7.600 -1.203 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 1.400 -5.612 -1.091 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 4.938 20.599 10.812 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 -8.930 10.279 -3.961 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 -3.037 -1.520 -7.776 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 -3.337 2.367 -0.217 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 -1.382 -2.025 2.165 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 -0.063 -1.272 -2.863 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 2.981 2.203 -5.842 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 2.503 -7.452 -2.495 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 -0.131 2.319 8.191 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 -9.673 12.947 3.628 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 21.385 11.295 3.831 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 -1.755 6.651 -0.121 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 -25.447 -3.743 -13.372 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 1.583 8.184 6.012 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 8.084 4.643 3.015 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 4.930 3.735 -3.596 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 19.485 13.673 6.486 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 0.271 7.143 0.882 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 -9.558 -19.725 -9.481 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 -6.163 -15.220 -3.455 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 -2.566 -4.520 1.714 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 7.348 -23.211 0.021 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 -14.212 -3.041 -7.233 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 1.047 3.068 1.918 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 8.453 6.303 15.347 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 -23.764 0.512 -1.646 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 -3.147 -7.369 -4.996 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 -20.545 4.320 -10.726 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 18.284 6.200 -11.722 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 -1.669 -2.997 -3.711 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 7.246 -8.008 -8.126 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 -10.803 -11.103 -2.820 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 -4.446 -6.393 4.163 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 -2.078 -5.322 -1.939 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 7.768 -2.658 -6.578 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 -2.256 -1.844 -5.355 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 2.974 -9.819 -46.230 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 12.000 14.558 -6.831 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 -7.661 -1.839 3.006 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 4.468 -31.570 16.076 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 12.655 0.048 -23.438 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 -8.063 1.725 2.871 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 -17.418 -8.487 -3.067 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 -3.655 22.136 2.876 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 -0.959 1.030 -4.064 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 26.927 -1.899 6.052 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 18.148 -6.518 9.906 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 -8.951 -2.134 0.658 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 4.247 -0.192 14.225 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 -13.090 14.219 -3.661 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 -0.465 -1.323 3.695 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 0.411 4.786 24.573 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 -6.266 2.637 -1.286 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 5.533 0.980 2.018 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 28.382 1.373 -8.835 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 12.256 -4.703 -6.782 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 1.219 -2.046 1.286 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 -11.641 18.091 -11.908 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 -14.828 1.357 -13.604 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 3.090 -0.111 2.235 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 -2.384 -0.780 2.268 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 -11.395 -0.596 -10.073 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 1.538 -1.481 -0.870 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 -1.572 1.874 -0.234 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 2.013 0.494 -1.761 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 3.609 5.898 5.948 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 -4.832 0.833 3.362 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 12.925 -1.346 11.751 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 -6.754 -0.665 2.101 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 -11.006 -25.099 6.008 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 -7.735 9.237 3.910 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 -2.625 -3.609 -2.299 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 -14.817 -7.815 0.589 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 -12.986 -8.106 1.536 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 3.050 -1.474 -9.994 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 -14.159 -8.549 -7.632 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 -11.365 -20.931 25.118 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 10.037 1.287 -1.833 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 3.922 19.336 26.052 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 8.619 3.150 -10.045 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 -1.039 -0.822 -2.085 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 6.154 -4.536 -8.853 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 6.722 -8.644 -13.391 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 1.614 5.653 -2.519 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 -1.080 -2.939 -0.035 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 -1.657 -16.702 1.090 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 1.760 -4.634 5.183 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 7.366 -8.489 -9.892 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 14.295 16.387 8.231 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 3.958 1.891 1.687 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 10.555 -3.608 7.784 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 -7.015 0.256 4.389 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 1.840 -2.890 -2.304 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 5.553 -4.367 -6.233 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 3.107 1.340 0.495 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 -1.210 -4.743 1.502 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -4.689 -3.030 8.205 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 -20.342 18.586 -10.254 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 -3.196 -2.601 -3.151 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 0.374 21.186 -19.139 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 -4.700 -3.404 -4.113 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 -0.907 1.815 -1.882 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 2.894 -1.394 1.487 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 3.776 -9.659 -1.307 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 -8.259 -3.574 10.732 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 -1.188 -13.894 -10.909 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 -1.928 -0.726 -2.603 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 -4.165 7.193 -5.702 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 -25.568 0.472 -19.301 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 6.443 15.899 3.928 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 0.273 -4.369 -1.217 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 14.061 1.532 -10.610 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 13.914 -3.304 -19.572 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 -2.718 0.794 1.731 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 4.491 8.545 -9.366 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 -0.590 -10.326 -14.063 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 -1.500 -0.981 0.200 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 2.550 -1.806 -11.760 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 5.597 -5.291 -7.873 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 -1.227 6.882 3.389 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 2.795 8.490 8.220 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 -3.122 5.733 0.492 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 2.158 -3.791 0.002 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 -13.574 2.442 25.343 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 37.814 1.484 5.824 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 5.014 4.177 -6.825 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 12.872 12.221 -30.572 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 -11.443 -0.470 -8.575 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 -1.786 6.777 -2.600 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 8.165 6.517 12.956 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 -10.969 1.218 20.867 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 -1.853 0.771 -3.653 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 -19.252 -20.473 -2.120 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 8.756 6.961 -8.385 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 0.861 1.906 1.225 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -2.684 0.395 0.454 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 3.277 2.129 0.861 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 1.026 0.435 -6.326 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 -2.375 -0.547 -5.650 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 20.869 -1.620 -19.088 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 -5.095 0.230 -3.102 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 -11.193 15.173 -8.737 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 -0.019 -7.328 0.587 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 1.783 -0.150 4.453 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 0.542 -25.097 -26.102 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 3.557 27.278 -28.607 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 3.067 -1.453 2.032 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 -9.376 -0.822 8.548 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 2.539 -16.233 11.049 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 -3.329 3.749 -2.616 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 0.060 -7.139 -11.143 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 3.304 -22.677 -15.075 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 -5.857 1.750 -0.330 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 -14.707 12.531 -15.778 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 -9.531 -10.576 23.313 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 -0.955 1.759 0.755 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 -9.639 2.850 4.895 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 5.512 14.229 7.130 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 -4.312 -6.368 -9.379 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 -4.919 -5.223 -11.957 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 -10.259 -0.930 1.563 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 1.403 2.001 -1.353 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 4.251 -1.294 8.837 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 -4.063 7.244 -22.238 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 -3.218 -1.669 2.706 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 5.429 -29.985 -12.337 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 -3.733 2.951 -6.658 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 4.807 2.755 -4.787 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 20.034 8.689 3.282 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 -7.082 1.334 8.568 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 1.300 3.118 -4.907 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 9.939 -4.310 -21.171 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 -17.031 22.500 -10.474 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 4.979 1.213 -0.071 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 9.533 -5.136 -4.077 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 4.045 -5.272 4.617 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 4.517 -2.904 1.858 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 10.870 19.991 -13.175 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 2.027 -1.560 2.893 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 1.189 -0.594 -0.444 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 17.913 -0.640 -7.953 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 -26.103 10.429 -1.775 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 0.076 -5.785 -8.499 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 28.487 -19.406 12.491 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 -3.421 -22.167 -24.687 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 3.119 -2.483 -3.937 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 -0.489 -11.281 -17.085 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 4.373 -4.492 -0.389 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 1.172 0.781 -2.382 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 2.217 -2.149 6.603 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 12.472 1.401 6.091 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 -2.717 0.979 -1.815 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 -29.455 10.896 27.947 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 -6.625 2.049 2.360 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 -1.015 2.221 -4.081 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 -23.496 0.568 -8.322 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 -11.182 -35.908 -0.247 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 4.817 -1.184 4.713 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 3.770 3.637 13.623 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 -13.302 -16.021 -15.222 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 0.427 -0.596 3.978 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 13.928 0.185 17.513 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 -9.868 2.255 3.870 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 3.185 3.769 5.398 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 1.440 -16.302 11.001 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 -11.217 7.725 25.096 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 2.784 4.711 -1.406 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 11.181 -8.359 12.738 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 -5.112 -6.522 -18.598 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 1.620 -4.927 -4.071 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 3.783 -13.075 -0.764 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 7.624 25.238 -17.553 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 3.787 0.033 3.604 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 -11.371 -5.849 5.046 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 17.328 -11.910 7.247 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 4.763 -4.920 -2.872 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 -3.985 -11.837 11.575 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 15.821 -9.873 -1.108 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 -0.396 2.415 3.927 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 9.379 1.284 3.170 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -10.472 29.236 -3.070 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 -4.180 -5.961 -4.533 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 -4.464 -7.928 -4.405 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 -11.064 17.841 0.671 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 3.746 -6.585 2.758 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 2.594 -6.048 1.760 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 2.578 -0.599 6.892 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 -3.848 1.586 0.413 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 15.498 -1.633 -1.989 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 -12.803 4.467 11.761 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 3.529 -0.185 2.403 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 -0.055 -11.848 -3.093 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 3.625 -3.950 -6.483 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 -7.649 1.816 3.313 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 -7.744 23.440 -2.412 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 -25.911 -4.753 -9.696 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 1.079 5.572 2.259 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 -3.125 -2.157 5.139 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 14.316 17.266 -13.891 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 5.355 -0.413 -3.744 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 4.313 0.951 -5.641 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 10.375 0.916 -1.490 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 2.535 -2.011 -4.666 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 -21.926 23.639 -17.536 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 7.727 8.358 -1.994 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 -2.394 -5.044 3.300 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 -12.542 -10.028 -1.868 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 -2.904 41.200 -0.905 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 5.622 -1.172 0.023 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -33.591 -12.355 -10.381 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 4.346 -8.906 15.522 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 3.921 4.050 5.537 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 -2.723 8.663 16.955 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 -3.100 10.088 -4.014 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 -0.264 -2.974 4.824 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 -8.015 3.101 6.372 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 3.332 0.162 -3.436 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 0.158 -1.363 -2.484 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 -12.536 7.076 -11.877 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 -3.603 -17.020 -6.154 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 4.491 -6.261 2.187 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 10.322 19.315 -7.201 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 5.598 -4.677 30.373 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 -0.154 1.245 -5.413 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 -0.046 -3.514 -38.609 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 -4.706 0.304 2.007 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 -8.998 -6.037 5.032 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 -16.051 -16.695 -10.717 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 25.239 5.068 0.411 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 1.677 1.181 6.840 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 12.954 14.467 -23.258 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 -0.603 -14.065 25.381 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 6.205 -3.129 4.143 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 -8.835 0.144 3.775 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 5.928 -7.329 15.439 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 3.884 1.023 7.689 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 -13.322 -21.314 14.425 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 9.824 10.068 5.703 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 -1.497 4.432 2.233 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 5.674 0.807 -1.016 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 -11.282 19.569 18.621 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 -2.454 4.181 -1.776 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 -14.303 2.399 -1.404 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 -9.350 2.390 -1.397 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 -0.123 8.701 5.748 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 8.292 14.055 9.716 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 4.061 0.879 0.012 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 -1.425 -1.828 2.580 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 -39.076 -11.832 -21.860 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 18.268 2.813 -7.892 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 0.312 2.311 2.660 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 -0.025 6.557 -4.840 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 11.295 -19.985 -5.220 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 3.323 6.672 -1.266 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 -12.414 5.689 -35.538 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 -0.955 24.013 15.939 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 2.486 -2.206 0.837 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 2.789 2.662 -3.548 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 -4.779 -3.347 0.609 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 0.313 -1.844 -0.327 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 15.550 8.930 -20.980 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 -6.846 -2.952 1.781 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 -3.225 0.204 10.128 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 6.169 16.964 7.666 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 11.738 -6.424 -16.323 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 -3.433 -8.314 0.851 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 24.364 6.855 -27.691 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 -16.610 -16.747 16.093 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 4.054 -1.315 3.488 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 6.760 3.923 -4.516 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 0.926 -3.715 -3.040 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 -2.682 -5.737 -1.513 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 2.726 -7.973 8.566 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 -8.233 -11.501 4.584 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 2.666 1.468 10.643 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 -6.836 5.582 12.710 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 -11.662 -3.609 19.023 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 -0.645 3.533 2.971 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 2.990 1.354 -0.518 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 0.356 -4.533 0.126 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 0.862 -0.097 4.296 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 -3.715 6.689 26.905 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 1.015 16.254 2.399 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 -1.694 -0.584 1.860 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 6.686 2.126 9.352 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 12.640 7.730 15.590 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 2.056 -0.175 -0.486 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 -6.030 -4.492 -25.803 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 -14.672 -11.844 4.265 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 2.629 -0.871 -0.415 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 -7.231 -1.746 6.683 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 14.038 -4.601 -10.016 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 2.538 -0.702 2.873 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 -3.056 -23.986 10.087 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 -15.923 6.541 23.911 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 -3.182 1.858 -3.283 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 33.475 -14.644 -13.960 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 -19.666 -27.694 11.249 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 0.435 -0.429 2.210 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 -18.293 11.679 10.639 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 -5.573 10.103 10.427 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 4.363 1.640 -1.732 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 6.665 8.514 -10.473 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 -2.969 7.209 1.879 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 -5.790 -5.264 -3.090 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 15.383 -3.964 -14.211 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 -1.717 -0.375 -10.844 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 -4.076 0.897 4.245 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 -3.868 -10.055 -3.738 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 -5.367 7.277 10.338 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 1.709 2.041 -2.540 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 -8.857 11.670 -24.788 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 6.640 -17.491 -10.385 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 -2.582 -2.255 2.174 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 -12.848 21.627 -4.510 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 -17.119 19.201 -12.422 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 -3.139 -4.152 -2.990 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 -16.037 6.587 19.683 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 9.318 -19.813 -5.218 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 -1.890 -3.442 0.991 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 1.264 -10.201 -5.052 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 5.078 -12.515 -9.090 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 1.842 6.913 5.033 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 0.964 0.674 -16.797 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 5.559 3.598 3.405 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 0.551 3.623 -3.938 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 -5.669 -4.096 6.737 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -4.377 8.423 -6.210 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 9.268 -4.562 1.185 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 12.300 -4.242 -22.039 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 3.886 -6.473 -3.858 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 -1.669 2.830 -1.241 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 -2.773 -1.441 -21.939 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 -8.076 0.873 12.741 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 -3.842 -3.082 -4.119 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 -11.708 -9.182 6.836 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 -22.470 15.925 -13.765 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 1.037 -2.655 0.738 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 16.186 23.728 -16.412 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 -7.998 -6.576 -14.089 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 4.640 -8.207 0.547 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 15.017 16.102 -3.896 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -2.791 -11.901 8.064 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 6.217 2.128 9.777 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 -17.969 -17.157 -3.002 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 -14.880 -15.340 -1.639 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 5.102 5.729 0.732 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 4.548 -8.393 -5.006 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 25.071 -11.275 -7.224 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 -3.453 0.651 2.627 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 10.360 7.818 -7.597 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 8.820 9.953 11.346 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 2.636 4.171 4.423 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 3.592 3.345 13.419 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 -5.219 -0.658 -1.038 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 4.426 2.348 5.299 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 0.144 -15.355 -6.448 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 -2.714 20.280 14.540 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 0.171 -5.488 7.428 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 -0.606 -6.098 -8.295 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 6.231 15.119 20.002 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 1.906 -1.142 5.367 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 16.744 1.314 1.726 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 6.229 30.928 -8.502 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 5.761 -0.853 -8.542 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 4.343 -8.621 -14.884 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 -1.733 25.224 0.410 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 2.160 1.115 7.235 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 4.722 -10.521 13.863 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 12.955 -5.090 11.698 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 -0.528 -0.287 -8.152 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 14.240 2.967 -19.385 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 6.436 7.775 3.147 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 -0.010 -5.977 -0.297 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 1.663 0.751 0.154 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 7.290 -11.861 -5.355 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 -2.880 -2.784 -3.361 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 8.834 -6.423 26.804 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 -4.029 -1.407 6.025 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 -4.663 1.418 0.667 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 -11.625 -1.281 -7.833 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 12.727 23.302 -19.163 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 -1.082 -3.178 -1.883 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 1.261 -1.900 -5.522 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 -5.763 -4.511 0.364 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 -4.257 -5.684 3.739 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 -9.613 1.078 19.340 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 -13.567 -10.186 -6.171 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 -1.516 2.235 2.595 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 1.328 -12.457 -6.554 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 -2.254 0.099 5.545 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 2.659 -1.661 -2.712 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 6.490 -17.803 -11.146 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 -4.247 29.639 14.246 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 -5.395 0.877 -5.002 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 -4.375 -5.140 -2.593 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 -2.801 -23.255 -4.055 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 -2.132 -3.407 1.355 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 1.114 -0.769 6.278 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 1.082 2.872 0.565 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 6.413 3.588 0.578 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 -10.876 -8.061 4.039 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 -8.372 -10.781 7.503 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 3.368 -2.955 0.082 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 13.470 1.199 -4.734 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 21.825 4.731 -8.562 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 2.654 0.710 -0.551 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 -9.972 23.546 18.374 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 2.007 -3.594 14.548 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 -4.068 3.642 -2.057 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 -14.655 -22.203 -3.456 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 -8.299 -12.693 12.844 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 -2.655 -2.854 -3.053 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 -4.036 -1.108 -5.716 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 -22.944 4.589 -11.020 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 -7.781 0.863 -3.385 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 -1.692 5.727 3.409 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 12.206 1.467 5.488 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 -1.995 1.674 2.333 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 26.017 -15.191 -1.763 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 10.720 10.679 0.585 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 -1.585 -1.873 6.735 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 -7.800 -11.570 -2.369 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 13.114 35.399 16.792 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 6.766 -3.166 3.526 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 12.939 6.775 -6.718 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 0.904 11.206 -18.308 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 -0.975 -3.985 2.721 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 -10.788 12.248 -14.620 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 -0.781 -9.745 15.124 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 -7.334 -5.570 1.790 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 -3.660 2.693 3.328 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 -19.718 -1.204 -2.044 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 -4.934 5.153 0.100 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 -13.150 -0.007 19.841 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 1.164 4.591 -25.195 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 -4.291 -2.448 -4.115 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 2.639 11.280 1.785 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 -8.324 -9.826 -8.350 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 1.882 -5.322 3.763 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 11.185 -1.889 3.913 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 4.331 -13.568 1.227 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 1.302 1.609 5.508 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 4.589 -5.287 3.095 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 -21.546 -2.934 -4.657 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 0.510 6.362 3.960 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 -0.679 4.881 6.218 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 -22.004 8.426 -18.624 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 -0.460 4.346 -0.694 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 2.168 -1.803 -8.323 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 -12.704 -7.478 2.095 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 -5.469 3.558 5.196 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 -1.711 1.798 -12.628 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 3.564 0.234 -30.697 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 -1.894 -0.674 9.579 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 -6.715 -2.131 -5.080 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 13.925 22.432 17.996 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 4.198 -2.997 4.331 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 0.528 21.814 2.079 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 8.497 12.491 -7.365 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 0.780 -0.923 -3.803 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 12.397 -0.132 -1.574 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 -6.954 2.449 -4.164 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 1.235 -1.674 -4.081 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 14.044 -21.516 6.998 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 9.217 -1.209 9.615 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 1.084 1.600 -3.273 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 -5.144 4.877 2.874 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 3.084 -1.196 -3.445 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 -1.506 -0.142 0.461 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -1.226 -0.762 1.505 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 3.473 -2.328 -5.504 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 0.215 1.801 0.727 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 -27.609 -4.428 13.199 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 21.272 2.962 -22.586 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 -0.602 -0.626 1.148 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 -6.979 5.164 -3.679 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 -4.475 12.846 -11.877 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 0.265 -0.556 3.136 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 2.608 -1.374 -10.468 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 -2.451 0.314 1.879 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 -5.002 -3.569 1.920 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 23.075 6.150 -15.968 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 -15.420 -10.706 7.623 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 -5.063 -5.014 -0.794 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 13.524 -0.242 -16.597 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 3.637 -17.918 19.760 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 -2.085 -3.157 -5.465 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 -2.119 -23.875 -14.591 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 8.900 -5.533 12.257 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 3.794 6.467 2.659 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 18.633 -13.066 -2.205 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 -17.626 -8.632 14.141 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 2.297 0.542 2.641 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 22.963 10.245 28.423 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 21.301 -2.456 4.694 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 -3.191 2.001 -3.828 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 -11.255 0.018 13.373 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 -7.748 7.490 -7.056 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 1.783 0.665 3.440 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 9.090 -8.555 8.845 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 10.763 3.606 4.362 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 -0.010 4.234 -0.394 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 8.476 -7.815 7.869 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 2.845 6.696 -6.345 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 -1.450 -1.276 4.700 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 -14.514 8.344 -2.924 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 -0.490 -5.221 11.472 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 0.376 3.928 4.276 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 24.463 -1.610 -8.513 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 -4.318 -3.351 13.046 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 0.523 -2.838 0.557 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 -0.022 -6.723 17.473 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 -2.149 6.639 -2.208 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 2.778 -1.482 4.317 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 -0.847 -8.660 26.432 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 3.553 -17.732 12.238 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 -0.772 3.294 -1.474 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 1.297 8.825 -2.050 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 4.416 -8.109 27.910 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 2.676 -4.403 -7.472 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 12.872 11.558 0.657 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 22.729 15.921 -18.862 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 5.754 -0.285 6.052 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 -2.660 0.338 7.423 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 0.712 -3.043 3.035 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 1.265 6.962 1.480 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 5.486 8.926 12.481 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 6.162 8.061 -17.727 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 -10.486 3.262 -5.518 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 9.874 22.795 -2.949 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 11.139 20.640 -24.366 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 -3.168 4.461 0.330 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 -2.077 5.064 10.628 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 28.220 -6.766 -1.784 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 -2.378 -2.156 6.197 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 8.698 17.071 24.851 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 -18.726 -13.012 -7.819 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 0.674 2.841 4.295 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 7.843 10.738 5.674 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 -7.101 4.885 9.418 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 -1.082 -2.559 3.448 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 1.230 4.806 12.654 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 7.703 -27.662 -16.764 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 0.329 2.569 0.372 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 4.557 -2.843 -9.838 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 -9.392 -2.355 6.233 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 -9.183 2.103 5.616 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 6.388 12.485 -2.795 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 7.347 14.346 3.843 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 5.342 -0.398 -3.305 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 2.324 16.658 8.024 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 0.579 2.990 -19.682 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 4.037 4.550 0.153 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 20.264 -8.478 11.280 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 6.639 8.704 -0.195 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 -0.775 -4.220 2.460 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 3.565 -9.079 14.106 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 13.533 11.805 10.031 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 -6.561 -4.265 0.023 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 -7.789 7.885 -17.159 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 -2.253 -1.394 -11.255 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 0.183 0.334 3.674 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 -4.147 -4.170 -10.216 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 -7.025 -8.717 -22.654 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 -10.681 -3.280 3.704 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 -26.063 23.892 18.381 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 -7.989 21.150 4.225 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 4.353 -2.456 -1.559 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 -2.943 -0.833 10.014 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 -7.446 0.849 8.626 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 2.206 -0.545 3.297 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 4.423 1.539 5.440 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 -1.436 -1.005 0.786 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 0.887 2.266 5.535 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 -7.769 -11.712 -14.042 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 -4.104 -13.742 -11.555 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 8.741 1.851 -1.532 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 8.719 1.759 -2.473 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 4.301 -1.754 -10.462 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 -0.961 -4.403 2.501 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 -8.335 -1.940 2.453 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 15.110 -9.982 4.544 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 -1.169 5.386 6.628 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 -12.075 12.587 5.474 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 3.128 3.350 18.372 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 -9.856 2.550 5.852 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 -22.818 10.811 0.123 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 -0.093 0.921 -2.102 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 5.501 0.803 0.748 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 10.158 -30.262 -5.207 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 18.857 -9.577 -27.968 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 -4.203 2.455 -3.254 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 -6.726 0.708 -4.544 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 0.623 6.278 1.158 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 -5.995 2.898 4.495 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 -11.104 -1.911 2.934 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 -9.862 12.068 -4.728 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 2.787 -1.026 -0.287 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 18.553 -2.505 -17.364 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 14.213 6.598 20.427 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 0.192 8.364 -0.430 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 22.443 -8.823 6.291 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 -2.306 8.242 -1.186 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 7.144 -7.806 -5.005 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 6.723 -33.772 -11.184 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 20.274 8.407 -20.947 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 -0.078 6.701 -6.692 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 -7.117 -9.637 -31.379 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 -2.467 2.494 -14.139 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 -4.098 -4.821 -7.138 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 10.642 10.216 -15.494 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 -31.608 1.065 5.523 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 3.727 1.245 5.714 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 10.232 -25.673 -3.949 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 4.441 3.475 13.214 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 2.107 3.203 -2.235 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 1.689 -5.913 11.231 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 5.682 -1.621 7.188 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 4.576 -0.178 -2.362 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 -6.014 11.369 21.203 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 9.353 -5.718 5.583 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 -2.029 7.643 -2.100 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 -1.192 -4.408 5.066 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 6.204 -0.437 16.576 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 2.722 3.947 -5.060 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 0.335 9.433 -17.322 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 1.871 0.036 -1.130 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 0.258 -1.543 4.090 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 -4.833 -1.265 10.002 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 0.537 -5.077 9.793 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 -2.750 -1.700 2.781 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 -24.773 0.549 14.520 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 -14.400 6.070 3.249 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 -5.199 0.551 3.235 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 20.457 6.071 11.028 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 -13.898 15.007 -10.979 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 7.310 -4.966 -1.656 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 -2.841 -19.343 -19.465 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 19.137 13.343 1.450 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 -0.461 0.261 -3.488 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -31.075 21.533 -14.727 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 15.969 19.233 -34.514 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 1.344 -1.544 3.072 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 4.467 1.807 -7.274 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 -6.102 3.592 13.046 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 0.484 1.933 0.811 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 8.756 9.000 16.907 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 -15.675 9.070 8.319 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 -4.552 5.620 -2.891 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 -1.945 -10.654 -9.268 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 -10.208 0.882 -10.902 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 -4.746 1.170 6.879 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 13.136 3.779 -15.183 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 -7.318 16.934 20.546 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 4.959 -2.010 -3.740 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 15.644 15.479 3.106 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 1.855 -5.317 1.108 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 -0.012 1.176 10.447 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 -30.749 7.401 30.666 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 19.353 -8.592 -15.002 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 -5.604 6.264 1.148 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 -5.864 11.937 3.855 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 -3.403 -3.103 -4.073 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 -1.222 -3.269 -4.573 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 7.024 -5.079 -3.098 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 -12.405 -3.223 -5.603 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 -1.872 5.840 -3.649 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 -3.379 -3.402 -2.021 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 -7.881 1.525 7.979 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 1.674 -2.301 -2.514 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 3.202 -20.764 -3.283 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 9.943 -14.559 -12.100 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 1.386 1.149 0.236 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 2.188 -4.753 -10.452 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 2.274 14.184 -5.208 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 -0.333 -4.457 -0.692 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 -13.621 21.835 -11.296 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 8.337 9.552 -4.225 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 3.000 -0.916 -1.980 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 12.117 16.798 15.339 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 5.348 4.935 19.827 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 0.839 6.525 0.465 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 -8.679 26.197 -8.237 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 -13.513 6.143 0.162 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 2.733 -2.720 -3.524 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 6.324 -2.318 1.984 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 2.088 7.091 -6.877 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 -1.295 4.449 1.499 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 -3.996 3.182 4.169 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 -5.455 6.117 12.338 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 -3.445 4.698 2.110 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 24.080 16.411 -6.233 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 -12.724 -15.154 -4.476 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 -7.251 0.099 -6.581 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 -4.554 0.424 -0.596 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 4.346 11.037 18.119 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 -2.778 -2.998 -2.411 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 1.577 18.073 -0.793 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 -9.363 -9.503 -4.652 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 -1.925 7.529 1.292 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 3.920 7.070 -9.604 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 -8.842 6.460 8.695 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 -0.086 -1.675 -4.420 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 7.484 -7.334 15.046 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 -25.821 2.979 0.074 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 -1.162 8.212 1.344 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 24.325 19.486 4.862 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 -3.410 5.500 0.317 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 1.275 -0.346 4.945 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 -3.254 4.965 1.720 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 -1.333 -15.658 17.424 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 -4.195 -1.561 -2.177 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 -19.027 -7.430 -1.044 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 2.730 6.277 -7.508 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 -1.837 0.765 0.584 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 0.424 -13.524 7.417 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 -27.080 4.964 10.911 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 -6.675 -3.722 3.128 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 4.746 -9.651 -0.941 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 -17.647 -9.667 -12.630 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 0.636 7.412 -4.708 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 -3.198 18.716 6.300 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 -15.784 22.882 -4.486 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 -4.654 -3.593 -3.948 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 -15.130 8.223 -9.364 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 6.102 10.318 11.719 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 5.764 6.664 0.880 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 32.409 -10.620 15.004 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 8.805 8.679 -3.779 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 0.237 2.468 -1.751 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 -0.945 -4.581 4.894 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 2.957 2.281 -3.747 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 -1.824 -7.688 5.883 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 -4.893 -5.620 -31.378 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 -2.543 4.268 41.225 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 -1.577 -4.607 0.527 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 -3.961 -9.345 1.492 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 0.512 -1.543 -1.396 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 1.784 1.698 6.981 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 -4.322 -2.385 10.234 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 -27.401 3.919 8.038 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 4.496 -0.890 -1.457 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 -2.210 0.640 5.370 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 0.988 11.080 -2.937 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 3.064 6.143 -4.036 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 -0.101 13.603 9.792 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 -8.855 8.612 6.536 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 -1.100 -1.312 5.297 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 -15.150 -3.840 11.115 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 10.977 -1.890 4.855 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 0.385 -2.092 -1.935 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 -2.002 -6.483 1.905 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 5.337 -9.296 -6.425 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 -5.013 7.060 1.897 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 9.913 -0.480 2.601 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 -31.322 -5.193 -35.941 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 0.147 -0.153 2.685 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 5.027 1.248 1.460 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 -13.622 -3.621 0.499 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 -5.044 -0.720 0.242 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 6.492 12.940 13.184 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 -21.846 7.468 11.072 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 -1.319 -1.193 0.618 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 12.239 -8.170 6.799 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 -9.022 12.133 -12.487 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 -0.220 -2.689 1.727 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 7.324 -12.486 -10.352 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 -5.323 14.156 -11.845 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 -1.618 -3.481 4.806 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 8.131 -19.971 8.899 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 3.754 15.523 -1.216 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 -4.281 4.189 4.241 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 -0.541 6.670 0.021 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 6.979 13.657 -16.594 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 3.539 -5.132 -0.135 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 12.833 4.594 6.030 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 6.522 -2.423 1.376 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 1.460 -4.507 8.492 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 2.821 -6.912 8.917 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 0.312 -5.668 10.841 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 5.299 5.660 -2.537 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 21.218 19.247 -1.015 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 -7.241 -5.748 -0.913 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -6.391 -4.407 -1.274 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 -7.373 0.609 1.042 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 -5.439 0.770 2.942 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 1.560 7.038 -3.370 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 -0.483 1.530 1.573 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 0.583 -7.501 -7.316 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 -1.317 0.205 3.204 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 8.187 -11.728 3.008 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 -14.693 14.822 9.121 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 10.761 6.178 3.172 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 -21.083 -1.842 -12.483 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -12.797 -3.175 -13.859 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 2.736 1.302 0.985 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 2.379 -1.013 -7.531 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 0.478 9.224 2.501 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 -0.660 0.666 2.147 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 -1.337 -3.854 -8.008 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 11.363 14.640 23.792 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 6.301 -0.771 7.302 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 -15.714 -4.075 6.937 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 -26.198 -30.135 -3.588 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 -4.616 -0.595 0.360 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 4.761 -9.927 1.876 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 -12.008 9.444 8.344 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 -2.291 4.078 0.022 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 -7.193 11.184 0.550 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 12.374 4.286 5.743 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 1.542 3.235 -3.841 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 -3.149 6.261 -33.476 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 -11.364 -4.380 -10.216 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 5.387 -0.783 -2.172 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 17.169 22.000 -4.414 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 -2.428 0.590 13.079 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 -0.904 -2.565 3.526 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 2.395 -30.857 -5.370 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 -10.235 40.637 11.698 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 -0.168 -4.065 -0.584 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 11.868 1.776 6.858 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 -12.092 0.166 0.906 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 3.058 -0.373 -6.370 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 15.259 9.543 -7.339 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 -3.514 -2.807 -14.171 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 5.732 -10.941 0.032 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 -6.944 -8.584 1.888 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 -1.922 -9.710 0.682 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 -1.165 -5.635 2.795 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 4.805 7.004 -5.770 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 -1.154 -5.752 2.935 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 -1.303 -3.871 0.656 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 -11.630 15.752 8.573 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 2.324 -6.567 11.203 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 0.116 -4.617 4.007 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 1.105 -1.640 1.987 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 -0.272 -3.791 3.661 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 6.389 -3.388 -1.885 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 13.517 23.130 -11.804 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 11.474 1.463 0.129 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 -2.152 2.873 -1.059 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 6.148 7.286 14.238 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 -19.445 4.359 2.430 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 -12.148 -1.551 1.787 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 -28.860 16.539 -35.251 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 0.347 -13.508 28.712 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 -0.437 5.156 -3.439 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 -14.112 5.835 -10.644 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 -3.838 6.237 8.155 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 3.807 0.784 -0.394 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 26.101 -24.621 -6.913 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 -4.094 0.449 -0.691 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 -1.204 -2.724 -0.666 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 17.758 -1.527 16.966 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 1.208 2.896 0.007 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 -0.357 -1.607 -2.737 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 0.502 -1.960 -6.414 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 -4.043 -3.028 -4.523 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 4.469 6.283 -5.518 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -18.431 10.086 -10.691 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 0.176 -4.901 -13.109 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 -1.488 3.149 0.215 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 9.367 7.041 -8.123 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 2.518 -0.538 -7.014 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 -4.468 3.545 0.041 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 5.505 -4.953 -7.208 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 1.975 -4.190 -5.880 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 -4.473 -1.959 -6.666 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 -0.205 -3.335 0.068 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 4.586 -31.891 4.729 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 5.698 0.798 -2.250 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 -1.108 -14.727 -16.037 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 -2.643 2.762 8.194 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 3.036 -0.041 -6.905 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 -7.353 6.373 -14.390 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 9.695 36.761 3.506 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 -7.895 -1.288 -2.855 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 -9.378 0.887 -6.155 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 -8.291 -4.824 -3.132 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 2.474 3.865 2.090 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 4.596 -1.820 2.554 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 1.379 9.473 -1.096 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 -1.931 5.455 -3.541 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 11.376 -11.428 2.529 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 -18.766 11.910 5.006 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 1.782 5.702 -4.997 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 7.833 15.301 -11.524 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 14.315 19.801 -28.672 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 -5.165 -5.000 -1.339 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 -7.034 -1.841 -0.942 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 -9.208 2.830 -2.094 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 -5.163 2.710 0.266 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 -10.823 -16.169 -14.288 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 -24.484 2.219 19.797 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 2.555 -5.418 -4.413 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 -1.836 -19.916 20.445 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 -29.677 7.507 -16.211 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 -0.322 6.054 3.125 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 2.289 0.853 13.971 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 -10.818 13.386 18.107 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 -2.638 -1.999 3.111 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 24.069 29.600 -1.614 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 -11.805 -21.855 -19.314 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 2.984 -5.136 1.217 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 -3.792 -5.834 6.763 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 0.957 -16.772 26.324 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 2.129 -0.690 -1.420 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 19.232 9.474 12.147 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 26.730 -9.326 11.931 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 0.015 -3.783 -2.631 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 0.682 5.379 9.293 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 -0.348 -2.172 -3.874 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 -0.658 -2.912 -8.492 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 -0.337 8.078 34.298 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 -7.346 -4.924 -3.792 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 -1.502 4.907 -4.492 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 -7.353 21.131 17.431 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 17.457 6.711 0.639 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 4.980 -5.182 -3.294 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 -4.051 4.407 -2.453 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 1.886 -15.383 7.888 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 4.766 3.505 -6.505 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 19.179 -0.539 6.048 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 -10.497 -4.031 1.187 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 0.081 2.176 3.675 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 8.663 -16.629 -9.359 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 18.187 15.559 -1.278 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 -0.238 0.144 1.051 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 -8.008 23.806 5.704 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 11.286 -4.408 -7.298 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 -0.786 1.189 2.631 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 -7.897 18.198 -3.568 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 4.012 -4.987 4.495 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 1.374 -4.450 -0.375 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 11.421 2.663 -22.898 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 -22.533 -14.574 5.986 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 -0.476 -1.688 -0.127 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 7.837 -5.251 3.783 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 -8.940 3.072 -7.378 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 3.011 2.544 1.633 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 1.008 3.950 9.647 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 7.387 17.143 15.192 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 -0.298 -5.802 1.740 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 1.524 -12.419 18.875 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 13.979 -11.772 4.822 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 0.903 2.785 2.294 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 13.684 8.510 -2.824 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 13.748 4.398 -6.029 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 -4.393 6.040 -4.085 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 -1.457 3.393 1.417 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 -4.618 5.553 -6.468 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 1.212 -2.047 6.513 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 -5.061 -10.746 -13.598 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 -1.367 -4.524 -3.195 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 4.001 3.087 3.927 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 -23.697 -7.782 -4.264 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 11.064 4.989 -5.449 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 0.231 5.637 -7.945 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 3.273 2.653 -2.974 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 4.158 11.065 -8.179 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 1.219 2.151 1.646 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 1.654 1.575 3.539 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 4.964 -5.040 6.079 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 4.726 -0.032 -2.748 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 -7.293 -8.217 -21.492 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 -0.613 -10.065 -17.228 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 -3.591 6.849 3.389 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 -3.832 10.883 -28.292 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 -1.543 8.360 -7.047 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 6.141 4.008 -1.947 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 5.671 13.768 8.467 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 22.662 -14.027 1.819 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 -2.419 -0.430 -2.071 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 4.639 17.083 -6.510 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 -12.180 2.257 3.982 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 -0.074 0.850 -6.562 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 -5.405 -3.751 -20.542 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 -2.348 -2.498 -15.172 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 2.207 -8.186 5.279 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 2.196 -8.447 5.779 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 4.420 -7.151 8.113 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 -5.212 -0.367 -4.486 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 5.980 2.712 -15.581 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 8.374 0.950 7.656 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 1.054 4.401 3.627 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 12.796 -7.656 7.498 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 15.489 -19.953 5.507 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 -3.204 1.969 1.094 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 13.241 -4.383 -24.158 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 -12.855 3.560 8.902 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 -1.637 -2.463 -7.544 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 19.048 25.456 -24.313 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 -4.682 -3.118 -4.019 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 -7.349 -5.296 -2.892 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 -5.723 -18.174 -3.466 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -4.932 -0.080 -15.998 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 3.660 4.072 5.698 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 8.509 2.006 0.249 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 7.672 1.756 8.017 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 -4.561 -3.495 1.188 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 3.225 -2.355 9.773 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 -9.454 8.329 5.235 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 0.404 -2.125 -4.531 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 15.876 -0.570 -20.823 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 -17.456 -3.350 8.363 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 -4.597 3.723 -6.188 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 -6.937 12.374 16.041 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 -10.175 -9.710 3.113 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 8.228 -2.199 -2.764 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 -0.445 4.997 -21.916 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 11.097 -0.084 -1.974 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 2.971 2.139 -1.187 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 -6.789 3.614 6.029 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 5.513 8.920 -13.368 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 -2.446 0.628 2.514 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 5.955 -2.155 12.973 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 3.948 -6.054 10.920 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 -4.224 -4.447 4.053 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 -10.707 -12.710 -2.769 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 -7.187 1.306 6.478 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 0.340 -4.817 1.784 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 20.985 12.091 1.644 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 27.110 15.917 1.323 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 4.285 0.313 -0.571 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 10.478 3.024 -2.293 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 -17.581 -3.369 27.611 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 -0.893 0.223 1.174 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 -13.687 -0.652 -14.658 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 0.328 -1.005 0.956 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 -4.977 -0.127 -5.064 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 2.135 -5.813 -10.694 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 0.698 8.425 -5.064 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 0.727 -6.565 4.922 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 -1.704 -12.018 17.581 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 9.159 -6.869 43.013 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 1.682 -7.656 1.717 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 1.820 -7.737 -14.300 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 1.775 -7.751 -13.538 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 1.161 -8.079 0.169 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 0.947 8.156 -26.389 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 -2.184 -9.331 4.199 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 2.030 -3.734 1.583 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 -6.546 -12.228 -19.645 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 -6.393 -16.126 -12.047 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 -0.150 -0.543 -0.237 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 8.480 8.022 -10.621 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 -6.763 4.095 -2.056 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 -4.874 -3.661 1.700 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 -0.480 -0.444 2.651 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -13.453 9.599 -0.145 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 0.894 -9.848 2.772 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 -6.219 -7.849 5.260 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 2.137 -10.236 5.062 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 6.662 -4.841 -1.039 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -0.573 -8.218 -10.420 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 14.967 -4.371 11.355 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 2.874 2.256 7.922 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 -5.621 6.961 26.869 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 27.319 1.096 0.943 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 2.306 0.338 1.968 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 -11.738 -7.422 16.820 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 18.783 9.879 -17.597 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 -2.910 3.513 -6.512 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 -9.861 19.608 3.406 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 -0.894 -1.541 -8.887 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 4.206 -0.741 1.604 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -12.567 -17.155 -29.474 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 -11.454 -11.101 7.052 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 -0.237 2.650 3.517 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 -9.178 -1.372 5.743 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 6.333 -1.831 -14.235 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 1.431 5.190 -8.076 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 -0.335 3.845 -7.229 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 10.676 11.553 -10.085 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 -2.629 3.004 1.297 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 -2.195 6.981 10.805 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 -4.695 -2.680 -11.385 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 4.738 0.675 2.523 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 13.381 7.317 3.025 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 0.452 -7.054 9.940 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 1.946 -3.480 2.184 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 -7.897 -5.830 12.375 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 -4.998 0.569 -12.145 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 7.622 -1.765 0.313 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 16.402 -1.969 -2.314 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 18.375 -3.585 6.408 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 -5.529 3.312 2.630 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 18.782 1.712 1.528 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 -26.528 1.073 0.692 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 3.644 -4.200 -2.539 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 -12.395 -2.795 -1.139 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 11.199 0.351 7.598 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 3.240 0.315 1.006 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 -1.104 -2.304 11.755 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 4.767 2.423 2.902 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 0.164 -2.726 0.887 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 14.284 0.857 22.944 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 -2.158 -4.955 -5.180 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 -1.400 4.557 -2.776 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 11.762 -14.046 -13.154 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 -5.347 -8.838 -7.961 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 5.490 -2.131 -2.454 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 2.457 -9.075 -21.369 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 -12.937 -2.482 5.747 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 -3.856 0.379 1.550 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 5.457 13.436 -5.794 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 9.741 19.424 -8.324 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 1.433 -3.427 -7.393 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 8.984 3.189 -7.092 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 3.864 3.037 -12.150 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 0.686 -3.356 0.773 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 2.473 -13.779 -5.132 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 -7.809 0.659 0.043 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 -6.453 -3.663 1.337 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 -12.849 -12.137 10.561 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 -9.322 -26.038 7.577 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 -4.530 -0.471 -1.331 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 -15.620 -4.594 -14.677 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 -1.382 7.855 3.949 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 -1.764 -0.821 6.750 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 2.511 -9.802 24.487 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 -0.759 -2.789 12.713 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 -1.405 -4.983 -0.070 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 -12.017 -5.153 -3.805 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 -1.131 4.404 6.235 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 -1.207 0.709 -0.367 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 20.012 -23.854 15.639 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 -5.323 3.580 -4.412 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 1.875 -8.220 -3.691 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 -1.026 12.242 -5.621 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 11.265 -21.743 -24.092 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 -6.943 5.044 -5.018 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 -5.508 4.504 -14.487 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 -5.164 5.447 -39.213 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 2.244 0.767 7.985 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 6.716 -9.483 -20.505 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 -9.433 10.525 -2.225 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -3.613 -3.367 1.198 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 0.941 2.910 -7.719 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 -13.634 0.916 10.076 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 3.311 -0.095 -0.388 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 5.793 0.385 -0.032 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 -18.191 -9.850 4.948 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 -0.500 -4.334 -2.483 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 1.240 -4.058 -5.980 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 2.138 -9.587 3.871 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 5.754 2.304 0.136 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 23.283 -10.615 24.914 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 0.715 0.296 -5.700 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 -4.645 5.351 0.703 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 -2.604 8.946 -2.100 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 -4.302 2.446 4.741 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 4.242 -2.823 0.841 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 -13.530 -14.310 -39.000 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 8.199 -0.565 14.950 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 0.748 2.732 1.561 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 -15.568 -6.080 12.833 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 -8.114 -2.160 -15.889 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 4.539 -2.312 4.664 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 11.360 0.061 -5.601 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 12.668 -10.633 9.816 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 -0.833 5.055 3.175 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 1.064 5.749 5.229 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 2.996 9.642 9.231 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 -4.239 -5.391 1.017 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 12.889 34.269 5.081 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 -19.256 14.044 -4.092 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 -2.250 0.433 2.777 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 -30.050 4.966 2.821 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 9.129 -22.635 -3.307 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 -1.877 3.816 -1.044 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 8.730 15.050 14.558 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 -17.278 13.879 3.954 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 1.631 -2.281 3.056 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 17.895 8.240 18.673 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 0.169 -8.633 1.405 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 -0.269 1.722 -5.835 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 -11.039 -0.188 1.085 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 -3.634 7.928 -11.753 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 4.274 -6.844 -0.564 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 11.924 -6.904 2.220 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 -7.776 -0.692 6.651 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 8.169 0.580 4.279 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 16.105 1.739 1.676 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 -18.653 2.306 17.255 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 3.886 0.487 -2.070 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 1.913 -6.328 -6.895 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 4.982 16.663 7.462 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 0.272 -7.830 2.564 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 7.325 -13.579 17.700 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 10.217 -8.001 -13.365 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -3.062 1.179 3.056 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 16.436 12.175 8.086 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 -18.424 -7.974 -0.268 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 -1.229 -8.094 4.253 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 10.587 20.471 -17.092 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 -6.576 -8.588 7.755 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 5.912 -2.235 -5.909 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 6.342 7.136 -0.938 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 5.606 8.239 -0.099 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 -0.314 1.251 1.291 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 5.614 -0.998 3.303 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 6.415 -9.504 -1.847 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 7.072 -2.907 -2.084 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 -2.987 15.841 8.139 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 2.811 0.992 11.144 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 0.682 2.249 3.158 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 8.595 0.994 -0.550 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 -0.680 -6.253 7.110 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 2.909 1.261 -1.076 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 2.413 25.294 13.170 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 -31.512 1.738 -6.332 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 6.169 0.311 -0.744 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 -2.396 6.531 5.657 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 -8.610 9.485 -8.056 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 -0.840 8.169 8.323 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -16.182 17.610 14.505 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 -12.161 15.439 16.954 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 -0.844 0.272 1.130 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 2.931 14.099 -6.051 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 8.591 -24.501 9.390 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 -1.469 -4.524 -3.539 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 -2.921 -7.332 -0.157 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 -6.060 -2.651 -4.918 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 -1.826 -2.033 -2.181 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 -1.292 -2.890 -2.549 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 2.563 -9.777 5.100 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 -3.015 -5.448 2.442 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 -4.771 3.631 2.554 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 -4.583 -7.783 11.900 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 -1.032 1.303 8.681 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -6.596 -18.462 13.317 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 -4.740 11.405 -15.013 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 4.136 -4.468 -0.646 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 -13.567 -7.009 17.337 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 14.721 -2.930 -12.240 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 -0.395 0.902 -1.378 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 8.717 5.937 -12.688 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 -3.394 13.631 7.251 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 3.006 -0.789 0.080 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 -5.485 0.100 2.122 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 2.631 0.001 0.612 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 -3.884 -8.000 -3.231 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 -9.119 2.365 -1.368 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 -10.951 -13.845 -10.520 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 4.233 -3.500 -4.676 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 -0.664 -5.326 -4.097 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 10.284 -2.704 -4.028 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 3.294 -11.181 -3.677 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 1.010 -29.430 -6.681 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 -14.813 32.425 28.628 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 -4.150 -2.995 -2.435 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 1.550 -20.488 -28.320 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 -7.555 -4.844 15.474 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 -2.020 -11.159 -0.941 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 -5.849 -0.935 2.125 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 -6.903 -7.187 -1.512 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 -3.150 -1.757 6.307 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 10.708 -8.625 23.147 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 -12.818 15.815 -18.778 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 -0.723 -3.194 -0.327 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 -6.809 0.886 -10.975 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 5.520 -0.965 -11.804 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 -4.381 -0.106 1.321 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 10.139 -15.964 -8.966 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 -10.573 0.350 5.458 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 2.544 -6.343 7.171 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 1.484 4.608 -18.156 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 -0.919 7.079 15.178 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 -0.915 -0.483 5.823 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 -22.177 -3.231 -13.426 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 1.623 -33.306 12.015 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 -3.019 -6.620 1.138 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 7.253 -6.305 -2.535 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 -13.510 -8.911 2.850 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 -0.007 -0.501 -2.481 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 4.749 4.788 -8.397 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 5.924 -5.730 1.786 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 0.512 3.622 0.907 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 8.589 33.009 -9.330 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 1.346 -13.415 13.287 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 -1.050 -0.605 3.021 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 20.616 -4.814 7.688 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 -11.513 4.835 4.110 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 7.002 -3.922 6.073 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 -11.663 -10.320 14.737 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 -9.519 -4.678 27.810 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 3.255 2.470 -1.452 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 9.912 0.180 1.351 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 2.069 -9.005 -1.177 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 6.577 -4.555 -1.411 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 14.380 -4.407 5.587 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 -25.200 38.257 -23.550 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 1.997 7.014 -6.691 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 6.091 -26.892 4.547 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 -5.523 4.706 -4.348 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 1.913 -3.410 4.840 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 -26.440 -15.383 1.036 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 3.916 11.880 -0.646 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 1.709 5.364 -6.730 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 -7.957 27.241 -16.087 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 -4.168 14.580 -13.809 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 0.040 2.456 2.492 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 20.190 12.042 -8.258 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 4.538 -16.373 18.435 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 1.028 -2.725 -3.686 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 -2.352 -21.042 2.960 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 -14.188 -14.264 2.542 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 3.191 1.032 -2.241 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 15.765 -18.584 14.426 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 2.933 -12.661 3.162 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 2.751 -2.826 0.980 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 -2.445 4.910 -7.396 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 -11.400 10.801 5.351 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 -3.623 2.153 -1.260 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 20.558 -10.334 -15.793 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 -5.565 2.869 -1.508 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 -1.184 0.684 -6.504 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 -15.092 -8.830 -4.268 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 12.898 9.771 29.036 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 1.439 -2.460 0.901 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 1.826 11.152 -9.895 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 17.497 -1.992 11.967 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 -1.889 -0.551 -2.349 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 -9.133 2.751 -3.199 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 -13.809 0.020 -3.046 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 2.385 2.991 -0.072 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 14.096 6.069 2.225 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 -8.865 -1.579 -5.465 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 -2.044 4.990 0.169 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 2.260 -1.412 -5.810 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 7.282 -8.458 -15.964 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 -6.051 5.337 0.424 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 5.537 0.081 -4.725 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 -0.940 7.757 6.008 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 0.934 1.838 3.489 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 -0.786 -4.120 21.836 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 4.788 2.218 1.092 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 -0.471 -2.480 -5.875 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 -14.485 2.673 -4.225 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 -10.260 1.277 -7.802 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 1.421 4.494 5.647 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 3.732 6.244 7.486 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 0.912 -15.897 -1.482 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 -4.036 2.175 -0.545 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 -6.729 -58.685 22.167 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 -11.743 25.759 2.109 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 4.415 0.263 2.582 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 -5.985 -8.821 8.746 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 -5.572 3.458 12.566 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -4.599 3.270 0.017 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 3.071 0.254 2.944 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 -4.659 11.692 5.113 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 3.310 -5.324 2.401 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 4.611 0.319 -11.772 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 10.596 1.536 6.590 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 2.103 2.263 -1.299 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 -1.277 -9.110 9.952 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 8.677 -4.094 0.552 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 -2.936 2.999 0.599 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 4.072 -13.562 -13.207 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 -26.925 11.550 -10.834 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 -2.382 8.648 -0.794 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 -6.142 -11.062 9.290 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 -16.087 6.162 12.726 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 -1.048 -2.431 1.340 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 -16.513 -27.197 -12.269 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 -7.561 -10.541 -4.600 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 5.262 5.048 1.593 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 6.564 -4.206 -8.977 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 8.941 22.569 7.480 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 2.652 -2.104 0.170 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 4.233 -1.501 0.120 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 6.917 8.074 5.887 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 5.347 -3.803 0.465 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 0.964 1.912 -0.140 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 -0.258 15.965 2.353 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 -1.791 1.859 -1.857 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 11.997 -11.922 1.444 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 12.680 17.562 -5.297 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 -0.001 5.971 -2.270 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 -28.461 -15.030 26.764 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 -13.341 3.203 22.122 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 5.796 1.489 -1.598 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 -2.559 -20.110 -3.706 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 7.445 3.537 -1.947 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 4.696 0.562 -7.516 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 22.089 10.128 -7.798 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 -7.089 0.124 0.880 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 -0.629 -5.766 4.450 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 3.682 -0.287 15.192 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 16.895 -0.431 9.551 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 -1.634 -1.701 1.015 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 -15.741 -16.327 24.738 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 -26.748 16.230 -13.666 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 -0.501 -2.422 2.324 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 10.622 -15.816 1.959 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 -7.496 -24.730 6.733 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 0.789 -4.589 0.376 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 43.497 -19.850 6.368 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 -9.458 3.254 -27.835 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 0.139 4.818 -4.834 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 -25.384 -10.908 -21.058 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 -12.352 -0.281 0.682 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 1.523 2.058 -11.668 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 7.017 8.216 -27.338 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 2.167 3.458 -21.081 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 3.458 1.944 -2.960 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 3.771 -16.125 -0.427 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 8.076 -21.455 -26.212 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 6.339 -6.231 0.742 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 35.999 -21.683 4.585 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 3.138 -6.754 16.613 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 4.224 0.959 0.987 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 14.640 13.944 -29.751 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 14.293 -41.177 -6.988 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 1.055 -2.544 5.527 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 18.484 -4.738 9.484 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 -17.074 2.989 1.452 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 -4.121 -1.076 8.117 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 -13.722 1.961 16.920 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 -4.530 8.776 0.776 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 -0.416 1.754 3.350 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 -1.637 5.329 -2.272 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 -2.372 -2.334 0.339 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 1.669 6.358 -7.811 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 -8.821 -3.957 3.455 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 3.010 1.462 -16.933 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 3.458 3.008 3.283 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 -27.086 10.052 14.225 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 13.861 13.284 8.947 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 0.771 -5.864 -2.558 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 1.460 -0.173 -1.336 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 4.560 -2.251 -11.550 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 -1.791 -0.745 -1.809 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 -14.265 11.682 34.637 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 -19.679 -15.800 0.153 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 -3.707 -0.139 -0.689 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 -4.752 -5.639 -5.029 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 -2.597 -2.903 -0.389 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 1.386 6.636 -8.284 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 30.634 -0.133 -20.955 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 6.284 6.335 4.774 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 5.156 -0.819 -2.382 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 -4.837 -1.758 1.470 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 5.436 8.835 -7.745 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 -6.128 -3.130 2.560 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 -25.487 3.134 -1.117 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 24.607 -20.350 -13.292 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 -1.365 -6.858 -4.598 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 -11.341 -4.422 -5.662 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 -9.649 0.430 -5.045 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 -3.438 -7.060 3.449 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 19.787 8.146 15.754 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 -5.205 -4.098 5.465 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 1.666 -4.670 3.993 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 6.535 -1.306 -5.246 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 11.756 -0.460 -4.793 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 -7.615 5.410 1.322 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 6.662 -7.023 -4.181 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 6.555 -2.954 -2.010 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 8.182 8.216 -9.331 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 -1.587 15.454 -9.550 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 31.041 -9.466 -10.779 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 -6.066 0.140 0.393 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 -1.580 4.653 -23.984 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 3.344 9.113 8.789 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 6.268 0.997 4.658 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 35.318 -12.134 -4.982 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 -15.753 10.399 25.839 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 -3.048 -0.484 3.850 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 -9.095 -5.926 -7.855 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -1.747 7.287 -5.069 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 1.587 0.933 1.227 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 -18.904 -0.677 20.840 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 18.435 -25.869 -9.289 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 -3.710 -0.719 -1.007 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 12.156 -10.562 6.193 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 1.763 6.078 -10.035 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 3.117 -8.950 -19.052 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 6.427 -3.279 -39.756 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 -8.315 2.020 -10.978 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 1.412 0.263 -3.370 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 -0.926 11.086 -5.348 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 24.415 11.351 15.900 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 1.838 -8.045 -3.471 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 6.773 2.216 -2.675 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 -14.421 -13.590 16.203 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 -2.816 0.555 -4.520 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 -23.840 10.393 2.397 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 -1.211 -21.247 22.226 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 -3.633 4.373 -8.409 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 -22.308 8.792 -26.568 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 4.360 -24.995 1.402 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 5.908 2.905 -4.708 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 8.890 -12.366 1.854 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 -0.326 18.252 -12.480 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 -5.260 -4.187 -3.657 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 32.606 21.349 -9.658 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 -1.378 -3.983 -3.350 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 -2.088 -6.298 1.413 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 -29.502 2.465 15.864 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 -4.751 -28.222 -0.699 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 7.348 -3.379 2.251 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 -8.872 -8.378 -39.444 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 -14.225 -4.205 5.753 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 3.191 3.827 -0.819 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 28.149 5.997 4.200 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 -0.597 -18.920 -7.263 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 -0.652 0.993 -4.306 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 -25.412 -18.954 -3.324 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 -14.076 14.670 -18.151 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 1.140 -2.985 3.427 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 9.857 2.968 5.494 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 9.523 -5.448 23.627 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 0.123 -7.162 3.844 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 0.758 -15.451 -9.590 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 -1.731 0.146 13.743 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 4.108 -3.920 1.819 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 -8.579 -5.203 -4.165 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 -2.670 -10.819 -4.647 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 2.910 5.486 0.045 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 -14.775 21.785 -5.124 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 21.494 22.630 10.801 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 -1.533 5.354 -4.070 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 -1.148 11.383 10.961 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 23.148 10.527 1.070 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 5.795 0.951 -3.727 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 6.729 15.850 -28.121 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 -14.120 -14.072 2.103 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 -1.316 -2.066 -0.110 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 -14.972 -13.475 -0.482 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 16.180 -8.429 2.812 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 4.534 2.964 -4.708 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 -4.593 27.762 5.442 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 1.985 13.854 0.639 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 2.121 -3.021 2.687 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 -14.291 -12.625 28.057 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 23.291 5.134 -10.018 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 2.268 -0.204 -5.319 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 -13.377 -2.620 2.830 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 44.252 5.062 2.495 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 -4.595 1.191 3.951 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 -17.622 -8.226 -9.816 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 -1.391 -7.180 -5.571 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 -5.010 -4.124 3.834 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 -27.055 -30.577 0.267 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 -2.748 11.543 -20.591 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 -0.689 -3.765 -9.266 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 -3.396 -3.139 -9.716 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 7.545 3.597 -13.221 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 -1.034 -7.011 1.481 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 20.563 -8.151 -15.210 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 -3.175 -6.766 3.334 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 6.742 1.445 -4.008 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 -7.811 27.776 -9.551 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 -1.282 -11.178 -19.468 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 -6.540 6.317 3.814 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 -6.736 9.777 3.248 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 -18.114 -14.164 -5.807 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 4.346 5.260 1.404 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 -3.772 7.482 -7.733 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 6.076 16.690 5.855 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 -5.434 -5.169 -5.167 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 -23.689 1.440 -1.266 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 -11.603 4.601 4.031 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 -5.819 -6.094 -0.245 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 18.382 33.830 16.866 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 -11.100 -13.340 -0.045 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 4.883 0.637 1.213 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 -0.538 10.411 7.832 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 -3.743 -18.342 -28.225 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 -11.408 -1.452 1.951 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 17.942 34.862 14.357 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 -7.427 -13.335 -14.773 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 -6.171 -10.430 -4.367 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 -23.994 -25.793 7.642 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 16.183 -8.188 -0.680 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 -0.766 -0.853 1.550 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 -0.651 -3.527 -3.395 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 -5.523 -6.805 -7.307 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 7.231 7.636 -1.196 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 1.900 17.149 7.769 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 16.732 -6.779 -22.889 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 -4.198 2.435 -3.753 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 -13.010 -10.795 -4.329 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 15.759 35.910 -3.626 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 -1.301 3.167 2.950 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 -0.065 2.717 12.930 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 14.844 -13.362 10.204 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 2.333 -0.105 3.218 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 22.753 -19.129 -22.942 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 5.892 -17.485 17.512 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 0.403 -2.271 0.896 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 5.115 10.257 10.549 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 -11.179 4.071 -11.016 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 -1.869 -4.517 -2.393 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 -8.474 -2.719 -3.338 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 2.302 -1.220 -2.252 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 -5.922 2.950 2.494 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 -1.940 3.818 -11.482 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 -15.338 10.236 10.858 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 -0.236 3.900 -9.910 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 7.005 16.537 -26.910 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 17.242 2.368 5.909 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 0.079 -0.406 -6.919 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 -2.991 10.346 5.157 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 8.032 3.812 -8.628 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 5.548 8.531 0.090 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 -18.054 12.986 32.646 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 -7.334 9.128 14.717 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 -5.275 1.374 2.194 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 2.494 -29.085 24.212 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 -3.564 -10.361 7.156 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 3.733 -8.415 -3.900 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 -13.741 4.374 -3.300 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 14.968 -1.770 15.877 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 0.463 -0.459 -5.046 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 1.532 6.254 2.183 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 3.073 -6.728 7.287 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 1.506 -0.500 -5.369 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 12.793 0.913 -16.487 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 0.851 -13.250 8.727 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 3.603 -1.521 -4.512 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 -0.688 16.806 4.691 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 4.724 -4.433 -4.842 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 0.131 -3.133 -1.168 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 -28.767 8.028 -1.220 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 -11.277 -11.442 19.778 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 -6.539 -1.725 -0.303 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 -5.044 -3.363 -2.723 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 -4.948 -8.906 -2.803 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 2.727 0.943 -3.613 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 -11.671 22.623 -7.100 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 6.523 -3.726 -2.939 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 -4.959 1.348 -5.576 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 -17.609 20.892 -7.116 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 1.327 -0.036 18.631 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 -2.511 -1.679 -3.476 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 -4.782 2.641 -8.672 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 -0.386 -8.693 1.217 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 0.487 -0.471 9.297 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 5.948 -0.079 15.191 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 -0.228 -8.246 -9.395 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 -5.104 0.247 3.139 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 -7.220 9.025 -4.430 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 0.786 -0.762 -7.217 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 3.453 -1.845 -3.073 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 -6.708 3.511 -1.685 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 20.521 -0.156 -6.843 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 2.306 -5.662 -2.366 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 2.773 -1.678 5.670 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 -8.336 2.976 -4.165 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 4.602 4.484 0.818 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 11.151 -7.435 19.129 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 0.751 -3.927 2.176 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 1.138 0.823 -2.298 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 8.422 15.659 -2.892 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 0.614 -28.090 0.582 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 -5.001 -2.224 -0.592 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 -11.161 -9.641 11.305 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 10.145 21.262 -7.546 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 1.856 2.242 -0.176 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 0.054 1.167 -2.762 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 -1.214 -8.540 -24.665 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 1.302 1.921 -1.412 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 -11.003 -8.728 -3.336 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 -12.737 -11.908 -7.197 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 -2.430 -1.808 5.587 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 13.702 8.168 -9.010 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 14.413 5.637 -29.657 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 -2.928 -4.951 0.586 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 -5.435 2.832 3.150 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 -11.430 -6.308 -11.683 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 3.091 1.960 -2.210 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 1.526 2.539 4.568 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 -3.569 -11.478 -1.729 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 4.072 -0.306 10.611 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 -7.676 11.433 2.868 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 -2.405 24.236 7.908 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 2.494 6.183 -1.905 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 0.122 6.141 2.672 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 5.093 10.722 -3.411 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 -0.119 -2.595 -3.672 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 19.509 -5.587 0.318 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 -13.499 -26.046 -2.780 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 -0.309 1.115 3.669 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 0.852 17.874 6.377 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 -1.609 -19.112 1.418 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 -2.869 7.391 6.484 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 -1.188 -17.730 -20.036 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 5.092 -3.041 -4.909 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 -2.654 1.748 2.678 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 -9.985 11.461 -28.400 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 10.658 -11.485 18.544 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 6.671 2.366 -8.340 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 16.331 -13.776 -4.971 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 -11.386 7.798 -9.208 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 6.388 -3.604 -3.931 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 0.597 4.050 -4.682 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 11.828 1.176 0.324 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 4.912 -3.713 3.760 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 9.596 -12.612 -2.705 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 0.955 -4.957 7.497 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 -3.998 1.908 2.109 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 7.103 6.848 -0.718 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 -2.500 8.664 0.870 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 -4.497 -1.039 5.643 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 -3.148 6.381 -15.311 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 -23.799 8.240 13.690 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 -5.721 2.490 -2.944 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 -11.123 -21.821 -7.196 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 2.811 3.988 21.039 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 1.327 -1.157 -7.688 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 1.872 6.471 -0.137 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 -1.298 -13.203 -18.443 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 1.906 3.985 0.383 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 -1.881 23.057 2.392 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 1.228 5.180 1.159 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 -4.869 2.068 -6.175 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 -16.863 26.722 -3.778 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 -3.647 -8.527 20.362 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 -6.847 3.282 3.704 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 30.116 12.923 -1.701 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 -26.634 22.322 -12.498 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 -0.183 5.557 -2.854 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 -8.849 -1.834 12.959 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 0.657 21.393 -22.200 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 -0.056 -4.782 -3.538 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 8.312 -2.650 -1.816 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 22.992 -44.619 22.236 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 2.845 5.911 -3.874 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 -8.381 -8.209 -21.749 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 16.750 15.926 -6.321 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 -0.504 0.216 4.876 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 -9.150 9.934 -11.294 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 18.168 2.948 3.303 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 -0.567 0.798 -3.827 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 -10.975 -8.071 2.205 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 0.369 2.660 -5.415 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 -3.490 3.685 7.528 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 -14.639 -14.545 7.536 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 19.360 35.097 -2.270 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 -3.643 2.596 -4.185 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 14.755 10.991 -6.422 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 -12.307 -14.657 14.970 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 -5.736 0.380 4.552 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 -9.962 -6.155 6.699 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 14.027 8.159 14.072 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 -2.418 -5.042 2.945 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 -0.235 -6.043 -4.283 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 -24.798 -8.529 -1.181 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 7.358 0.879 -2.699 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 11.112 6.020 3.919 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 8.934 5.511 -10.332 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 -2.117 -1.113 -0.133 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 -0.761 -0.126 7.566 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 -2.799 9.677 9.673 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 2.264 3.094 10.792 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 -5.691 -22.710 -5.384 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 1.221 9.430 24.933 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 4.450 5.708 -2.193 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 8.027 4.890 -3.522 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 9.654 -5.246 -8.737 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 2.743 3.915 -6.099 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 2.168 14.564 -1.046 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 -28.055 13.944 11.938 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 2.569 -1.253 -0.868 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 -14.877 5.623 -1.184 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 26.477 15.375 -5.117 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 1.760 -0.673 -1.473 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 10.315 1.937 -12.683 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 -8.105 -0.972 -4.289 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 -3.817 1.925 -8.187 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 -7.548 21.569 6.192 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 -17.435 6.413 -27.659 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 2.977 -0.542 0.011 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 -4.633 6.060 9.404 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 15.751 -12.207 -7.180 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 1.260 0.400 -2.758 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 4.017 13.960 13.997 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 -17.212 -9.762 -6.848 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 -4.886 -2.778 0.042 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 4.201 21.074 -5.427 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 -0.855 14.131 26.400 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 -1.279 1.048 -0.273 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 -0.398 2.449 0.132 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 -3.384 0.843 -11.030 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 0.585 3.426 1.756 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 14.075 13.588 2.850 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 1.525 6.814 1.939 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 -2.655 -6.023 -0.978 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 -13.246 -11.993 6.603 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 7.164 -3.646 -4.661 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 -3.090 -2.884 2.149 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 2.560 22.717 -9.806 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 -0.361 15.788 -8.346 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 2.691 1.468 5.693 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 9.344 16.687 -5.756 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 1.067 -7.735 -0.872 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 2.707 0.734 3.166 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 19.103 -3.149 0.509 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 11.715 -4.526 4.166 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 3.032 -2.407 2.323 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 -0.203 22.401 -4.578 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 17.588 16.849 -6.517 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 3.485 3.080 1.317 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 -5.993 15.986 -5.177 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 28.688 7.254 24.644 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 4.761 1.246 1.386 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 0.781 -0.859 6.331 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 -9.794 1.127 -3.791 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 1.579 3.506 0.850 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 1.842 5.794 5.871 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 -3.190 -4.038 9.551 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 -3.211 3.558 7.370 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 -2.783 -0.209 8.147 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 -1.052 -5.607 10.329 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 4.449 -5.010 4.918 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 -4.835 25.482 17.581 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 10.662 -4.023 6.649 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 5.020 7.147 0.482 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 9.025 6.228 -10.785 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 10.165 -6.436 25.011 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 4.292 -2.636 -1.746 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 -8.008 -3.664 -22.298 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 -13.020 -4.655 14.255 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 -3.470 -3.110 3.390 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 -3.192 -19.092 4.151 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 -6.098 33.261 1.649 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 -1.810 3.313 -4.723 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 -1.340 -5.556 -1.367 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 -5.521 3.248 7.490 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 2.577 0.635 -0.205 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 8.956 -0.229 -5.996 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 22.884 -0.994 4.284 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 8.780 -3.640 -0.909 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 7.042 6.567 6.570 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 13.324 19.094 3.504 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 6.024 1.943 3.137 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 -6.736 -3.064 -9.740 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 9.607 4.954 8.394 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 -2.358 1.750 0.080 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 -0.440 -17.469 -8.082 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 8.749 4.356 6.825 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 2.160 4.137 -6.534 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 2.499 -3.376 -2.225 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 12.282 -9.093 -11.578 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 -0.001 3.560 1.053 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 23.361 -5.039 6.819 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 16.582 -0.383 12.282 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 -2.628 4.625 1.149 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 -13.853 -8.854 -15.886 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 -9.198 27.240 -5.330 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 -0.706 3.155 -6.257 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 0.711 7.617 -7.667 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 -2.283 -0.590 -5.133 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 -4.725 -4.680 1.366 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 -11.704 -9.618 6.001 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 4.294 -3.074 5.905 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 1.354 -2.526 -1.135 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 -16.213 -20.135 -7.609 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 -13.817 3.978 -0.444 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 -1.638 0.885 5.142 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 4.465 2.238 5.170 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 -10.815 8.879 -4.016 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 -3.433 2.673 3.798 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 -6.066 -2.132 -4.768 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 -16.893 -5.897 -10.567 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 -2.845 -3.272 -0.337 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 1.030 -6.828 0.090 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 0.990 -5.856 -2.346 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 9.463 2.319 -7.022 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 -6.279 8.145 5.575 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 14.029 -0.351 -12.857 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 -1.132 3.580 -3.825 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 -4.137 29.291 -4.752 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 5.450 -23.226 -0.509 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 4.319 -1.107 -4.307 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 5.857 -7.257 -0.590 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 13.315 -5.728 7.244 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 1.601 1.964 0.298 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 27.371 -9.723 13.773 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 -8.135 -5.062 -8.435 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 4.158 -1.533 2.579 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 13.152 -4.664 16.496 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 6.001 -9.050 -6.196 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 -2.467 5.370 2.165 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 -8.090 -29.972 -44.795 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 14.433 25.729 2.648 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 3.395 7.851 -5.012 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 -9.305 14.381 1.683 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 -9.448 21.705 -4.873 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 0.736 -4.336 -3.500 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 21.254 6.760 -2.784 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 -3.589 -10.723 18.502 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 5.542 1.309 1.998 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 -11.177 -4.883 26.520 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 15.081 18.954 -18.468 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 3.695 -1.085 -4.458 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 -4.176 -27.484 -0.528 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 -3.582 12.286 18.129 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 0.684 10.018 3.496 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 -11.243 2.035 -7.212 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 -12.270 -3.050 -27.505 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 -0.979 3.859 -0.883 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 -18.398 18.368 -1.717 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 -0.001 1.372 -2.237 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 -2.940 -0.025 6.656 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 2.392 16.008 -3.771 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 6.506 2.143 13.091 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 -3.446 2.457 -0.482 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 5.362 -7.460 -0.634 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 -18.559 13.158 -14.298 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 6.033 0.472 -2.081 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 -2.224 -11.666 0.141 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 7.290 1.946 -3.579 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 7.668 0.331 -1.820 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 3.670 -4.384 4.431 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 -8.901 -18.093 -1.276 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 0.887 -5.582 -1.211 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 -5.556 -2.095 -5.027 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 -2.185 -4.930 5.608 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 -2.147 6.490 -9.151 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 -22.391 -0.814 -0.502 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 15.288 49.185 -0.299 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 2.182 1.022 1.842 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 28.442 8.479 -11.370 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 -13.128 -11.422 -28.419 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 -1.597 -3.066 -5.506 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 -2.654 -12.369 13.262 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 5.614 6.906 -7.897 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 -4.849 -6.617 0.842 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 -5.798 -5.516 -0.181 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 -10.398 -1.816 -2.928 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 -6.962 -0.471 -8.010 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 -3.738 7.864 -21.026 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 -1.272 -27.785 -8.323 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 1.622 1.607 4.460 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 9.507 -12.369 -9.492 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 -13.831 4.242 -39.266 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 1.216 -4.968 2.511 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 0.396 -9.130 15.680 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 7.904 0.141 -3.520 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 2.382 -1.067 0.807 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 -9.142 -5.138 -11.978 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -1.768 -10.193 0.112 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 -0.278 -0.870 2.746 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 20.766 3.140 9.441 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 0.176 14.150 -19.686 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 -3.751 -4.162 2.897 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 26.554 -47.793 -30.190 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 16.245 6.351 11.578 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 5.433 0.647 -2.676 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 -6.020 24.697 -1.765 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 -4.750 23.159 -2.411 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 1.841 3.549 3.841 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 4.882 -4.520 16.816 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 -8.098 4.072 0.883 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 -8.742 -4.247 -3.792 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 -3.955 6.654 0.473 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 1.627 2.223 -15.690 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 -5.869 0.147 0.031 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 -8.809 -9.535 4.982 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 4.466 -10.758 -3.376 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 7.589 -1.235 2.600 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 -6.248 -14.418 -3.114 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 7.596 -0.523 2.297 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 -3.313 -4.353 3.244 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 6.837 -12.623 -19.772 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 2.075 -23.151 12.014 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 -6.618 2.766 5.229 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 -9.211 6.609 -10.350 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 3.578 -8.679 -1.932 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 -7.676 -1.860 1.859 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 -35.622 -5.921 4.471 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 -3.952 5.973 -16.005 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 -1.962 -0.533 1.279 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 10.948 4.863 -4.193 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 -11.526 -9.284 5.227 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 -5.800 -0.584 -0.869 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 -6.665 5.319 -4.664 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 -2.941 -19.026 16.408 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 1.030 2.556 6.576 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 -4.992 -1.374 10.205 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 9.673 7.731 5.397 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 0.384 0.979 0.877 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 13.262 2.796 10.554 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 11.655 -1.249 -19.131 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 -3.180 -0.955 6.714 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 1.521 -0.067 5.400 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 -5.626 0.467 1.128 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 -4.991 -0.119 5.304 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 7.207 -7.861 5.803 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 -10.023 -8.338 7.982 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 3.013 3.315 2.400 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 -2.583 -6.599 6.298 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 8.882 35.573 -3.879 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 3.026 -5.017 -1.018 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 1.471 -15.414 7.836 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 14.052 -11.254 -9.181 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 0.563 -5.170 1.906 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 -4.820 13.157 -8.576 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 -5.692 16.350 -10.191 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 2.637 0.674 -5.693 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 4.936 -2.465 -1.322 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 25.661 -9.040 14.963 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 4.175 1.988 -3.181 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 21.039 -35.670 13.644 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 2.819 1.014 -0.517 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 4.194 -6.726 1.522 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 -3.792 -1.746 21.291 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 3.519 -6.475 2.585 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 -1.706 0.318 -0.166 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 18.864 -3.725 -9.205 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 -21.792 6.916 7.542 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 -0.364 8.534 -0.288 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 -12.564 -10.999 -23.065 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 -10.699 -8.514 -24.037 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 -2.528 -1.638 -1.643 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 -10.000 11.896 11.860 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 0.141 -2.680 2.601 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 1.590 1.167 -3.227 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 13.176 2.601 -4.599 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 -1.281 5.702 13.268 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 0.316 -5.081 3.020 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 6.133 -15.529 -34.824 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 -22.350 27.631 1.089 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 -2.812 -1.666 -5.866 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 7.345 -2.907 -3.819 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 -3.966 -6.779 -8.465 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 -3.427 7.399 0.434 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 -0.603 26.603 4.512 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 -6.074 6.350 0.926 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 6.137 0.111 0.009 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 6.967 -0.346 -4.947 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 0.559 -3.561 3.035 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 -2.665 -0.524 7.079 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 16.780 24.269 6.893 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 18.548 35.981 5.468 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 1.854 3.255 2.798 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 -15.634 20.780 22.876 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 -18.195 -9.602 -29.028 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 2.558 -7.447 4.657 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 7.153 2.272 1.076 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 -6.341 -34.609 16.137 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 -2.921 4.755 0.061 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 -6.641 13.829 3.792 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 1.979 7.638 -5.742 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 3.479 -2.409 -1.773 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 6.024 -21.623 -6.150 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 17.220 3.997 12.000 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 -1.495 2.993 -3.710 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 1.301 14.662 -2.555 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 -0.381 -9.236 13.022 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 7.823 1.855 1.946 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 9.826 3.525 2.989 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 -3.845 -9.787 0.074 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 -1.763 8.969 -3.145 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 0.635 9.178 -10.602 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 3.844 0.661 -0.588 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 2.360 0.012 -8.224 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 7.865 -2.344 -5.123 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 -8.252 -6.061 2.351 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 -3.953 -3.161 5.163 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 5.288 -8.592 11.495 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 -11.302 -6.250 -24.437 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 1.277 -0.895 3.181 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 5.699 8.768 -1.234 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 13.124 13.123 -6.320 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 4.011 -3.921 5.440 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 18.332 -1.416 -8.706 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 9.930 -2.842 6.086 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 -0.511 1.129 2.211 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 -12.611 -5.019 11.285 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 -5.816 7.083 1.586 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 -7.529 2.005 -6.035 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 -7.695 -1.493 -14.500 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 -13.012 4.809 -17.552 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 0.182 6.035 -0.330 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 0.867 -13.315 2.331 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 -9.651 2.786 -10.725 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 -0.781 1.723 -2.474 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 3.958 5.258 -4.648 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 -1.014 4.479 7.540 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 4.114 1.286 5.829 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 12.222 0.769 -8.394 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 -9.628 6.982 6.865 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 -2.158 0.234 3.520 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 -4.832 3.506 -4.213 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 4.061 -2.508 0.663 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 -1.569 -2.218 5.603 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 -3.905 -6.760 6.560 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 -7.057 -2.212 6.001 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 3.261 -6.843 2.602 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 24.381 23.706 -0.925 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 2.534 -4.376 -10.674 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 -0.389 3.267 -6.763 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 17.710 -3.731 -11.048 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 -1.412 -12.308 0.710 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 -6.027 -2.327 3.647 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 -3.282 -19.475 -8.220 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 -1.781 -10.070 -3.658 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 0.587 1.738 -4.592 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 -4.773 -0.757 -19.106 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 -9.375 7.931 -21.877 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 -4.629 -6.000 -2.124 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 8.499 11.009 -10.365 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 2.651 4.454 -2.212 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 5.512 1.600 -0.304 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 -3.179 2.035 26.213 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 1.537 1.956 12.199 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 -0.368 0.455 -1.306 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 -4.814 3.040 -8.516 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 -2.151 1.945 -4.174 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 -1.743 -6.772 0.985 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 -14.645 10.152 -10.595 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 11.472 -17.771 -16.219 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 -0.668 2.576 3.088 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 0.519 -5.368 4.142 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 11.395 6.951 8.269 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 -2.648 6.741 6.776 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 -17.602 14.363 21.879 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 1.029 14.909 -10.258 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 -1.294 -0.215 -4.708 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 4.117 2.556 7.109 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 1.497 -1.863 -11.828 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 -4.121 -4.478 -4.911 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 1.752 -12.538 -10.652 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 -9.915 0.998 -8.948 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 -1.223 -0.154 -1.475 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 -3.618 -5.144 -17.312 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 8.382 -19.210 11.128 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 4.653 0.796 -2.543 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 10.683 -4.059 10.814 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 -7.510 9.664 -7.504 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 2.227 1.786 -3.241 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 -15.141 27.378 -12.329 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 1.475 -2.863 3.920 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 3.952 -2.044 7.180 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 -7.251 13.603 14.795 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 24.960 -7.326 -4.030 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 -2.098 2.778 0.132 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 -8.515 6.393 -9.156 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 7.124 -22.839 -19.650 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 3.871 -2.922 3.223 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 10.280 13.659 1.145 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 2.041 16.592 0.263 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 0.653 -7.239 10.312 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 -7.223 -21.128 4.927 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 19.087 17.314 23.134 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 -5.101 -3.424 3.416 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 -10.398 0.740 6.006 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 -2.573 -32.464 14.076 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 2.385 6.540 -2.967 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 -14.424 0.313 7.280 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 11.280 -3.532 3.276 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 4.832 -4.767 6.137 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 9.639 -4.002 -2.460 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 17.837 8.460 -18.431 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 1.843 0.586 -2.821 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 1.751 5.008 -3.008 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 26.232 -5.736 -14.193 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 -1.197 0.462 1.525 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 8.273 15.979 -27.769 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 11.774 -16.084 11.246 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 -8.906 6.164 -4.168 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 15.674 5.393 12.559 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 12.148 5.847 7.985 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 0.026 -5.347 -5.994 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 -1.971 0.086 3.269 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 15.641 10.302 -11.106 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 -5.177 -1.428 -0.318 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 -7.966 -20.948 -18.993 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 -0.837 9.675 0.203 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 -3.852 4.523 2.172 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 12.106 20.185 29.147 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 24.347 -7.389 3.180 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 -1.065 1.386 1.960 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 -4.928 0.619 -6.333 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 6.724 6.603 17.969 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 6.557 2.268 0.124 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 22.554 20.618 14.697 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 24.612 22.972 16.317 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 -2.418 -1.352 2.499 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 -2.377 -0.879 3.178 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 0.296 0.000 0.808 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 -1.376 7.110 1.736 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 2.832 11.508 -14.876 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 -19.932 -18.168 13.037 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 7.539 3.237 -3.219 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 7.068 3.323 -8.992 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 6.500 3.222 -12.853 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 2.840 -2.974 3.735 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 5.624 -2.259 6.364 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 -9.322 5.571 -6.523 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 2.433 3.602 -4.465 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 -13.118 19.383 8.478 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 11.631 -9.301 8.504 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 -2.195 -5.647 0.193 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 4.998 -1.986 -0.636 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 -5.269 5.543 9.737 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 -3.743 -12.902 4.004 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 -3.394 -33.605 -9.548 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 1.403 -1.571 5.731 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 0.674 6.369 1.935 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 -16.764 -3.524 -5.285 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 5.088 8.308 0.146 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 5.857 -4.030 2.042 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 5.891 1.917 3.546 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 12.299 -13.057 -2.549 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 6.239 1.100 -1.208 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 -6.245 -9.365 -0.181 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 16.301 2.521 -1.160 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 2.565 1.720 -2.667 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 8.704 -2.141 0.910 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 3.352 22.198 -19.826 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 -1.755 -5.265 4.078 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 11.851 -7.142 -12.790 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 -0.651 -5.262 11.542 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 1.371 10.075 -0.795 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 0.743 1.865 -17.569 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 1.621 11.631 3.619 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 6.092 2.416 -2.412 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 1.943 -11.159 -2.923 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 8.992 34.447 -5.152 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 -0.740 -3.379 3.962 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 6.113 16.046 1.319 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 -16.983 -9.352 1.859 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 -4.245 0.361 -7.630 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 28.287 -7.557 -16.694 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 -15.340 2.877 -1.200 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 1.191 1.727 0.833 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 4.069 -2.900 6.496 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 -5.431 -3.634 -7.076 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 0.962 -3.419 -7.855 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 1.723 0.375 9.071 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 10.635 5.378 15.876 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 -9.073 -1.324 -4.574 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 7.036 -3.423 -3.872 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 -5.808 -0.463 -23.155 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 3.986 -2.988 0.691 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 -3.081 2.436 -3.783 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 11.097 6.350 5.464 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 0.546 -2.186 5.515 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 2.755 -3.106 -6.669 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 1.921 -2.946 4.728 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 2.116 -0.423 -5.458 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 1.811 0.651 -4.335 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 0.201 -27.726 -0.899 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 1.400 2.836 -4.266 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 -33.295 4.929 -14.734 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 20.037 -5.380 11.016 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 1.363 -1.055 -2.871 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 -14.520 -17.469 14.254 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 -2.514 -6.329 -4.219 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 -4.137 -5.930 1.973 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 -9.862 -0.753 -4.157 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 10.490 -13.695 6.783 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 7.773 -1.895 4.521 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 0.292 22.824 11.888 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 -3.447 41.713 -21.587 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 1.479 -4.152 1.623 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 -0.085 -10.946 8.866 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 20.644 -6.189 0.961 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 -3.442 1.033 -1.730 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 -7.471 8.068 -1.886 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 13.855 15.461 9.689 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 2.572 1.145 0.241 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 7.388 1.094 0.122 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 6.082 3.788 -5.538 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 0.099 -4.872 7.459 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 -3.741 -6.156 5.120 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 -0.870 1.038 5.336 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 -1.701 -5.062 -0.104 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 -3.930 -7.293 11.277 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 -1.380 -5.779 3.114 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 -6.169 -2.982 -0.824 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 -22.119 7.703 3.692 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -5.431 -6.042 -6.438 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 3.726 3.790 -5.608 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 3.637 8.335 -27.492 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 3.229 12.010 2.953 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 0.590 -4.088 -6.350 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 9.300 -4.654 -14.059 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 -2.989 -14.992 5.179 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 2.800 1.732 -2.214 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 -7.875 2.357 0.022 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 -0.869 1.275 -1.551 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 -0.856 3.177 4.056 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 2.309 4.485 1.573 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 -2.822 4.321 7.872 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 -6.593 -6.800 4.796 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 -38.937 18.578 17.029 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 3.584 -20.892 -9.002 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 5.535 -3.312 -3.534 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 13.613 -7.895 -0.063 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 6.161 -5.818 -3.048 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 2.929 -1.641 2.365 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 -5.027 -12.032 4.480 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 12.426 -1.781 -2.461 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 -6.638 -6.206 3.543 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 5.052 -8.851 -10.836 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 0.289 -21.100 -8.725 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 5.642 0.420 -4.781 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 31.970 4.252 -31.923 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 5.883 -6.934 -4.290 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 -3.113 0.859 0.476 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 0.364 -13.199 -11.250 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 -15.106 5.306 -13.122 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 0.725 -5.009 5.589 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 -15.412 -1.534 3.963 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 -2.255 6.814 23.935 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 -4.845 5.155 -4.141 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -0.357 12.786 1.124 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 13.585 -34.506 2.755 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 1.586 -1.350 0.635 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 -1.702 4.556 9.600 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 -0.493 1.906 1.978 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 -0.164 1.823 -2.347 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 -9.667 6.276 -2.976 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 4.706 7.105 2.581 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 0.397 3.645 8.078 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 2.685 13.880 4.421 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 0.773 13.246 -9.261 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 3.133 -0.477 3.941 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 9.974 2.519 6.286 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 -16.777 13.674 -10.557 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 -2.948 -0.854 1.039 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 -2.238 -19.522 -3.297 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 2.663 -1.601 19.309 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 -6.757 0.434 0.406 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 -8.349 -12.321 1.865 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 -4.090 -1.139 12.871 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 -3.914 2.203 -3.499 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 -11.358 -7.598 2.000 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 -4.052 -0.720 -1.610 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 0.076 2.603 5.288 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 -3.867 5.142 10.158 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 25.259 12.339 -4.860 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 0.252 -0.598 1.835 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 -0.784 0.386 0.010 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 1.420 -0.454 1.887 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 -1.325 -3.802 -6.588 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 -16.033 -9.676 -4.222 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 -10.547 -11.834 26.957 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 -0.249 7.689 6.025 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 -3.281 0.333 4.253 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 -2.483 -8.216 0.656 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 1.756 2.477 -2.090 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 -16.704 -2.657 -31.735 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 1.692 -25.144 19.496 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 3.254 -6.104 -1.606 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 9.307 -1.591 -14.139 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 15.898 -18.107 1.768 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 1.692 3.470 5.418 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 3.499 2.645 -16.737 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 1.028 -10.774 5.225 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 0.577 0.118 -0.715 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 5.762 15.592 -8.258 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 14.104 13.601 13.928 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 -2.870 -1.517 -2.298 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 -7.858 -2.628 -6.073 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 0.136 -0.584 0.386 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 -4.559 -7.112 5.165 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 -19.974 -10.162 -15.663 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 3.651 4.803 20.266 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 3.786 1.580 -0.956 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 2.941 10.022 -0.645 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 16.031 -5.753 5.618 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 -4.508 -3.824 1.351 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 -8.719 25.463 9.424 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 -20.411 -2.220 -25.402 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 -3.509 0.790 -0.013 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 4.828 3.576 -12.486 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 -0.840 7.761 -2.752 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 -4.838 1.904 -1.374 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 -12.710 5.606 -6.095 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 -5.117 19.806 22.430 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 7.873 3.892 -1.134 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 22.011 16.472 -2.510 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 -24.313 -4.247 -11.423 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 -0.065 -1.699 -4.911 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 -0.435 -10.901 7.579 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 0.193 -4.285 11.284 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 -3.333 -4.009 8.007 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 -20.028 6.800 -1.312 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 2.907 12.685 2.456 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 3.045 1.468 0.659 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 5.290 -12.408 -2.128 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 3.515 -12.906 -2.707 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 0.553 0.671 -4.069 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 -3.168 -31.306 -16.177 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 2.983 -11.601 2.601 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 0.767 -0.269 -3.567 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 -6.696 6.801 10.091 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 -0.922 -5.221 -1.539 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 4.457 7.758 1.326 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 16.118 18.097 -8.829 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 10.740 -20.172 -18.165 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 1.979 -1.901 -7.919 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 8.881 -1.105 -3.202 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 19.360 -7.104 17.311 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 1.648 6.959 -0.169 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 -0.539 7.519 12.667 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 24.480 -3.755 -0.217 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 -2.384 -2.162 2.911 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 7.347 4.636 -2.387 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 -1.680 0.579 8.882 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 1.677 17.048 -7.450 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 -10.757 8.467 2.285 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 16.901 2.836 -6.162 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 -1.895 4.140 -6.394 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 10.190 19.961 -3.930 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 -3.824 -2.220 10.004 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 5.164 -1.124 -0.997 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 2.498 -12.738 1.996 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 14.316 -21.600 -6.309 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 4.105 2.920 -1.154 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 -0.833 4.165 -13.720 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 15.255 -6.167 1.566 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 2.934 -1.830 0.815 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 18.186 11.125 -0.208 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 -2.035 -23.109 -0.149 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 -4.838 -2.655 2.046 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 -2.902 8.566 11.949 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 -3.504 -22.112 -18.193 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 -1.367 -2.270 -6.695 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 13.623 -20.186 12.850 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 24.778 1.942 -19.173 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 1.471 -0.840 4.122 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 -15.008 18.313 -0.571 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 12.641 -2.005 -16.899 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 2.646 5.211 -2.868 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 -12.607 22.447 -13.860 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 11.141 -40.614 3.689 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 -3.488 -9.795 2.329 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 -4.790 -17.495 5.551 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 5.855 -1.854 -10.055 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 -3.523 1.033 2.788 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 60.052 -7.617 -12.163 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 5.468 9.572 34.953 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 3.510 -0.735 -2.439 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 12.058 -5.123 8.667 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 9.852 -17.963 -0.851 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 -4.427 3.635 1.342 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 -2.878 -17.268 1.010 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 -1.751 7.202 0.006 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 -0.577 1.263 -0.037 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 17.274 7.273 4.523 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 -12.557 10.499 -8.033 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 2.128 -4.445 -2.500 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 -13.172 -6.750 13.290 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 11.055 -15.609 -12.216 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 4.380 6.724 -2.245 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 -4.910 4.412 -10.626 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 9.570 0.906 -19.597 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 5.777 -1.381 3.104 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 13.656 0.303 -9.184 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 10.034 -1.913 -3.065 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 -5.460 -0.550 0.331 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 -2.111 15.028 4.486 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 -4.940 1.239 0.982 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 3.686 0.249 1.794 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 -12.131 18.483 8.818 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 17.302 10.989 -7.159 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 4.406 4.061 3.551 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 -5.007 -11.559 20.608 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 -9.125 22.439 4.208 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 1.949 3.451 -2.271 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 -3.995 -0.535 5.690 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 3.138 -4.437 -10.155 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 -5.844 -0.555 -3.103 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 6.566 8.222 -23.980 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 1.075 8.798 1.439 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 -0.107 -3.298 -0.093 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 -2.427 -2.950 -2.975 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 -7.137 -0.325 -0.802 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 3.943 -3.048 -0.927 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 5.166 -6.772 -2.103 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 -29.541 -0.266 -9.433 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 1.919 -2.675 -3.647 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 8.766 6.583 8.268 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 -2.349 -9.842 -14.911 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -3.459 -1.876 -6.202 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 7.357 9.486 6.027 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 -15.058 21.824 2.928 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 6.885 -3.226 0.508 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 9.674 -1.865 5.619 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 12.678 -7.076 -2.148 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 2.250 5.425 -7.099 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 -13.671 -6.538 -13.064 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 12.219 1.034 17.306 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 -1.015 -3.622 1.686 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 -8.184 -15.026 -19.034 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 17.110 2.894 -6.459 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 2.549 -1.607 3.254 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 -9.106 22.377 -9.746 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 20.703 0.561 13.503 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 3.686 3.322 -6.647 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 17.717 3.073 -11.107 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 3.677 -8.030 10.650 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 3.628 -0.999 3.542 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 19.688 12.134 19.552 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 -8.923 12.951 -9.053 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 -3.632 -6.724 -2.015 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 -10.470 18.717 7.309 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 7.892 -3.388 -30.008 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 -0.561 -5.217 2.088 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 -10.618 -24.501 -26.709 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 -7.203 25.437 -19.108 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 -1.225 -5.805 -5.005 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 -14.409 11.790 -0.707 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 -15.181 -21.368 4.193 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 -3.074 2.612 -1.578 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 -11.385 -3.254 -23.829 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 8.105 9.895 31.148 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 3.408 2.138 -2.132 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 -0.198 -3.799 -1.542 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 5.423 0.319 -24.282 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 3.476 -0.341 0.941 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 3.890 1.378 -4.334 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 0.665 -3.402 2.026 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 1.609 9.192 -5.472 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 3.387 17.821 4.590 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 -12.139 13.434 -8.318 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 3.634 0.820 0.933 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 14.191 -5.855 9.791 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 -16.230 -0.274 -0.881 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 -6.110 2.994 7.004 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 8.939 -4.132 18.271 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 -12.847 8.613 -1.311 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 4.299 4.740 1.799 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 4.969 -8.815 -5.498 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 -7.024 21.851 7.927 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 1.756 -3.735 1.198 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 1.108 7.542 5.766 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 9.288 -5.957 3.846 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 -5.239 -4.376 0.918 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 -2.252 -8.092 2.680 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 -20.437 10.546 -8.484 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 -0.063 0.588 -6.194 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 19.556 -0.692 4.515 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 14.064 1.186 -7.297 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 5.752 3.642 -0.233 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 -2.189 5.326 -2.306 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 9.312 8.059 -7.724 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 -0.206 -4.710 3.591 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 -1.095 -7.369 7.250 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 -3.025 -7.002 2.071 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 -3.235 2.186 3.143 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 -1.554 -2.575 9.905 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 -18.186 27.003 -20.852 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 3.162 -0.076 -1.464 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 3.927 6.035 -2.453 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 -15.140 10.934 6.729 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 -3.213 -0.062 -4.772 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 1.292 -7.690 -10.900 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 -1.024 -10.483 -22.482 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 7.546 2.435 -3.345 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 16.938 2.223 -8.552 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 -5.974 -2.937 -0.028 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 0.333 2.671 1.486 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 -6.375 -6.181 -0.081 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 -2.320 -6.829 11.809 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 3.155 -1.628 -5.209 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 10.034 10.754 -6.316 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 7.410 5.709 -5.361 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 2.384 2.180 -1.100 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 -0.517 11.289 -8.344 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 -3.295 -2.304 -13.937 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 -0.918 2.313 1.977 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 -7.666 15.147 6.487 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 16.975 8.304 3.250 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 2.479 -2.932 -4.379 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 22.324 -6.287 3.931 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 13.656 -11.496 -0.287 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 4.102 1.380 -0.124 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 3.720 0.363 -11.271 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 -5.927 10.006 0.674 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 -0.865 -2.451 5.700 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 1.654 -3.592 2.247 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 -23.544 2.701 25.323 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 -3.184 0.602 3.292 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 -1.719 1.083 6.437 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 -1.381 -1.225 1.271 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 -7.224 -1.008 1.556 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 15.955 -21.493 -8.732 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 -22.658 -11.588 7.081 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 -1.776 -1.809 -1.744 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 -8.226 6.387 -13.944 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 12.368 -7.418 -11.705 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 2.372 10.285 1.634 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 12.155 15.008 5.943 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 -6.169 -13.554 0.041 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 -4.285 -2.397 5.215 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 -3.331 -0.249 -0.607 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 11.708 -1.857 -8.152 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 -2.359 2.891 -4.208 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 -0.141 9.877 9.780 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 -32.670 10.672 1.698 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 -2.387 9.844 -1.879 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 -9.696 1.819 2.896 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 4.069 22.632 2.755 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 -2.304 1.292 1.456 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 26.969 2.324 13.311 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 -27.703 -8.542 8.451 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 1.053 -0.899 0.729 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 14.170 -3.072 -30.145 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 -1.946 11.732 16.797 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 -0.432 -0.806 3.434 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 -7.197 37.126 -2.681 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 9.841 -30.438 -0.353 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 -3.012 -0.871 4.482 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 8.163 1.108 33.807 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 -6.423 -18.003 16.431 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 4.599 -6.070 -7.510 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 -8.695 -1.918 7.263 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 3.269 -4.158 -5.332 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 -2.706 -1.529 -5.460 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 2.443 -25.540 -6.038 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 -1.553 15.822 10.642 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 -2.217 -0.359 3.797 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 8.509 13.838 30.024 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 19.746 -9.542 13.730 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 0.889 -0.942 2.713 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 18.537 -13.321 5.369 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 -14.082 9.532 -1.287 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 5.530 3.140 -8.324 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 18.726 -3.520 -4.765 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 8.566 14.160 -19.545 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 1.270 2.433 0.924 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 11.958 -7.540 -18.136 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 -3.576 0.215 -15.714 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 0.332 0.003 -2.567 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 11.422 -14.854 -17.253 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 -11.178 3.182 2.035 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 -3.424 2.746 -2.460 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 -4.304 6.277 -6.369 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 1.036 -0.437 -3.960 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 7.495 -1.193 2.432 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 21.636 -3.486 8.945 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 -0.088 -4.899 -13.321 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 -1.132 0.371 -0.172 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 -1.625 -11.269 -7.846 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 9.590 9.428 14.233 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 -1.591 -8.752 2.171 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 12.174 -6.188 -5.914 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 -6.530 -9.922 8.591 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 -3.810 0.215 -1.894 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 3.122 -7.996 -25.595 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 10.741 4.334 -10.548 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 -0.740 2.197 1.898 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 -9.583 -7.896 2.280 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 2.213 -17.689 -2.936 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 -0.596 -4.813 -1.756 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 0.944 -1.802 -14.260 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 -12.529 11.763 -3.797 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 2.413 0.993 -2.196 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 17.387 3.143 -21.838 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 6.449 -6.390 15.522 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 5.867 -3.803 0.739 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 3.584 -1.280 -0.546 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 11.645 -9.221 2.655 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 0.238 -3.651 -1.584 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 -3.101 -3.792 -11.635 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 6.336 5.000 2.679 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 1.525 4.849 -0.708 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 12.113 -4.193 -16.145 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 3.986 -7.075 -16.948 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 -1.905 0.367 0.049 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 -9.066 3.758 -7.559 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 -3.207 6.626 9.824 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 1.074 4.321 7.596 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 6.560 4.485 4.310 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 -27.390 -8.310 15.767 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 -0.122 6.505 11.017 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 -4.053 9.789 10.313 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 4.480 10.548 7.210 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 5.899 -1.028 -2.385 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 -2.066 -11.033 -17.176 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 -0.123 14.406 -20.429 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 5.519 -5.274 2.494 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 2.736 -7.989 2.797 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 -20.384 -6.584 1.862 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 0.240 -0.722 0.489 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 25.459 -17.734 4.477 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 8.452 -10.213 2.655 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 2.578 -0.489 0.090 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 -9.841 -27.712 -16.657 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 13.868 -15.544 25.012 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 -3.611 -0.244 -2.409 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 -10.434 3.742 -6.415 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 -3.706 0.322 -2.719 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 3.512 0.151 -1.810 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 -0.750 12.102 4.393 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 1.937 4.103 4.113 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 -3.731 1.436 -2.601 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 0.249 8.684 -3.157 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 -2.312 6.932 -3.257 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 -2.402 -6.765 2.432 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 18.385 8.824 -13.779 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 13.778 -17.441 10.377 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 -2.115 -8.061 2.645 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 0.908 -8.412 -4.061 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 3.605 -16.052 -2.305 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 0.865 -8.816 3.980 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 2.856 -5.029 1.659 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 11.645 -13.623 -15.505 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 -4.479 -6.175 -1.830 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 -10.133 -14.110 -2.500 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 6.390 2.819 0.141 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 3.005 3.354 -5.829 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 -2.324 5.560 2.561 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 0.416 2.305 5.459 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 0.669 0.608 -2.455 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 -6.953 4.509 -11.260 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 -3.834 3.841 -9.780 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 -0.008 -0.367 1.030 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 -4.108 -21.832 5.656 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 -3.596 -0.744 7.593 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 6.100 -4.613 -4.553 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 4.640 25.025 1.463 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 -16.878 7.126 1.146 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 -3.306 -7.404 7.607 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 -6.286 -16.424 17.504 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 -13.953 -16.788 29.546 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 -2.060 8.268 4.370 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 1.844 1.982 12.655 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 2.914 3.492 7.085 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 -0.527 -2.898 -1.210 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 -1.383 4.513 2.475 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 5.323 5.227 -7.461 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 2.674 2.610 -0.212 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 -2.570 -5.864 -3.179 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 -10.055 -7.387 -0.217 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 -1.329 -2.728 0.397 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 17.443 12.923 -21.448 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 -2.507 -7.739 5.939 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 2.664 -5.660 1.280 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 -0.483 -2.248 5.187 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 6.713 -22.709 0.715 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 -2.773 1.104 0.311 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 4.332 -0.280 -0.383 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 6.717 1.816 -2.782 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 2.925 1.485 -0.256 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 1.359 9.089 0.409 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 2.345 0.109 -13.347 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 -2.762 3.990 6.132 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 -12.837 16.340 -9.143 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 13.817 -2.468 -2.398 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 4.618 1.885 -2.397 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 12.162 -9.716 -2.890 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 -5.937 14.210 -7.481 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 -8.497 2.916 4.087 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 -18.177 13.820 9.285 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 3.471 10.995 1.486 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 -1.984 -2.222 7.574 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 -26.889 22.588 3.701 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 -4.147 4.959 -7.527 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 -4.770 -5.885 -6.495 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 -3.652 24.943 2.204 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 -5.245 9.336 -5.035 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 3.611 4.577 -4.663 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 4.192 9.615 -4.790 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 10.688 21.943 2.822 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 -3.543 -1.025 -6.822 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 5.229 23.254 -13.922 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 -1.943 5.203 -9.256 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 3.685 2.625 3.171 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 -4.910 -10.654 -18.323 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 24.840 -8.984 9.442 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 -1.619 2.409 8.060 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 -5.748 -4.097 9.442 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 -1.808 -5.621 13.878 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 0.569 -0.274 -9.412 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 -1.739 2.576 -7.105 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 -4.505 25.579 -16.648 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 -0.286 -1.950 0.827 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 0.780 -3.082 4.365 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 -2.432 -4.385 2.662 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 -2.943 0.447 1.302 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 -4.589 -9.841 4.197 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 7.731 0.210 -2.368 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 -4.256 -0.041 -7.850 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 -8.568 12.530 -16.239 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 2.885 6.890 -0.466 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 4.086 0.689 -6.075 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 2.120 6.378 0.498 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 10.691 -3.088 -3.254 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 -5.254 -8.411 -0.437 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 0.038 -17.768 24.195 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 0.011 -13.879 7.796 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 -0.339 4.587 0.463 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 -20.443 1.740 -11.393 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 15.845 -11.812 -6.712 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 -0.472 -0.683 3.180 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 6.584 0.713 11.567 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 10.687 -6.050 -2.723 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 2.330 -0.492 -3.992 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 4.430 -19.146 -4.874 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 2.560 7.782 -0.625 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 0.785 -1.974 -3.821 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 9.369 4.707 1.088 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 -1.558 2.001 -3.338 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 0.217 -1.768 5.432 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 -3.703 -1.374 7.099 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 5.992 12.202 13.623 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 0.299 -0.847 4.294 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 0.045 11.634 -7.464 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 -0.423 -1.118 10.927 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 2.658 6.309 2.362 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 2.044 -9.252 19.741 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 6.736 0.352 19.344 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 0.178 4.346 -0.383 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 3.755 26.561 -13.170 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 -1.953 16.305 -8.401 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 -4.432 -2.772 5.387 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 14.101 0.039 9.099 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 -12.658 5.051 19.015 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 6.790 6.239 1.694 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 5.918 12.973 -23.102 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 8.249 -10.701 10.322 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 3.627 -1.344 2.737 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 6.593 -18.831 -12.533 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 -4.366 11.565 1.220 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 3.011 -4.500 1.787 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 10.515 -9.112 6.102 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 2.519 -6.461 10.474 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 2.348 0.983 1.854 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 -1.350 25.384 -16.907 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 5.202 -6.724 14.237 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 7.908 5.091 -0.541 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 9.107 28.232 -38.309 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 -2.922 -25.828 26.343 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 2.285 -4.538 3.588 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 4.916 -38.261 -16.809 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 1.717 16.184 17.251 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 7.231 4.006 3.998 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 16.885 -5.323 8.212 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 -2.029 13.032 3.781 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 -0.297 0.942 3.277 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 2.678 13.955 0.037 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 9.258 -17.014 23.991 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 0.426 -2.105 0.308 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 -13.236 19.968 1.657 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 -4.074 -11.263 4.449 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 -1.452 -0.016 4.819 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 -0.823 -6.676 0.846 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 -8.613 -7.983 8.441 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 -6.387 -8.589 3.280 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 -19.982 -28.200 -17.536 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 7.480 -13.759 13.815 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 2.155 0.704 -7.261 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 20.345 -4.261 -8.441 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 9.881 -1.330 -7.529 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 -7.578 0.989 7.822 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 -5.101 5.066 10.928 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 16.373 18.278 0.118 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 2.554 4.553 -2.051 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 11.088 20.814 15.914 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 -0.506 9.388 -7.691 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 -3.093 7.175 3.273 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 25.789 -1.684 4.141 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 0.330 21.999 -17.703 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 -5.228 -0.751 -3.870 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 -10.437 -5.856 25.587 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 -15.514 20.744 -12.202 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 -8.530 -4.518 8.897 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 1.862 -22.509 24.501 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 2.506 1.211 34.549 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 -7.992 2.984 -7.717 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 3.208 12.832 7.022 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 -11.788 -1.466 -12.327 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 0.656 0.064 1.866 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 5.826 -15.414 -7.742 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 -13.371 -8.002 11.308 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 3.326 -0.340 -0.631 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 10.321 10.107 13.329 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 -2.526 -14.250 -10.017 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 7.371 10.360 0.479 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 2.859 9.288 35.645 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 34.422 -13.593 2.842 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 -0.303 -9.134 8.107 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 8.067 -0.125 -2.470 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 9.915 11.744 -5.301 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 3.036 0.649 -1.511 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 20.954 -6.948 10.525 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 -9.453 -3.730 -6.625 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 -1.363 -6.316 1.575 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 -17.154 -19.751 6.135 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 11.532 -10.976 14.371 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 -1.057 6.369 6.181 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 1.180 15.331 7.632 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 -13.036 -2.185 2.972 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 0.251 -1.429 4.946 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 -0.107 0.241 -0.855 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 -4.093 -14.782 13.474 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 -1.868 -0.743 -1.391 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 3.786 -10.470 9.309 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 6.207 -1.904 -5.601 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 -0.229 1.893 3.134 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 32.681 -0.591 -1.346 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 -12.005 -26.928 -7.882 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 -2.995 1.389 -0.340 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 -27.881 6.709 1.075 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 -3.498 -22.608 -12.164 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 0.377 3.102 -1.091 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 8.875 3.991 -2.067 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 -3.395 1.815 -1.068 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 -3.820 -4.762 7.554 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 6.080 -10.318 -9.577 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 -3.125 -2.519 1.744 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 -4.686 -0.800 -1.585 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 -6.168 -1.121 -0.181 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 16.542 -5.724 8.879 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 -0.041 1.301 -0.463 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 -5.029 -6.573 9.218 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 11.783 -3.251 -12.205 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 -9.403 -1.799 5.945 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 -0.931 2.359 1.224 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 -12.882 -1.464 -2.028 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 -1.169 -3.586 -2.451 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 -6.822 -1.778 7.596 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 7.347 -10.953 -0.339 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 -4.086 -0.880 2.090 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 0.403 4.177 6.793 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 -7.031 -5.583 9.148 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 -2.028 -7.105 1.987 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 -11.384 13.666 15.242 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 -13.061 -3.335 -19.151 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 -3.311 -3.400 3.246 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 -7.443 14.174 15.648 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 -3.706 -3.410 2.279 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 -0.832 -4.834 -6.314 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 -38.545 15.265 -12.969 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 5.105 27.106 -16.489 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 6.047 -5.103 -2.594 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 9.198 -5.857 8.871 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 5.723 -16.110 -5.180 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 -3.690 -2.465 1.128 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 -5.083 1.974 -2.900 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 -3.181 0.782 -1.126 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 -1.681 -3.415 -2.956 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 0.303 0.613 -4.126 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 -6.245 -2.631 -2.551 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 -1.961 1.119 -0.048 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 1.289 14.865 17.564 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 10.954 4.273 -11.107 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 -1.081 -9.636 -5.599 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 -9.741 21.598 7.689 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 8.227 -26.771 -13.361 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 3.983 -6.555 1.066 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 -29.698 -6.406 -18.599 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 -14.759 2.909 -13.555 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 -2.139 0.566 -3.366 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 -4.567 -4.652 1.545 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 -5.488 1.880 -0.276 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 4.608 -0.701 -0.213 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 13.982 3.121 -5.430 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 -8.925 5.464 16.780 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 7.731 1.108 2.281 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 22.604 -6.183 -1.156 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 -26.510 18.690 5.705 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 -5.490 -2.369 4.338 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 2.334 1.035 5.083 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 -16.465 -12.331 3.490 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 -0.275 -4.446 -1.354 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 17.062 8.324 -5.856 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 -17.136 -3.104 5.372 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 6.815 0.950 -3.009 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 12.135 3.131 -6.227 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 -7.595 0.697 1.445 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 -0.071 3.954 -2.875 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 3.257 2.835 -3.660 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 -14.012 11.961 -9.548 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 -1.188 -8.498 2.385 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 5.414 14.308 1.359 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 -4.394 -23.222 2.576 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 -2.060 -2.652 -0.993 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 1.890 -7.605 -2.712 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 8.794 -5.607 6.335 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 1.179 -2.745 4.524 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 1.243 -3.275 5.077 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 16.097 -18.291 15.533 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 1.259 -4.368 0.778 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 -10.230 -20.367 -5.695 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 -8.389 2.711 -10.564 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 0.890 0.596 -2.612 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 2.935 1.433 -11.701 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 -0.828 7.805 10.361 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 1.567 -8.834 -0.324 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 5.440 9.416 -2.832 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 24.179 3.211 -2.823 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 -0.571 -5.795 1.514 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 -9.027 -1.618 -11.736 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 2.337 10.314 28.851 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 -0.647 -0.369 -5.006 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 -14.706 24.206 9.561 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 4.330 -0.793 20.084 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 7.898 0.418 3.918 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 1.056 20.231 1.033 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 8.137 -1.739 2.461 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 2.553 5.825 0.838 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 19.219 -9.848 4.143 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 -21.959 -23.653 -1.015 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 2.817 -3.075 4.755 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 2.800 -1.818 6.128 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 -15.981 -13.715 2.331 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 -0.731 -6.138 -4.422 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 -37.589 -1.776 -34.491 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 -14.360 3.681 11.983 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 3.491 0.575 3.676 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 12.004 -5.509 6.510 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 -3.159 -31.538 4.607 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 3.559 5.797 9.058 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 -13.515 3.585 3.654 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 3.601 7.887 8.441 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 2.431 -0.910 8.341 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 -1.863 -9.807 -13.109 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 10.938 11.673 23.635 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 -7.341 3.049 -6.876 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 -33.188 7.719 -4.464 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 14.098 17.882 7.508 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 4.934 1.672 6.242 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 5.469 -0.935 8.733 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 8.860 4.074 -1.533 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 1.984 6.892 -2.486 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 1.768 3.572 -0.193 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 15.232 -16.042 16.093 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 -4.718 2.917 1.091 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 -3.090 11.013 17.459 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 -13.435 -9.214 -2.848 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 -0.761 -3.968 5.369 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -3.721 3.566 10.059 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 6.560 0.458 -8.600 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 -1.043 -3.885 -1.706 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 17.267 12.896 9.331 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 -2.604 -4.458 -3.744 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 5.984 -9.079 2.412 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 0.314 -9.404 8.718 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 3.500 0.659 -13.885 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 4.656 -7.446 -4.763 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 4.911 -9.668 -3.437 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 23.634 4.228 -1.807 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 -2.705 -3.240 4.284 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 11.958 19.837 -8.769 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 -10.464 -10.723 12.605 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 1.691 4.609 3.470 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 14.708 5.480 -19.672 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 -7.182 10.879 -15.249 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 -2.293 -0.484 -1.937 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 2.442 10.064 7.836 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 2.065 -2.820 -10.921 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 2.866 -6.140 -6.737 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 -8.901 3.855 -1.373 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 3.454 12.715 11.216 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 1.466 -6.345 3.839 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 7.748 -26.408 -18.089 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 -23.104 -10.985 17.471 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 0.477 1.535 2.584 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 9.535 5.994 1.243 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 -18.984 0.367 -13.432 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 -1.700 1.588 -2.974 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 24.077 -15.629 2.049 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 3.999 9.915 -24.860 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 7.491 3.909 2.773 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 -2.116 -23.154 -38.280 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 13.453 14.247 3.249 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 -0.910 -0.700 -4.475 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 10.077 12.435 -27.795 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 -1.157 -8.440 3.077 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 -1.883 5.397 0.662 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 0.199 1.660 -4.688 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 7.273 6.732 12.071 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 2.979 4.182 0.499 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 9.617 7.606 1.315 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 -17.063 -4.632 -9.748 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 -2.969 4.152 5.224 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 12.952 1.104 13.073 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 -8.348 -7.514 -5.256 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 1.150 -1.604 -1.240 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 26.692 0.461 -1.239 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 -2.871 -0.275 1.964 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 4.764 -0.062 7.430 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 2.232 4.121 14.995 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 6.311 -1.801 6.841 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 3.072 -1.842 -0.220 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 7.390 1.037 -7.363 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 19.968 -12.488 2.323 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 0.758 2.942 2.536 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 2.956 5.178 4.840 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 -5.515 -6.265 18.427 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 -0.082 2.994 -3.565 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 -3.263 21.258 -7.799 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 -17.659 0.628 -13.184 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 2.462 -5.846 -0.406 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 -8.893 3.428 5.112 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 -3.621 -10.428 5.068 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 -0.264 -2.341 0.633 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 -5.343 -21.526 -5.952 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 -18.874 5.369 7.725 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 4.599 3.758 -6.034 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 21.794 3.412 22.501 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 -2.439 -14.143 24.451 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 4.874 -0.510 2.063 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 7.252 -4.720 -2.962 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 -24.030 -3.177 16.928 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 -7.595 -1.761 2.935 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 -0.194 7.122 -7.942 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 -10.786 -0.822 0.317 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 4.527 -5.787 -2.597 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 12.904 -9.218 -8.720 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 -4.825 -6.166 -9.809 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 4.042 2.906 -2.744 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 17.461 -6.260 -2.914 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 -15.194 -5.816 7.295 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 2.196 -0.716 -3.884 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 -2.963 14.065 -29.356 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 -1.722 -9.575 -5.742 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 6.085 -4.659 2.349 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 12.629 16.499 4.410 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 -13.896 -5.070 -11.760 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 1.769 -2.148 8.426 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 -2.342 -2.783 9.457 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 8.294 -9.305 -4.995 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 0.308 0.299 -4.540 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 7.771 7.781 -2.661 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 2.317 -4.075 -3.292 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 1.123 0.942 1.949 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 -5.352 31.531 -1.403 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 0.345 -4.929 4.352 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 2.354 -2.620 -2.810 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 7.102 0.110 -3.539 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 6.820 -6.247 -0.714 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 -3.062 -1.717 -0.572 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 -11.149 0.398 0.601 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 -8.875 -14.783 0.091 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 0.573 2.303 4.338 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 23.340 -10.649 3.937 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 -2.026 7.983 0.693 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 2.108 -4.329 -0.232 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 -2.187 19.244 -1.085 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 -12.535 -18.369 -4.306 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 -2.826 1.005 -4.204 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 -12.500 -6.851 6.853 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 4.401 -11.332 -3.118 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 -2.058 -1.014 -0.981 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 -10.082 -30.528 -19.204 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 -19.096 7.184 26.573 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 3.811 1.677 1.706 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 6.979 6.479 1.889 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 8.811 3.458 2.002 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 -1.551 -0.842 3.347 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 5.991 -9.453 -1.958 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 -4.151 6.190 -5.031 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 -0.136 -0.726 -1.709 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 -5.538 35.467 14.337 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 -14.400 -7.613 19.082 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -9.278 -3.205 -2.495 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 -7.715 -6.269 -2.091 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 -8.411 -1.650 -4.262 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 -2.914 4.447 -5.835 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -38.355 35.291 -20.088 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 24.677 -20.800 5.595 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 4.305 -2.433 5.684 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 9.481 -14.537 0.167 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 -1.393 12.235 18.429 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 -5.089 -2.810 2.232 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 -7.318 -15.402 18.510 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 -10.503 -3.554 3.988 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 -5.294 -1.316 0.241 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 16.090 2.477 -14.630 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 -5.213 -8.136 2.826 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 4.159 0.440 0.977 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 0.107 15.295 -11.229 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 -12.482 4.958 10.138 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 -1.483 4.545 1.539 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 6.580 9.153 11.050 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 -1.870 -7.360 21.481 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 -4.050 -1.080 3.598 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 -26.967 4.447 -16.762 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 -1.104 3.665 1.538 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 0.813 -1.724 -0.547 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 6.699 25.763 7.667 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 5.366 -7.102 -5.986 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 -0.762 5.585 -2.752 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 -3.855 0.238 -3.068 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 7.429 7.922 12.974 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 -1.276 -7.673 -1.497 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 8.943 2.677 3.020 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 8.721 -15.892 -13.826 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 1.155 1.264 -1.109 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 -10.219 -8.964 21.203 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 4.555 0.211 -5.075 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 -1.411 -0.922 -2.230 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 6.279 2.952 -1.071 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 22.472 -10.446 -1.506 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 2.366 7.177 0.163 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 -0.434 -5.613 -2.242 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 4.195 12.756 0.686 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 3.059 -4.038 1.136 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 9.556 -7.474 16.128 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 -16.855 -2.504 5.669 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 -9.251 -0.431 -1.626 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 -15.968 -2.459 17.221 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 13.477 1.619 -25.611 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 4.194 -1.539 -1.670 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 28.019 12.024 -6.695 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 -12.898 36.294 9.590 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 1.759 -1.032 0.228 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 -21.973 2.722 7.236 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 2.849 1.184 20.168 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 -2.036 1.674 -4.134 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 -10.466 24.999 -3.078 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 -14.936 -9.917 -25.917 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 -7.398 -7.104 2.245 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 9.476 21.625 24.967 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 -28.820 -13.034 5.097 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 4.056 -1.862 -6.137 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 8.796 11.184 -8.492 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 -0.655 6.448 -3.231 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 -5.535 3.064 -3.830 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 4.908 4.146 6.409 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 0.509 7.021 -3.523 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 -0.105 2.689 2.848 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 -2.065 22.523 -17.034 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 -21.920 -1.720 2.939 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 1.860 1.641 1.647 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 12.386 19.415 6.644 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 10.580 17.772 6.650 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 7.277 -0.501 -1.751 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 15.782 -5.341 -2.922 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 -0.268 -22.665 6.288 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 4.317 2.490 -6.945 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 -8.592 24.645 1.573 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 14.964 28.605 -13.477 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 3.837 -0.113 -4.223 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 8.803 6.003 -5.792 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 6.010 -1.145 2.093 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 0.240 0.680 -5.504 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 -3.113 -0.603 -9.826 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 5.716 -0.291 -7.713 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 0.471 -1.959 -7.537 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 -3.426 -10.955 -4.906 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 3.239 6.217 -10.147 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 4.258 -2.911 4.727 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 -7.035 -5.232 -0.544 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 40.376 -4.993 9.526 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 0.334 2.226 2.202 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 1.875 -8.463 -0.105 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 3.264 4.786 14.764 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 -2.428 2.624 -2.999 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 -4.335 14.533 15.653 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 15.242 -4.127 8.145 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 2.711 4.305 0.884 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 1.203 -18.671 -17.531 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 -0.267 5.562 -4.586 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 2.791 1.165 1.751 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -21.369 8.821 -16.366 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 -1.556 4.825 28.287 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 6.214 -6.148 -3.055 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 -3.221 -12.953 -2.347 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 9.127 -0.804 3.700 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 -3.105 2.296 -13.729 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 11.103 -8.792 9.767 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 7.358 7.500 -22.516 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 3.298 -0.892 -5.195 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 -15.558 -22.736 10.672 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 10.480 10.662 -15.245 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 3.304 0.179 1.912 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 9.258 9.992 -7.338 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 -2.659 12.279 3.855 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 -3.803 -1.612 5.297 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 -6.029 1.656 5.720 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 -17.165 27.388 9.917 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 9.580 2.185 -2.266 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 15.205 -18.248 6.094 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 -11.519 3.497 3.864 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 -4.004 -0.775 -3.199 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 -10.977 -4.655 -2.287 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 -5.058 1.748 -4.509 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 0.102 1.670 -4.182 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 0.141 3.561 -3.099 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 -0.171 -1.179 -10.193 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 -4.075 1.871 -1.056 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 0.912 21.443 18.725 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 -5.706 -4.778 4.717 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 -2.970 1.888 -1.959 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 1.747 18.821 -7.214 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 -6.936 6.058 -4.150 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 -0.535 -4.639 -0.798 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 7.849 -0.235 -6.242 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 13.139 0.890 -3.644 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 -6.990 3.260 -4.011 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 -5.003 -4.020 -5.900 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 -0.582 -35.140 -0.618 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -1.166 -4.321 1.157 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 11.186 -1.147 -19.615 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 9.377 -8.360 -20.321 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 0.960 -2.385 -4.310 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 6.122 -5.872 24.988 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 -19.404 9.867 -9.719 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 5.116 -3.425 1.533 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 10.884 5.247 1.505 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 -1.707 -2.759 9.209 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 -3.834 3.830 2.650 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 -9.531 -6.940 9.673 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 -11.697 -9.394 8.278 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 -3.621 3.412 -4.613 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -27.019 -11.868 5.015 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 1.987 -1.606 -5.395 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 5.250 -0.121 0.274 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 3.864 -4.381 7.652 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 0.163 -2.166 0.864 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 -0.080 3.730 0.571 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 -2.055 2.267 10.629 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 4.235 10.355 -18.198 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 -6.495 5.579 -0.619 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 3.794 9.736 -19.075 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 -17.061 11.400 3.565 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 -1.652 -1.973 -3.875 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 17.426 -10.421 -16.831 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 0.381 -0.130 1.778 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 -1.863 6.937 4.148 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 3.200 -10.692 18.348 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 -5.096 11.696 -0.773 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 -0.289 -0.418 -2.995 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 -1.528 0.913 33.989 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 0.351 0.934 24.306 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 2.062 1.632 5.026 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 15.602 12.862 0.180 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 -18.435 3.858 11.463 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 0.722 -0.093 0.408 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 8.651 -6.357 7.683 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 3.671 -3.256 5.339 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 1.981 3.510 1.619 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 6.183 3.565 -14.418 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 2.150 -5.277 -24.401 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 -1.182 3.414 -5.377 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 -13.910 -8.339 -4.667 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 -19.096 1.024 4.111 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 -6.138 -0.396 -4.778 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 -1.363 14.044 -0.645 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 -0.888 -2.455 -19.726 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 1.033 -5.795 -2.410 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 -2.461 -3.176 -6.732 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 -4.739 -8.052 6.202 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 3.287 8.530 -8.924 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 -6.301 1.247 -16.846 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 -1.549 4.378 -19.598 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 -8.402 4.317 -4.048 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 4.326 -22.710 20.284 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 -8.558 -0.776 -5.420 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 -2.479 4.724 0.527 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 3.342 7.217 2.693 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 -15.514 24.053 -15.544 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 -0.640 -6.319 -8.616 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 2.329 -6.568 30.275 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 11.265 10.556 -1.612 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 6.395 3.449 7.216 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 -5.032 23.183 3.013 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 21.386 -23.860 15.487 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -4.038 1.889 3.271 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 0.353 -8.932 -3.089 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 -8.353 10.785 4.604 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 2.748 3.726 -2.663 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 4.345 0.037 2.479 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 14.922 22.258 -8.850 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 4.480 -3.258 0.437 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 0.865 10.196 -16.311 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 1.313 -18.806 -5.196 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 1.841 1.081 -2.616 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 -17.593 12.312 6.120 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 -0.536 -2.094 12.336 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 2.504 5.148 3.643 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 -10.524 11.499 8.294 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 14.889 -1.609 -1.443 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 4.080 5.294 4.380 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 9.159 -1.711 -9.346 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 -5.757 14.720 10.054 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 2.042 -4.193 -2.815 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 -5.431 -24.138 -14.348 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 21.036 -0.494 1.814 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 8.671 -3.932 2.761 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 7.019 -6.894 5.416 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 -5.696 -9.130 0.491 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 -2.683 4.435 1.139 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 -5.807 9.397 -10.241 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 -12.159 18.320 6.333 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 -1.216 -6.008 3.381 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 -12.264 36.749 9.131 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 1.385 -11.224 1.866 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 0.351 1.543 0.021 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 12.878 13.432 -2.465 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 9.725 5.519 28.138 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 -0.406 5.380 1.111 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 -1.230 -9.927 1.971 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 0.715 -18.124 7.616 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 -10.014 6.199 -2.875 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 -9.023 5.885 -1.059 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 1.996 -10.778 15.215 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 2.740 1.114 3.429 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 16.739 -12.878 4.378 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 -4.906 2.966 22.051 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 3.468 2.091 -5.534 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 3.549 12.952 -16.109 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 2.343 -13.372 9.726 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 3.108 -4.900 6.282 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 3.208 12.515 -2.763 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 28.285 11.089 -10.561 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 5.392 0.844 1.478 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 -0.184 6.498 -1.165 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 -0.417 6.050 -6.490 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 -3.222 -3.073 4.142 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 -8.088 -27.566 -6.247 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 -15.224 -14.039 -3.390 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 -0.122 5.706 -9.313 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 1.210 -1.434 -13.966 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 -0.030 -2.449 -10.378 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 -4.952 1.464 0.297 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 -3.976 0.385 2.172 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 -3.374 0.275 -0.478 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 2.182 0.954 -6.501 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 -8.248 -8.866 -9.133 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 2.024 -5.721 -6.142 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 -3.996 -2.190 5.138 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 -5.429 7.206 4.359 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 -26.261 -21.352 -9.866 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 -1.726 -6.047 -0.471 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 5.621 -6.437 -3.075 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 9.297 -3.500 -6.855 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 2.331 4.305 0.730 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 11.692 8.817 -12.788 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 -3.247 6.096 4.692 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 -5.822 -5.659 1.740 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 6.565 5.389 -6.771 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 -20.395 5.161 13.116 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 -0.841 1.291 0.243 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 -0.116 -1.841 3.976 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 -25.088 -3.252 -1.631 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 -1.797 -1.468 3.346 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 -0.668 -10.073 -13.587 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 6.178 -5.956 9.633 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 3.169 -1.141 -6.142 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 -1.555 5.995 18.001 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 9.382 -4.120 -3.509 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 2.409 -4.513 1.343 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 14.721 -4.166 10.498 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 10.296 -5.514 6.684 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 -2.134 -1.531 -3.470 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 -3.122 -3.666 -4.019 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 0.706 -23.299 3.892 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 -1.933 -0.826 1.814 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 2.853 1.056 -9.821 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -11.748 -17.162 2.241 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 2.582 -2.099 -8.852 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 -6.237 1.100 -2.250 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 4.243 -4.255 3.302 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 -3.556 2.023 4.542 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 -13.104 5.240 -12.923 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 23.531 -11.403 -20.760 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 -2.177 -0.468 -5.016 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 -7.218 12.695 -7.273 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 8.691 -1.862 -7.326 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 -3.975 0.566 -4.213 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 14.527 -20.909 -1.603 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 -14.170 16.591 -10.605 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 1.281 7.137 2.913 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 1.153 1.050 -15.416 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 -1.020 10.019 -9.840 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 -0.447 4.247 2.630 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 3.861 -7.713 -12.712 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 18.910 7.551 16.030 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 -3.865 -6.320 2.595 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 11.649 -15.760 -7.912 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 -17.368 -0.297 -10.369 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 -1.864 -0.564 -5.139 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 -7.518 -11.718 -4.042 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 -6.614 1.443 0.645 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 -5.649 3.368 -1.761 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 1.408 -1.641 -6.891 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 -4.075 9.193 -4.042 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 11.932 3.120 0.925 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 8.468 -1.696 8.679 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 3.796 -1.712 5.412 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 -1.367 -0.551 -6.092 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 7.882 5.707 7.506 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 3.892 9.888 8.955 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 -3.573 0.703 -4.539 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 16.130 -3.072 -15.249 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 -13.303 4.251 -5.876 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 -2.227 2.286 -1.653 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 -5.276 -18.752 -12.169 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 -12.322 22.608 10.304 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 -0.846 8.971 -2.727 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 -5.787 -11.206 12.317 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 3.634 7.356 -4.282 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 -0.257 -0.363 2.659 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 0.255 -6.294 4.222 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 4.223 2.913 -2.185 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 -3.659 -1.515 -0.625 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 -4.730 -2.938 -5.441 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 2.277 -1.595 -0.491 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 2.275 -0.177 -1.080 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 6.075 -2.833 -5.789 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 15.901 18.883 -2.068 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 -3.281 1.425 5.486 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 9.869 18.524 -9.462 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 -7.097 -6.558 10.632 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 2.324 -3.486 10.723 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 14.013 -16.702 -8.835 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 -4.104 0.659 14.051 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 -2.933 2.510 -2.584 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 -11.060 24.474 6.356 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 -3.636 -19.984 15.631 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 -3.223 -3.287 1.017 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 10.190 -14.116 -7.179 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 10.645 7.483 -7.123 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 1.681 -2.477 -0.781 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 -2.351 12.922 3.471 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 -6.467 -12.720 22.517 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 -5.153 -2.626 1.398 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 -4.342 12.589 12.641 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -21.448 6.468 -23.996 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 -5.527 1.368 -10.099 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 1.382 -9.072 -0.641 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 20.918 -11.211 -11.009 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 1.925 1.099 -3.080 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 -4.830 10.629 -13.883 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 2.708 0.970 -13.010 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 -4.789 4.674 -2.789 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 -30.666 11.513 -8.462 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 12.549 -3.038 -1.766 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 -2.799 7.608 5.757 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 -12.574 2.837 -13.463 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 10.619 37.389 10.541 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 0.022 -7.232 3.691 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 1.969 -7.345 4.506 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 3.426 -9.177 -0.275 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 -0.514 -4.681 -1.805 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 1.382 -11.732 -1.014 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 -2.351 3.952 1.165 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 -0.744 -0.648 -7.784 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 14.077 3.168 -5.304 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 -2.055 6.156 -12.876 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 0.469 -3.057 6.501 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -15.653 -7.140 12.784 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 6.338 -11.970 -0.452 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 2.531 5.779 -4.331 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 8.877 4.663 -11.160 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 11.825 14.360 -37.347 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 -3.198 -4.163 0.636 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 16.249 4.457 -18.526 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 24.084 1.041 -19.392 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 -0.460 3.369 -4.048 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 -4.226 -0.983 0.475 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 -14.520 -8.414 0.705 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 -5.084 -0.792 0.922 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 16.007 0.117 14.378 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 26.010 -16.262 4.551 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 -2.421 1.980 2.239 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 -6.318 -10.934 10.202 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 -3.462 -6.272 5.752 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 -1.898 4.578 9.941 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 2.601 2.851 8.488 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 8.851 -6.478 3.680 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 0.369 -0.387 0.509 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 -23.499 -22.471 10.515 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 7.656 35.345 4.140 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 2.285 -1.836 8.189 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 2.451 16.394 17.964 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 12.431 -6.818 1.883 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 4.516 1.848 -0.155 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 2.925 3.245 -15.078 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 7.523 -10.045 0.076 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 -3.602 0.146 1.016 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 5.953 7.739 -0.556 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 -6.738 -5.890 -0.906 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 -2.509 -1.055 -1.756 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 1.294 10.367 -4.070 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 -11.923 -0.188 5.892 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 -1.566 -6.403 -5.246 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 -6.676 1.120 -6.312 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 -1.205 10.000 -22.137 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 2.200 3.446 -0.698 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 2.265 27.825 22.300 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 -6.289 -20.230 6.724 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 0.536 -6.087 -1.733 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 5.344 -12.919 0.930 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 8.920 15.808 4.076 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 4.777 -7.695 0.274 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 0.273 -5.907 -3.604 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 8.122 -19.557 -5.812 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 -4.026 5.772 -0.163 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 -17.485 3.217 29.786 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 -19.861 -23.922 -19.185 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 -1.045 -3.189 8.250 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 0.865 -5.777 -27.356 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 3.404 -11.230 3.260 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 3.014 -0.037 -8.976 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 9.614 -8.643 0.106 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 15.515 -17.816 8.456 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 -5.455 5.658 -4.805 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 -7.840 3.778 -11.099 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 -7.613 16.042 -3.180 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 -0.040 -4.776 -3.860 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 -5.103 -2.448 -12.602 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 8.457 -9.495 -8.463 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 -1.797 3.606 -4.267 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 7.649 5.801 -10.621 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 -1.672 0.561 -0.795 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 0.276 1.134 -0.991 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 -8.746 7.539 -2.849 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 5.340 -4.149 2.367 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 4.393 3.097 -2.875 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 -7.830 -1.499 -4.162 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 17.942 7.293 -1.288 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 -0.005 3.808 0.160 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 -4.075 7.388 -11.105 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 8.201 -0.562 -5.633 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 -5.522 -0.876 -10.554 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 9.842 -8.732 -18.382 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 -6.942 6.077 -4.540 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 -1.070 7.373 -6.443 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 10.686 -4.337 -4.615 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 7.297 1.092 2.602 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 -1.716 1.627 -0.956 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 5.641 -5.038 3.112 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 -3.142 -2.271 -10.784 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 3.866 -6.991 -9.187 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 -33.002 -25.498 -20.179 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 -14.897 -1.854 -19.039 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 -1.807 5.663 -0.154 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 -15.180 9.418 2.781 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 13.536 1.866 -2.047 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 8.270 -3.163 -3.239 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 8.894 -8.244 -1.711 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 28.042 5.753 -4.319 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 -3.740 -2.909 -4.761 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 -16.043 -0.887 -5.705 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 4.220 -7.671 -7.920 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 3.189 -7.557 -2.719 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 -8.275 6.072 -0.187 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 -4.350 -5.388 4.667 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -2.747 3.483 3.264 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 1.016 7.443 -2.707 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 7.200 42.931 -13.117 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 2.334 7.884 0.086 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 -3.487 -2.493 10.829 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 -4.880 -9.648 -7.688 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 -1.090 -0.543 0.774 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 18.141 -12.401 -15.301 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 -13.730 -9.937 -6.058 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 2.483 -0.649 2.877 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 -5.797 20.525 19.879 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 12.569 -10.822 -8.101 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 1.447 -0.319 5.720 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 -5.706 -0.138 1.895 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 0.344 -3.145 9.470 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 2.764 6.273 -8.048 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 9.105 2.069 0.379 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 -8.297 8.711 -6.446 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 -0.728 5.344 0.454 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 11.639 -11.057 -0.015 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 0.950 5.741 -2.595 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 6.681 -1.085 -0.329 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 1.818 6.238 -4.753 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 5.435 2.727 -2.267 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 -0.438 1.875 -1.990 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 -25.559 -5.441 -11.121 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 -0.967 -8.215 22.602 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 -1.750 -2.385 1.196 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 -11.670 6.444 -2.961 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 -11.744 36.661 -14.346 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 -1.316 -3.284 -3.831 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 16.675 3.129 13.654 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 -19.379 -5.644 10.366 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 5.705 -2.910 5.319 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 -9.112 -2.294 -7.719 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 -17.385 14.989 -9.277 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 4.583 0.116 -1.776 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 15.498 -20.633 12.704 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 13.743 14.178 -0.122 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 0.349 0.489 0.882 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 -7.468 -11.920 -6.776 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 0.260 18.503 -9.516 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 -3.390 2.715 4.123 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 -6.479 17.097 -12.830 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 6.497 21.797 34.452 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 0.258 -0.275 1.569 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 -5.122 -2.072 2.115 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -8.974 -3.444 4.108 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 1.593 -0.723 -1.559 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 17.287 7.633 -1.722 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 -5.223 -12.133 -2.455 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 6.839 7.396 -2.050 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 13.537 13.203 -12.363 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 25.590 3.310 21.360 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 -1.035 2.917 4.708 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 -8.745 -0.841 5.435 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 -5.895 1.170 5.094 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 1.187 -3.309 -1.182 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 1.593 -8.942 2.349 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 2.290 10.346 -7.060 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 -5.819 0.585 2.754 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 -5.485 -11.459 -4.536 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 -1.205 1.707 -0.477 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 1.472 -1.164 0.454 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 -23.099 -2.034 16.291 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 15.909 -14.759 -15.407 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 5.152 0.001 -7.357 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 -2.504 -12.883 -2.473 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 0.411 7.957 -4.600 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 -1.722 0.338 6.809 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 15.960 4.975 3.789 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 -6.214 5.156 3.425 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 -1.003 0.454 0.473 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 -22.378 22.370 -2.916 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 -12.970 -16.863 -13.748 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 -0.150 4.757 8.280 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 -1.774 22.249 -20.945 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 4.965 -18.536 46.219 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 -3.649 1.614 -7.371 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 -15.720 0.043 -6.771 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 -12.430 -0.843 -2.690 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 -6.394 -3.494 0.362 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 25.095 -0.847 5.260 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 -6.900 3.269 15.798 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 -0.792 5.511 -1.822 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 -8.046 1.239 -5.160 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 2.122 -5.391 -2.552 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 2.080 -5.162 3.846 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 -0.300 -2.894 19.061 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 -9.358 -0.569 -5.428 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 2.210 -7.316 -0.284 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 6.939 1.640 -0.385 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 -7.131 -17.635 2.458 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 -3.884 -6.543 3.582 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 -5.254 -7.416 4.339 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 1.021 -4.291 2.633 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 -0.421 4.023 -1.138 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 -5.548 5.303 2.064 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 -12.119 -10.151 -21.185 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 3.014 -5.037 -4.605 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 30.153 -16.074 3.024 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 -32.204 -5.186 -10.526 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 0.195 5.456 3.550 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 1.146 -12.379 23.456 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 16.658 24.661 9.262 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 -2.073 -0.215 1.691 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 -9.227 -3.476 -2.799 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 0.331 -0.004 -0.962 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 -2.483 -0.682 -4.730 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 -8.311 -5.080 -8.562 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 -19.835 2.684 -0.187 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 0.390 3.642 7.573 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 12.921 9.691 -8.870 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 -13.815 -10.924 -0.677 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 1.329 3.560 -1.386 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 0.068 -13.560 14.341 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 -19.148 10.256 -17.383 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 -2.013 1.149 0.817 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 1.712 0.350 -12.801 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 -4.967 -0.696 3.628 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 -0.720 5.767 -2.783 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 1.454 9.455 -2.127 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 -14.530 13.479 1.693 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 -0.418 -6.442 -3.938 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 -4.337 -6.419 8.561 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 -4.495 3.760 4.176 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 -10.273 -7.113 -0.908 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 -11.272 5.321 -4.763 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 -11.350 12.821 -6.257 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 1.259 2.224 0.818 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 -1.810 8.478 -24.670 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 9.211 1.946 -22.461 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 -3.372 3.129 1.659 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 17.964 -0.982 1.814 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 -4.375 4.663 2.075 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 -6.460 0.253 1.576 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 -0.733 -4.267 0.502 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 -4.077 3.149 -0.497 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 -1.324 -3.022 0.767 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 -14.920 5.295 7.182 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 9.057 2.770 6.287 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 -1.630 -0.866 -2.748 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 -6.064 16.376 5.679 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 -16.118 -15.249 -14.305 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 1.003 -0.472 3.069 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 -3.548 -4.550 6.663 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 20.131 34.088 -9.956 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 0.273 3.050 2.416 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 6.477 -18.334 11.051 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 8.268 -6.306 3.026 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 -1.513 2.286 -1.596 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 12.512 -8.743 -3.506 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 -9.356 -8.276 -13.508 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 -3.509 3.268 6.470 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 1.231 -1.039 11.736 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 -1.730 1.791 9.340 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 -1.772 6.122 -3.069 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 16.127 -7.644 -5.145 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 -10.820 7.708 -1.887 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 4.097 3.891 7.419 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 -0.412 -15.749 8.212 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 8.124 20.853 19.092 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 -0.332 -1.875 -1.868 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 -1.469 -4.952 -5.203 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 -7.295 8.840 11.268 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 -6.426 -0.590 -6.356 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 1.336 -3.593 1.369 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 8.448 -9.401 -2.976 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 7.090 4.816 -3.424 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 20.155 12.790 16.119 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 9.335 8.294 9.034 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 0.440 2.684 -0.158 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 26.933 -12.962 3.483 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 1.536 -5.923 6.157 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 -2.390 -4.301 5.090 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 8.471 -10.828 27.781 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 -6.407 -1.827 -6.180 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 -4.912 1.460 -3.571 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 -10.135 30.701 2.240 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 0.906 1.391 -1.658 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 3.209 -1.830 -3.356 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 7.967 -18.912 7.974 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 21.766 6.912 -14.344 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 1.841 -1.169 0.543 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 13.111 -14.116 9.767 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 0.252 14.208 14.503 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 -7.872 -1.115 -0.433 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 -1.732 13.037 -14.331 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 -7.619 2.218 -3.418 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 3.264 2.513 -3.150 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 -11.552 -6.613 -0.036 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 0.803 19.434 -3.618 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 2.457 -3.100 4.018 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 14.940 6.603 12.030 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 5.116 -11.360 10.814 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 -0.515 1.641 4.141 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 -7.424 7.207 3.967 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 15.784 -4.000 -3.860 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 4.130 -1.175 2.497 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 6.670 -5.691 9.269 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 8.765 -6.228 -10.227 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 8.826 -3.084 -6.796 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 11.105 14.834 0.418 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 8.233 6.997 -12.688 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 1.607 6.921 1.271 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 -4.916 24.703 -13.226 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 8.967 -11.923 14.423 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 9.143 5.181 1.327 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 -1.261 1.490 -5.203 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 2.588 3.138 -3.229 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 -2.375 -3.492 3.344 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 6.783 10.616 -19.575 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 -19.822 9.561 -14.690 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 -1.105 0.714 -9.502 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 -17.578 26.106 -10.456 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 -4.628 -3.990 -8.139 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 0.055 -2.933 -0.389 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 5.671 7.916 6.895 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 6.943 12.857 10.827 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 -1.574 -3.089 9.786 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 3.312 -3.689 27.743 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 -11.124 8.711 2.946 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 3.712 -3.390 -3.393 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 2.336 -1.439 -1.914 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 19.676 -1.579 1.642 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 4.806 -5.605 -4.533 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 -0.782 -0.724 -1.751 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 -0.148 -18.825 9.060 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 -0.339 5.476 -10.557 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 -9.872 -13.941 -21.709 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 3.598 -10.250 13.739 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -0.482 -3.875 -1.497 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 -0.017 -0.174 -0.234 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 6.481 10.046 6.817 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 -8.242 1.972 -2.936 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 -9.254 -3.430 15.743 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 -9.105 -2.494 14.119 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 -12.614 -3.492 -5.341 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 -11.392 -21.876 11.094 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 5.743 0.583 -20.915 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 -1.196 -1.170 -0.358 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 -17.792 -18.209 -1.829 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 -7.979 15.865 -22.881 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 1.283 -6.846 -2.089 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 5.061 -25.191 5.801 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 7.767 -31.858 6.132 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 0.249 -8.277 -3.697 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 0.904 -5.613 2.366 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 1.306 -17.288 -1.954 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 -2.771 0.664 -2.850 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 -4.598 10.680 -15.622 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 -6.174 -8.077 15.386 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 7.474 -6.878 3.693 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 14.979 11.402 14.615 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 25.844 -19.648 -4.574 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 3.175 0.737 0.846 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 11.960 -11.649 2.212 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 6.868 4.145 -0.289 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 5.231 -1.526 -1.465 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 -7.527 -13.120 -29.321 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 -9.909 -7.747 -2.089 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 -1.199 5.415 -0.940 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 -6.775 11.819 10.065 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 8.278 -1.958 0.233 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 -3.397 1.828 5.710 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 10.826 -1.395 9.646 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 11.032 -0.926 -1.186 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 0.756 -5.336 -5.651 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 -0.685 -8.359 -4.513 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 1.248 -5.280 -1.074 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 -2.694 -0.356 4.416 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 -23.437 2.991 15.580 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 2.039 6.588 -5.665 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 2.752 5.996 -0.120 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 12.125 -7.076 16.708 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 -5.453 -8.497 10.739 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 7.485 2.471 -4.056 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 20.092 8.491 -7.024 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 6.179 -5.119 1.790 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 -3.465 1.134 3.322 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 -14.834 4.912 -4.043 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 18.961 -7.789 19.776 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 -4.424 -0.627 -4.799 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 -15.872 -2.201 8.047 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 3.669 11.818 -18.402 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 -3.551 -2.795 -5.981 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 -17.051 -24.963 20.520 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 14.004 -41.383 -32.205 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 3.985 1.568 0.160 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 -6.073 0.529 1.207 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 3.530 11.888 14.356 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 -0.158 -2.691 4.298 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 9.184 -2.119 -8.408 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 7.243 -2.341 -6.620 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 0.582 -0.031 -0.221 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 8.441 0.369 1.827 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 -6.384 -9.164 6.153 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 -1.863 -2.103 -0.334 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 -6.386 5.281 0.830 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 -21.554 15.922 -11.520 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 0.008 2.410 2.870 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 2.340 15.953 2.302 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 16.348 -8.558 0.450 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -2.528 1.916 -4.806 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 2.706 12.403 -5.533 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 -21.159 2.308 -4.570 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 2.666 -4.556 0.101 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 -9.123 -5.756 -13.879 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 4.772 -4.218 2.552 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 0.783 -3.326 1.609 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 -39.951 17.634 18.036 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 -12.317 -9.235 -19.871 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 -3.638 -2.908 2.023 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 -15.093 -26.772 -15.326 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 -13.312 -1.696 -1.468 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 -1.086 -5.473 -1.924 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 -11.226 -0.311 -9.911 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 -6.586 4.204 5.683 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 2.934 -4.199 -8.249 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -9.651 1.125 -6.282 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 -31.015 5.170 -2.190 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 0.796 2.327 -1.965 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 -1.726 -0.417 -1.153 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 -1.649 0.742 -2.085 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 -5.049 0.601 5.040 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 1.789 8.011 15.230 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 -11.496 -1.927 -0.613 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 -0.476 -2.313 0.087 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 3.785 -8.187 -6.204 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 1.333 6.545 -3.240 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 -0.325 0.345 1.895 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 -1.582 1.178 -2.976 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 13.185 -5.842 38.334 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 1.100 0.970 -6.827 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 -6.095 13.829 -1.585 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 18.010 -5.681 -40.213 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 -3.914 -1.606 1.084 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 33.516 -1.087 16.028 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 5.466 -7.689 19.810 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 -1.328 8.317 2.918 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 -0.552 12.061 8.805 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 -9.680 17.171 2.777 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 4.188 0.536 -4.109 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 -33.531 37.632 -8.532 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 7.500 5.278 35.528 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 2.245 2.719 6.118 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 9.582 -4.119 9.705 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 1.092 -4.163 0.671 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 -3.901 0.308 0.400 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 -5.752 2.776 -21.464 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 11.504 3.140 5.798 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 1.356 5.070 2.529 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 -6.998 -8.236 -0.274 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 -12.988 -17.696 -1.308 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 -3.089 -0.579 -2.832 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 -4.087 -9.186 -0.207 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 -2.321 -6.856 -1.219 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 -2.213 2.742 6.791 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 14.024 7.178 -16.790 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 -32.727 -13.008 9.698 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 -3.676 2.464 3.423 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 -15.360 0.866 16.278 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 -9.640 1.129 -0.635 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 6.310 -5.116 -0.722 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 -7.663 3.933 13.801 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 12.854 -3.510 4.421 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 0.301 -0.774 -9.069 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 2.087 27.689 -13.395 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 1.301 1.884 6.029 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -2.335 3.863 1.952 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 0.554 -0.182 3.455 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 -10.056 -1.433 -4.656 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 2.750 -1.742 1.902 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 8.278 -3.881 3.128 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 -18.874 -9.655 0.254 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 -4.766 3.186 -1.097 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -4.474 4.649 -11.069 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 -8.133 1.747 14.684 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 2.123 1.750 -0.151 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 21.888 -6.449 3.219 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 -0.677 2.858 -6.276 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 0.167 -4.562 -0.455 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 38.066 6.549 -20.743 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 -7.504 0.948 -19.222 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -1.817 -2.335 3.502 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 20.471 -31.578 -0.065 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 -20.204 -8.799 35.238 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 -2.642 6.788 2.640 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 -1.836 -12.729 15.709 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 -13.299 -14.909 -20.689 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 0.843 -1.541 -0.098 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 8.178 -21.319 16.847 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 8.123 -11.630 -9.260 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 -7.309 2.728 -4.832 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 -24.876 -5.460 5.051 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 11.272 3.688 5.005 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 3.614 3.678 1.776 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 19.930 4.492 10.898 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 0.107 3.579 -3.515 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 0.773 -3.238 4.474 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 9.450 -2.955 0.612 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 2.290 -4.273 -6.026 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 4.356 3.306 -2.027 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 -2.769 19.384 14.547 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 -2.346 -23.622 5.499 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 2.703 -1.460 4.485 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 12.132 -7.140 0.299 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 17.482 -36.863 -6.200 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 -7.058 0.955 -4.590 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 20.893 15.776 43.839 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 9.936 25.922 9.581 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 -4.457 4.949 4.958 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 -13.787 -5.035 -14.238 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 12.249 -16.131 -32.099 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 -8.639 5.468 -5.444 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 16.964 -9.148 17.632 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 10.367 -15.062 26.023 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -5.227 3.657 3.541 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 1.887 0.227 9.361 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 6.491 -29.368 -5.191 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -1.044 -3.443 1.716 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 14.735 -6.471 5.595 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 -2.920 13.233 4.267 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 4.510 1.183 1.271 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 -5.908 -9.299 9.265 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 7.262 7.716 -6.432 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 -0.414 4.346 4.537 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 -2.026 17.877 4.865 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 -9.574 0.420 -3.207 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 8.580 -1.983 -2.300 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 8.459 -6.882 2.168 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 8.103 -9.120 1.309 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 0.370 -0.989 13.672 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 9.563 2.356 -11.012 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 27.616 13.961 6.138 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 2.775 -5.605 -2.416 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 -7.921 2.802 8.137 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 3.864 10.662 -8.135 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 7.550 5.228 0.009 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 -5.668 1.984 -3.944 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 14.164 16.484 12.654 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 -5.836 5.332 0.527 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 -7.936 5.799 2.413 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 -4.679 6.186 1.172 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 -1.150 -7.633 -0.353 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 -13.859 12.689 -1.197 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 -1.447 11.760 -10.510 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 -4.383 0.069 -3.738 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 14.231 6.708 -2.217 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 -29.254 -16.519 -7.417 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 0.072 -0.386 2.015 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 -2.063 -20.523 7.196 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 -19.506 -5.081 -5.641 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 -1.122 -0.208 1.375 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 11.675 -23.898 -12.291 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 -2.619 -13.246 11.767 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 -3.700 7.013 3.736 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 7.937 -8.843 23.632 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 -10.362 -16.652 1.250 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 -2.021 9.346 3.377 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 7.198 -20.479 9.260 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 -10.257 -15.069 -5.083 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 -12.618 -10.980 0.543 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 0.927 -10.266 22.117 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -14.256 -14.633 -9.670 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 -0.285 0.340 10.621 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 4.895 16.509 14.110 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 -7.538 8.008 -2.352 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 4.338 1.896 0.734 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 -1.515 12.503 13.986 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 0.243 -19.230 -15.709 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 2.451 -1.870 5.268 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 -2.932 -0.642 2.669 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 12.589 2.552 2.175 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 -4.029 -0.966 -2.108 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 -1.539 5.166 -10.620 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 -11.798 -1.757 8.265 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 -0.490 2.461 3.102 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 8.921 8.721 8.445 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 -10.952 13.130 -9.448 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 1.970 4.572 -5.193 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 -28.213 -0.994 24.489 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 -6.675 6.717 -5.903 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 2.144 -3.162 1.145 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 -9.339 5.024 -0.268 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 22.333 -17.632 3.573 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 -5.678 3.585 11.169 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 -11.873 -11.658 -0.849 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 4.642 22.998 26.445 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 0.275 -0.856 -4.881 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 -5.900 3.591 -8.616 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 -7.603 0.653 1.090 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 -0.592 2.723 -0.197 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 -9.953 -1.614 3.724 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 -3.773 11.237 -9.869 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 -0.075 -4.638 0.310 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 -13.903 -3.173 19.592 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 13.468 -13.881 5.106 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 -8.708 -0.966 3.437 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 -15.854 3.125 5.963 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 -3.127 3.153 -8.993 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 2.666 -2.102 -0.412 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 1.927 20.563 0.434 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 1.856 -12.228 -2.632 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 -2.963 5.665 -0.550 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 -0.180 4.109 0.055 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 13.358 23.236 -19.735 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 -1.825 1.812 2.763 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 -7.313 4.363 10.853 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 4.153 10.565 1.162 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 0.614 1.057 0.327 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 -2.083 -9.299 -9.376 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 0.807 -4.925 -6.391 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 -1.112 -1.052 5.850 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 -0.137 -1.308 -16.159 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 0.672 -8.257 14.453 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 2.342 1.352 -4.118 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 10.836 -20.213 9.615 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 3.618 -5.814 11.014 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 9.397 -1.397 5.273 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 -1.911 8.213 -26.227 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 21.048 23.513 10.789 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 -0.094 0.224 -5.071 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 12.002 0.683 -6.600 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 -8.747 1.075 -1.299 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 1.225 -7.932 -2.845 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 16.525 -9.444 -3.766 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 1.574 -6.283 10.672 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 0.034 1.538 0.615 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 8.071 -4.127 -12.630 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 -1.172 -8.226 11.390 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 1.772 2.498 -0.203 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 10.003 -9.256 5.746 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 -6.653 3.958 9.563 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 -2.959 4.541 1.388 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 -3.345 4.606 1.594 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 -3.322 6.709 -28.673 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 -1.448 -4.306 -0.354 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 6.762 13.550 1.961 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 17.216 -0.901 -15.285 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 -1.448 1.923 0.417 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 -4.810 7.371 -15.138 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 11.435 -20.708 0.657 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 -3.935 0.179 -2.712 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 -12.924 -1.368 28.332 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 -2.118 -7.925 8.965 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 -3.107 4.318 -3.381 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 -10.297 -10.634 -16.668 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 -6.446 -1.425 -1.746 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 -1.377 -0.749 -1.016 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 -18.537 -7.218 3.394 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 4.909 0.868 -2.259 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 -2.796 -0.510 -1.077 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 -13.163 -4.208 12.044 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 -15.811 0.076 8.990 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 -3.015 1.132 4.961 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 -20.348 3.817 4.830 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 30.114 -3.988 -14.374 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 -0.286 2.768 -0.131 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 7.480 7.152 4.148 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 -2.205 2.687 -6.271 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 4.441 -5.251 4.312 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 -2.529 -2.927 -1.549 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 10.256 -7.495 1.629 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 -1.903 5.962 1.207 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 -22.142 -1.716 -30.224 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 2.311 2.257 8.011 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 1.322 -4.070 0.614 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 -4.767 0.609 8.226 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 9.398 -1.561 -18.759 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 -0.314 3.687 0.142 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 5.596 18.501 4.835 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 13.605 -3.596 -6.888 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 -3.509 6.349 0.921 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 2.479 16.090 17.101 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 -1.453 7.480 7.483 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 2.197 -1.323 -2.239 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 2.894 -2.435 -2.714 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 0.733 5.971 1.342 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 1.399 2.428 -3.902 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 9.757 24.307 -1.968 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 -9.685 -0.356 10.392 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 2.236 -1.475 -8.554 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 1.782 -18.765 -15.693 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 -0.147 2.414 17.182 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 1.604 5.335 0.273 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 -13.928 8.577 -20.698 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 -14.651 3.163 23.035 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 -0.063 -2.953 -2.151 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 -1.084 -4.118 16.674 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 -6.338 -0.120 -9.056 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 -2.253 4.354 -5.419 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 -20.409 -7.108 0.401 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 7.296 3.378 -1.401 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 -0.260 -0.076 2.399 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 -11.577 9.602 -2.553 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 0.424 -5.863 11.842 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 -0.831 -1.066 2.795 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 -0.788 -7.848 3.844 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 6.573 -5.088 -3.666 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 1.142 -4.711 1.234 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 4.330 15.893 -18.112 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 3.330 6.648 -9.138 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 0.640 0.915 -1.624 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 2.416 38.496 23.105 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 -12.369 14.732 -5.679 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 1.910 -0.618 3.623 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 12.812 2.939 4.031 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 -8.544 -3.576 3.273 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 1.678 5.968 3.224 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 3.786 11.398 5.248 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 -5.034 -8.944 -6.075 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 10.001 0.730 0.802 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 18.812 -4.926 10.236 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 7.561 -3.473 0.597 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 -4.628 -2.588 -2.874 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 2.054 -2.498 -1.234 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 -6.021 0.890 -5.119 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 -0.303 -2.820 4.472 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 18.424 14.164 10.414 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 4.689 4.869 4.053 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 -3.001 -2.503 -2.787 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 -9.269 1.519 -3.734 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 9.715 2.231 -0.798 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 -0.644 2.313 -0.255 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 1.693 -15.729 -24.761 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 0.623 13.691 10.598 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 5.997 -0.183 -9.720 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 13.964 7.060 -1.947 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 -4.254 -4.306 0.343 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 -4.037 -2.945 -1.893 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 11.166 3.247 -1.163 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 15.111 6.636 -11.471 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 -1.256 -8.998 -1.317 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 -1.376 -9.512 9.921 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 11.228 -26.005 -9.470 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 4.334 3.395 2.697 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 -5.652 18.026 0.902 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 1.310 8.810 6.682 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 1.969 -0.228 -3.884 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 5.640 11.339 19.810 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 -1.550 -5.462 -8.994 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 -8.277 3.871 -1.655 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 -3.143 8.257 1.556 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 -3.476 2.192 1.605 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 0.150 -3.637 2.028 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 11.641 -6.741 -21.227 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 10.206 15.760 -2.208 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 3.895 2.180 0.587 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 -1.018 4.386 -15.404 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 1.904 -17.813 7.432 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 5.686 2.215 2.437 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 15.580 15.246 6.831 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 -6.476 4.369 14.454 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 -6.766 2.796 4.179 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 2.710 12.751 6.958 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 -5.268 4.434 7.658 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 -2.908 -1.362 2.268 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 -1.932 9.658 1.579 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 -18.825 14.588 12.416 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 1.991 -5.646 -2.281 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 1.711 -5.844 -2.529 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 -4.010 -10.915 1.313 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 0.013 -2.207 2.411 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 0.982 -2.825 -1.229 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 2.557 15.869 -11.282 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 -1.438 -0.720 -3.471 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 1.134 5.082 -11.382 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 -9.888 3.697 -2.162 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 3.504 6.567 0.503 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 1.000 10.763 -11.669 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 -6.643 5.313 -16.881 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 4.053 0.148 -7.285 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 -7.646 -7.013 -26.343 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 -17.560 10.799 -20.784 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 0.895 -1.817 1.486 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 -15.152 -8.510 1.869 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 -32.281 0.758 6.554 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 4.697 0.373 1.127 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 22.488 -6.873 -11.516 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 13.105 -10.782 17.111 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 -2.300 -1.354 2.804 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 -9.668 -9.041 6.616 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 4.085 6.457 -2.739 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 0.913 2.192 0.723 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 -6.538 -0.749 -6.779 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 -0.445 8.396 -0.954 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 0.121 -3.564 6.091 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 15.731 5.215 5.115 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 -8.208 -3.369 5.449 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 -2.709 -2.334 -4.593 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 11.255 5.567 -17.157 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 15.859 -11.027 10.931 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 -7.652 8.943 0.642 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 -18.721 -2.117 16.848 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 -3.653 30.145 -1.081 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 -0.217 -0.041 -6.388 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 5.654 0.495 -1.114 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 7.721 4.866 -16.389 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 -3.878 3.071 -0.630 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 5.217 16.630 -8.181 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 -11.330 -8.380 -15.353 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -6.277 -8.885 0.540 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 -20.512 -20.667 20.281 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 -12.936 1.041 -22.894 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -0.506 0.123 -1.988 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 -26.140 17.225 -29.179 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 26.392 -19.158 14.216 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 4.322 2.250 3.302 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 -4.687 -15.787 -2.090 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 10.887 23.263 -16.813 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 -0.911 2.471 4.840 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 -1.069 -19.179 40.586 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 2.994 9.950 5.439 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 -5.553 -6.749 -3.298 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 4.079 -19.537 -3.715 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 11.114 28.738 1.251 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 -2.405 1.145 7.551 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 5.063 12.578 17.979 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 -5.532 -7.137 -7.189 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 0.516 -3.908 3.583 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 -14.609 -1.447 0.641 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 21.310 2.295 -0.620 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 6.416 2.332 -3.608 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 3.235 17.961 11.251 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 3.360 -14.486 -11.746 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 0.989 -0.193 -1.754 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 -0.977 4.556 0.398 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 -3.389 -2.530 -5.055 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 -0.728 -1.681 -0.051 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 -5.078 8.668 17.895 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 -0.910 0.105 2.602 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 -2.887 5.281 -6.369 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 -6.128 13.955 -1.732 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 4.324 8.826 -15.558 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 0.073 0.897 -2.274 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 -14.620 -7.807 -11.004 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 -2.676 19.451 -8.506 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 4.552 -3.473 5.710 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 -21.404 8.613 -9.560 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 -14.589 1.283 -8.154 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 -2.435 -1.450 2.525 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 -20.824 -10.695 -15.459 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 11.404 3.923 -12.229 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 2.463 -1.482 -1.291 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 3.278 -11.019 -11.586 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 7.602 -10.729 -6.864 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 0.750 4.267 -4.359 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 10.219 20.021 -19.230 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 -20.172 8.140 -17.218 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 -4.781 1.759 -5.810 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 18.542 15.638 -5.528 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 -4.381 -5.140 6.941 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 2.253 5.268 -3.386 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 6.739 3.953 -5.089 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 28.266 -1.031 -4.091 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 0.816 -3.622 -3.042 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 6.309 19.459 -6.430 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 -0.417 -1.813 16.027 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 2.372 -7.842 5.264 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 -0.353 -6.787 4.587 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 -5.000 -8.283 2.035 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 0.959 -1.226 -0.020 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 15.325 -27.555 -12.670 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 4.082 -1.475 -8.860 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 -0.958 -3.183 4.882 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 3.137 -0.437 9.460 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 -0.191 -9.466 7.542 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 -8.628 -4.490 -0.582 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 -14.297 2.728 4.146 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 2.013 -1.095 -0.071 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 -0.874 0.413 -1.411 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 -6.537 -2.442 3.682 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 -3.168 -0.114 1.120 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 -3.608 1.054 2.549 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 2.914 -10.595 -4.149 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 0.044 -2.877 17.575 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 0.196 -2.747 1.892 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 9.995 5.679 20.815 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 -10.815 -1.544 8.578 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 -0.704 -1.959 -7.546 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 -2.431 24.659 -11.736 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 -0.048 -10.309 13.218 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 2.978 1.733 7.999 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 13.277 -6.505 -5.096 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 -10.465 -11.900 12.428 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 -3.249 -5.471 3.207 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -3.343 -5.943 17.270 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 16.758 -0.059 17.464 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 4.398 -3.324 3.338 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 9.057 -12.607 7.642 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 9.571 9.350 -3.990 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 -3.141 -2.735 0.636 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 -7.234 10.100 -2.455 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 0.207 3.303 2.281 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 0.942 -5.713 -5.216 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 -5.530 -20.808 -1.523 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 11.014 -8.919 0.646 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 2.597 1.237 -0.234 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 -13.164 -11.729 4.816 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 -7.067 19.211 -7.384 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 -0.656 2.035 -0.756 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 19.658 -14.461 -1.654 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 22.879 3.985 0.276 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 -2.038 1.822 2.796 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 -6.686 0.051 2.336 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 0.135 -2.155 0.336 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 -0.403 5.689 -0.845 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 3.447 1.295 -19.595 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 -8.875 -9.494 28.950 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 -0.944 0.506 -4.253 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 8.177 18.138 -11.229 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 12.110 15.912 1.700 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 -6.610 2.083 2.854 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 31.537 16.983 21.272 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 8.237 -6.668 -17.377 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 2.874 1.022 3.910 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 1.940 -5.632 1.524 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 3.952 8.403 15.104 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 -3.552 -2.223 2.011 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 -2.645 0.943 1.209 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 -5.552 -4.793 -2.657 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 3.362 -3.861 -3.834 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 11.458 13.947 -14.377 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 2.175 9.264 -7.879 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 1.120 -8.534 -0.051 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 7.319 -6.263 0.595 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 2.649 -17.129 -9.372 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 -2.791 0.240 0.252 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 -2.097 10.732 -10.676 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 -2.255 8.313 -8.075 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 3.558 5.482 -0.254 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 -32.556 1.049 -0.954 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 -1.638 -9.280 4.311 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 -4.188 -4.704 -5.739 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 -22.541 -2.407 7.817 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 -13.871 -1.855 -23.658 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 4.215 -1.972 1.873 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 4.461 -11.795 -4.233 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 0.015 18.683 15.391 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 -2.891 -2.445 -1.116 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 -16.211 -0.716 -0.645 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 -21.978 3.689 -12.061 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 -4.626 -1.068 3.400 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 4.899 -11.687 27.428 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 -1.558 27.497 13.958 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 -5.869 1.469 0.224 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 -7.005 -7.730 51.676 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 -7.324 -7.158 13.504 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 6.646 -1.176 3.853 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 8.888 2.382 -3.624 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 2.279 -0.130 5.870 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 -3.136 1.518 -2.037 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 6.766 2.468 -1.863 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 24.870 10.609 10.671 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 -8.582 -3.303 -3.510 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 -28.513 3.883 7.788 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 16.367 3.348 -11.029 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 1.371 5.386 3.578 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 -2.038 -15.505 -9.364 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 -1.780 -16.051 -6.821 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 -0.389 1.397 -6.856 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 0.202 9.496 -5.986 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 -2.617 -5.091 1.476 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 -4.293 -9.587 3.741 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 8.654 -2.259 7.079 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 7.737 10.033 9.251 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 2.665 1.938 -2.039 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 -7.673 2.132 -6.750 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 8.316 -8.166 8.405 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 6.633 4.547 0.488 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 -2.929 -4.748 -13.611 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 -6.550 5.316 18.276 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 -0.005 -0.851 0.234 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 0.219 -3.040 -2.313 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 3.919 12.091 2.799 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 -4.736 1.281 0.710 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 3.620 -4.332 -0.863 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 -3.560 9.183 15.709 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 -0.971 -1.582 3.194 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 -6.835 -2.106 0.851 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 -27.435 14.060 3.973 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 -2.998 -4.100 -0.341 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 27.668 -9.329 4.160 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 -30.749 11.332 -2.090 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 -0.428 -0.639 6.688 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 -1.532 44.594 14.068 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 -24.811 12.651 -4.965 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 -1.096 0.946 -0.265 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 2.114 11.076 0.639 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 -6.478 25.004 1.264 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 2.010 -5.135 -2.997 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 9.635 6.571 2.180 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 9.497 4.956 -13.143 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 0.892 -1.566 -9.447 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 1.227 4.170 -14.432 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 5.972 0.803 -4.044 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 -0.883 7.007 -3.543 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 -6.626 -12.437 -6.236 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 -34.083 9.898 9.638 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 -0.310 -1.653 2.113 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 0.036 5.652 -14.471 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 1.260 -4.407 21.302 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 -3.980 -7.023 -6.533 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 -4.150 -3.728 27.703 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 -5.613 -0.585 -21.039 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 -5.351 -2.914 -3.691 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 -2.963 3.566 -6.348 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 -10.737 5.183 -2.846 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 0.128 -0.545 5.172 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 3.033 4.381 7.400 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 -3.755 -1.024 5.963 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 5.032 2.377 -0.028 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 13.975 2.315 -9.335 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 -24.758 -28.615 27.016 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 4.405 -1.016 -0.713 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 17.155 -29.061 13.410 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 13.132 2.373 -4.987 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 -2.145 2.673 0.535 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 5.194 6.015 9.168 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 -0.566 1.814 15.278 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 -1.516 -3.363 8.676 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 -9.563 -26.146 17.105 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 -6.395 17.080 -0.764 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 -3.626 -0.535 -4.831 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -2.943 2.702 -1.624 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 -17.844 10.496 -3.990 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 0.934 3.853 -0.524 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 -18.435 -11.245 -34.967 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 -11.422 -8.679 -5.871 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 -1.842 5.579 2.198 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 -3.033 -13.012 -4.005 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 -18.070 -11.344 9.181 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 7.534 -0.473 3.659 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 7.946 -19.054 37.394 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 17.067 3.335 7.033 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 -7.125 -7.798 0.652 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 -19.502 -29.145 -23.635 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 -13.220 56.513 8.011 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 -3.273 0.496 -7.509 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 1.338 -6.351 -2.467 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 -2.420 7.935 -2.329 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 7.614 4.205 -4.856 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 -8.844 -8.864 -6.557 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 8.748 24.213 -1.403 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 -4.596 2.567 3.153 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 -2.466 0.840 7.961 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 -11.014 8.853 -12.811 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 5.134 0.007 2.663 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 7.040 11.761 1.959 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 3.238 -4.688 5.263 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 0.043 -6.376 0.428 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 13.679 2.457 3.990 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 -7.816 -11.767 -24.384 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 0.007 2.930 -3.294 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 0.517 5.359 -3.103 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 -11.224 -0.354 -1.819 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 -2.481 1.403 -8.111 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 16.715 14.723 2.463 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 7.008 -20.790 -12.618 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 0.654 -0.494 -0.928 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 1.793 -4.666 5.797 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 -11.128 19.330 -30.347 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 -5.610 0.483 2.445 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 -4.977 17.269 41.209 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 0.242 2.459 -1.468 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 4.125 0.833 -3.724 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 5.868 3.277 -2.070 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 12.832 5.729 -7.020 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 5.807 -1.116 3.105 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 -7.557 -5.563 -10.650 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 12.537 6.856 8.763 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 1.528 -1.767 -5.372 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 6.451 -12.081 2.367 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 3.784 -19.548 -10.891 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 -1.855 3.539 -2.306 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 -3.717 -50.274 7.468 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 -3.561 -9.847 -24.605 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 0.436 1.594 -4.431 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 8.285 1.904 -13.590 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 1.140 -5.195 -1.411 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 -4.207 -2.854 2.376 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 4.882 -5.433 -13.999 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 -2.166 -4.113 -7.016 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 -11.147 3.362 -5.105 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 -7.195 -0.891 -3.788 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 -19.221 5.739 -13.026 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 6.663 -5.576 2.155 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 -1.687 -15.059 4.615 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 6.095 -7.508 -11.351 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 -5.726 5.471 1.659 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 -1.134 7.378 -5.629 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 -21.950 16.054 5.329 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 0.774 -2.792 2.207 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 -1.077 -11.641 7.397 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 7.505 9.628 2.320 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 5.220 2.824 4.737 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 31.458 9.818 0.885 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 22.273 20.029 6.292 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 0.705 1.070 -3.544 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 -12.032 3.024 8.222 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 5.764 -24.101 -10.501 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -14.247 -3.083 1.963 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 -24.724 -4.714 -3.346 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 -20.558 -3.202 -3.296 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 -0.240 7.133 4.033 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 1.107 22.933 1.003 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 17.712 6.258 5.912 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 -3.560 -0.820 -0.946 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 3.313 4.100 0.997 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 -9.335 2.366 2.179 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 -2.065 2.411 1.417 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 6.873 -41.663 -4.276 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 -8.874 15.732 -13.231 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 0.346 0.322 5.938 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 4.196 0.534 7.693 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 -9.973 -10.352 0.492 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 -2.860 -0.820 -4.534 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 6.346 18.973 -10.491 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 -12.802 -5.577 -8.865 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 6.198 1.671 -2.590 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 17.247 -3.381 -20.304 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 2.349 -17.610 7.614 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 0.484 1.962 8.478 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 -2.679 8.574 3.017 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 -5.077 4.074 15.208 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 6.674 0.123 0.201 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 6.228 -8.592 -2.063 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 6.062 4.694 1.603 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 -7.229 9.327 -4.324 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 -1.044 -8.687 -14.849 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 -18.568 5.789 8.748 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 -2.035 8.409 3.577 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 -1.962 11.916 -10.852 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 5.883 -5.385 12.257 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 4.308 2.265 -0.726 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 -3.600 9.525 12.753 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 14.952 0.018 -10.110 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 -3.834 -4.740 -0.886 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 1.989 -2.049 0.492 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 -13.542 -5.446 -8.001 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 -2.514 -1.361 -0.894 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 -3.533 -4.561 -1.361 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 -7.987 2.798 -5.184 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 9.008 2.414 -6.435 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 -6.116 -20.277 -3.621 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 21.597 18.665 11.767 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 0.642 1.056 -1.733 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 -12.086 -14.417 3.732 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 -0.033 -10.255 -5.080 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 0.973 2.758 0.531 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 1.918 6.192 0.740 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 -8.422 3.046 -8.148 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 -0.613 3.673 -1.695 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 15.295 13.602 -9.223 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 -12.812 6.946 -10.850 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 0.445 -2.343 1.966 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 3.631 1.462 -4.508 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 -9.451 -5.104 -4.446 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 7.232 3.215 -0.745 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 14.355 -1.670 2.940 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 16.263 11.659 -11.778 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 3.020 0.562 2.922 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 1.576 -14.284 1.522 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 -10.799 -3.729 4.257 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 2.095 3.048 -0.990 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 10.204 -11.323 -10.565 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 7.277 8.621 4.484 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 -2.783 0.977 -0.339 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 -4.737 5.463 -12.562 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 -4.399 -1.892 7.927 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 9.159 -0.498 -1.859 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 -14.590 -18.276 10.212 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 -0.472 18.732 -15.542 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 -3.221 -0.644 4.314 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 -25.495 3.012 -3.931 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 -1.756 10.154 -7.074 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 -0.329 -1.185 1.072 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 -3.932 -0.583 3.781 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 1.044 -0.411 -5.195 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 2.231 3.024 -6.732 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 -9.182 12.378 -11.445 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 22.975 -5.201 -3.026 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 5.421 0.910 -2.063 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 -6.671 -5.504 -11.926 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 -1.685 11.903 -0.511 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 -2.192 -1.691 -2.613 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 -8.366 -1.111 6.342 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 5.110 -1.766 -6.126 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 6.483 0.873 0.882 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 18.316 15.416 15.894 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 11.368 11.313 -3.049 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 1.479 2.072 0.096 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 -9.201 4.863 -0.163 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 3.106 -0.961 -7.723 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 -2.705 -1.126 -0.947 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 -6.805 -22.786 10.010 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 21.632 7.574 9.899 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 -1.648 -3.763 7.753 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 9.576 1.839 8.430 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 13.109 15.239 12.558 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 6.391 -6.239 2.584 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 -8.975 -8.058 -3.640 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 22.787 -11.098 -2.501 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 -1.751 -1.463 0.918 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 -4.319 -16.255 17.095 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 -2.115 20.963 7.596 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 -0.798 -4.238 -3.229 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 6.324 -12.344 -7.093 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 -5.853 10.465 2.936 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 -4.351 3.637 -5.396 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -10.517 -2.363 0.715 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 2.860 -5.950 -13.124 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 -2.978 -2.457 0.642 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -2.520 -2.199 0.566 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 -3.852 -3.241 0.849 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 -2.888 -0.556 -1.807 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 4.509 0.499 -2.353 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 -3.914 -6.154 -4.905 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 -2.640 -0.759 -2.108 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 11.152 7.957 -26.843 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 18.542 8.597 -23.989 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 4.736 4.500 4.303 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 4.809 -0.492 5.521 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 8.279 29.762 15.085 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 4.004 -9.723 -0.427 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 11.590 -1.535 -2.195 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 -9.491 0.910 -0.256 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 -1.614 3.390 -1.206 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 -0.639 16.566 -1.909 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 -2.021 0.604 -6.304 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 5.108 5.898 1.611 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 11.773 3.626 15.698 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 -5.643 8.367 -27.887 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 3.080 -2.341 4.706 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 -4.357 22.598 9.500 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 6.924 -5.166 -12.606 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 0.199 -3.122 3.743 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 10.009 19.364 -17.806 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 -6.220 -7.979 12.041 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 -4.367 -3.254 -1.111 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 -16.644 -5.061 -11.417 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 5.806 -1.656 9.471 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 -5.357 -3.663 -1.975 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 16.174 -5.074 20.503 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 -8.285 6.743 2.042 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 -1.940 -1.890 4.523 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 -28.693 0.993 2.973 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 7.499 -25.249 -25.756 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 5.456 3.148 -5.031 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 4.593 -6.961 -10.103 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 -3.543 0.785 15.061 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 6.124 0.332 -3.300 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 0.109 -18.691 -2.760 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 4.659 20.700 -2.820 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 0.952 1.931 -3.022 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 3.357 -0.166 1.014 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 -2.215 -2.089 -4.543 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 -7.295 -4.530 2.060 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 -7.319 2.394 6.293 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -16.554 -14.474 26.606 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 5.971 0.424 3.600 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 17.303 -27.437 31.377 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 6.238 -1.025 5.265 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 -1.630 -4.304 0.395 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 9.045 -4.704 -0.313 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 -10.685 -14.345 12.569 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 -4.010 3.428 0.084 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 -1.195 12.493 10.066 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 -16.629 -0.552 4.864 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 5.413 -1.738 2.085 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 23.349 11.615 35.222 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 14.013 22.731 -21.005 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 -4.199 7.057 -0.811 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 4.470 -11.192 -11.250 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 -9.474 16.171 -18.856 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 -0.741 -0.535 -2.879 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 -10.565 -24.257 -2.797 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 -13.567 -10.059 13.466 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 7.455 0.474 -4.996 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 4.597 12.393 -36.675 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 8.065 0.586 2.316 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 2.634 3.123 -0.701 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 7.048 7.476 2.434 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 -1.240 5.127 -11.209 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 -0.683 9.396 4.832 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 -1.820 2.944 -4.664 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 -5.015 -7.436 7.887 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 -3.116 2.129 4.641 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 -8.686 -1.583 38.430 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 31.025 30.917 8.281 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 4.720 -0.072 -4.964 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 0.510 -5.733 -12.913 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 15.285 6.251 -2.696 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 1.537 5.047 0.648 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 4.365 21.623 13.652 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 20.759 -12.967 -4.729 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 -8.250 -6.747 -3.833 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 11.023 -13.416 -8.224 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 -11.138 -5.954 -3.216 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 5.325 -2.106 1.166 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 7.937 12.994 -5.202 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 14.678 23.561 -3.722 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 -4.221 1.455 -2.592 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 -18.469 2.113 -16.640 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 -11.382 -11.301 11.883 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 0.685 1.273 0.921 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 -18.276 -0.703 -12.938 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 10.297 -21.595 2.784 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 0.982 -9.452 -0.985 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 -3.275 -2.506 0.203 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 -8.748 5.270 -0.612 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 -5.752 10.527 4.487 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 -16.739 12.779 6.188 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 -11.098 -12.137 0.266 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 -2.448 -6.694 -0.531 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 1.526 -6.511 -0.847 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 -18.315 -5.548 4.250 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 1.801 5.666 9.171 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 -9.626 -18.108 10.605 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 2.028 -4.730 8.162 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 -3.601 -0.260 -4.384 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 -10.445 4.679 -5.440 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 5.471 14.201 -4.460 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 1.305 -2.452 -0.599 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 -8.940 -1.930 4.753 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 12.788 13.777 0.216 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 -3.222 2.664 3.720 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 -18.533 -11.794 -2.067 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 2.760 7.488 6.064 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 -5.758 -5.476 1.548 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 -9.713 9.752 4.801 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 8.725 -6.407 4.770 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 8.628 4.349 -3.978 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 11.559 -19.575 -24.526 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 12.439 19.670 -19.366 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 8.713 8.391 5.287 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 6.567 -15.712 -8.632 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 7.388 3.355 2.313 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 0.203 -2.739 5.150 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -22.982 15.616 -13.486 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 -14.027 -23.130 -5.179 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 3.144 1.539 -0.458 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 -6.041 8.207 -1.884 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 7.815 1.422 -6.186 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 2.978 3.369 -2.359 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 -2.784 -4.817 -1.274 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 1.070 7.466 -10.377 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 3.201 2.901 -2.261 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 -7.329 -2.404 -11.946 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 5.943 12.545 0.241 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 -2.031 -1.102 -1.541 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 -11.540 3.612 6.707 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 2.682 -9.148 1.432 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 -3.595 6.437 -2.727 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 -33.414 0.474 -2.304 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 -7.312 -11.394 1.543 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 -2.408 1.670 -5.828 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 0.473 1.647 -7.157 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 -4.269 -2.961 -7.437 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 1.371 -13.814 -4.075 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 10.471 -24.646 -17.000 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 -2.152 -7.636 1.169 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 -1.425 0.764 5.148 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 -14.594 -13.777 40.666 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 -22.804 36.445 -1.028 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 -0.371 -3.880 3.553 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 14.108 4.252 5.839 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 -0.006 -3.064 -6.127 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 1.440 -0.381 -6.832 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 10.296 2.270 2.393 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 14.537 25.393 -1.615 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 -1.791 -1.840 -2.212 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 15.617 -9.846 -14.384 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 5.503 4.273 17.431 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 9.488 0.122 -6.295 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 17.548 -1.978 -6.075 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 -8.565 12.287 -3.948 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 1.932 1.948 -6.877 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 -5.097 15.532 0.878 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 -27.390 23.751 -2.800 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 1.605 -2.611 1.761 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 2.888 1.100 -3.603 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 5.606 -3.969 -1.306 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 1.678 -2.675 1.129 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 -2.303 -1.616 -1.575 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 2.378 -3.423 1.407 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 0.540 -3.681 4.651 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 7.056 -17.990 16.628 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 1.458 6.078 6.116 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 6.731 -3.484 -6.772 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 0.360 -29.786 27.828 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 -9.348 -0.457 16.281 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -8.636 -2.850 -3.962 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 -6.210 -14.509 1.538 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 -2.635 16.160 -7.179 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 -3.362 2.524 1.513 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 -0.679 2.476 0.116 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 -5.505 -1.208 0.850 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 -7.414 -0.704 -5.757 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -12.380 3.493 -11.140 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 5.914 -8.254 3.712 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 0.439 -2.070 0.792 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 -3.199 0.801 -5.736 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 1.117 19.441 1.599 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 0.858 2.739 4.356 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 8.880 5.219 -26.196 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 20.379 -7.106 10.520 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 7.646 4.225 -5.480 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 12.317 18.253 -8.584 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 3.527 -15.449 0.909 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 -4.204 2.465 3.812 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 -3.700 -9.487 1.845 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 -4.312 0.974 3.247 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 -0.102 -0.397 -2.591 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 -0.993 -19.634 0.872 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 7.443 -3.138 -3.357 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 3.081 -1.053 -2.707 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 -5.836 -9.202 -7.019 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 7.188 -0.127 -1.861 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 -1.328 -1.686 7.675 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 -8.322 8.039 -2.741 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 -10.378 13.703 -24.475 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 -6.257 -3.256 -1.626 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 -1.172 -13.296 -21.712 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 -2.732 0.092 8.697 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 3.290 -6.898 -1.811 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 -0.972 15.491 -17.015 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 -19.880 -0.817 10.531 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 -5.088 3.352 -3.914 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 -10.192 0.807 -0.632 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 -21.365 -12.531 2.332 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 1.850 -0.287 2.106 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 4.198 -1.748 2.636 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 2.402 -1.271 5.450 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 5.356 -1.397 2.904 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 4.950 -2.992 -5.969 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 -7.629 -28.354 12.197 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 -5.999 5.274 5.799 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 -24.515 4.636 5.694 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 12.631 13.028 -11.909 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 6.225 0.116 2.091 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 -1.983 4.664 -0.086 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 7.788 11.919 -1.960 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 2.039 0.282 0.321 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 7.664 22.297 -29.881 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 5.419 -8.274 1.742 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 -2.198 -1.033 -7.830 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 6.240 2.641 -1.947 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 -12.275 -13.031 -12.761 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 2.630 0.257 1.607 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 -9.728 38.645 -5.154 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 -7.823 16.654 -33.788 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 -8.861 3.676 -1.507 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 -14.346 1.210 -4.201 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 -11.891 11.940 0.210 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 -4.626 -0.149 -4.351 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 -17.952 -1.683 13.844 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 1.416 -9.241 -16.350 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 -2.414 -1.167 -4.165 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 -11.026 -0.255 -8.564 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 5.460 -2.095 4.217 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 -2.774 -2.499 1.174 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 -0.995 -3.909 1.723 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 -1.800 -12.968 2.678 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 0.822 3.187 -3.138 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 2.345 0.196 -3.019 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 -5.833 7.113 0.655 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 0.988 -1.824 -1.892 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 4.473 8.536 -1.089 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 3.240 6.819 0.475 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 2.180 8.340 1.066 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 5.818 27.774 -11.593 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 -8.294 -14.998 14.856 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 0.568 -2.053 -1.876 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 -3.438 -9.683 0.662 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 6.834 -0.640 5.897 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 -4.534 2.485 -2.737 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 -1.945 9.777 -18.761 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 4.603 7.398 5.474 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 6.184 -2.079 2.338 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 3.612 -22.445 -17.505 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 5.619 2.656 3.939 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 -6.678 -6.439 -6.137 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 -21.700 -5.534 -8.623 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 0.657 -5.761 -22.714 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 -2.885 0.975 -1.019 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 -7.171 12.403 -30.745 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 11.911 6.314 7.615 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 0.500 5.590 -5.918 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 12.025 -21.518 1.293 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 13.740 -6.056 4.288 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 -1.112 3.594 -2.719 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 -9.696 2.768 1.813 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 19.947 16.424 -9.051 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 -1.164 -2.044 4.695 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 12.923 7.196 15.939 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 -4.664 5.186 -6.701 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 -6.186 12.439 0.636 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 -7.258 -0.323 22.135 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 -5.356 -14.197 -6.331 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 1.525 -3.970 -2.720 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 -1.042 3.415 14.614 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 -1.901 -0.386 10.175 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 7.207 -2.368 2.261 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 12.892 12.916 -9.765 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 4.066 11.625 10.026 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 5.621 -4.503 -9.704 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 -7.199 -18.317 1.760 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 12.803 -4.308 -6.993 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 -0.248 1.004 -2.939 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 4.311 15.516 -12.975 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 0.792 1.430 -1.640 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 -1.533 -7.408 4.908 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 2.971 -9.461 -1.571 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 3.727 -4.391 11.849 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 8.725 -2.079 -1.126 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 13.480 -11.042 8.494 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 4.702 13.193 -2.847 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 5.134 -0.058 -1.757 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 7.183 -5.967 1.421 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 2.032 10.291 -6.857 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 2.698 0.271 5.697 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 -3.684 3.158 -5.735 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 14.724 4.373 2.561 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 8.137 0.066 1.567 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 -4.423 9.984 0.311 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 24.608 9.888 -16.646 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 -5.549 1.400 1.872 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 -5.567 -2.994 -1.169 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 -9.532 13.051 8.468 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 -3.254 1.436 -2.653 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 -10.552 13.713 -5.208 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 -3.396 4.169 -13.246 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 3.337 0.222 -3.462 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 8.614 13.493 7.639 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 3.591 -1.126 -6.753 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 5.153 -12.300 1.321 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 -2.153 13.362 -4.133 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 25.875 -8.271 -9.315 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 -6.005 3.571 -4.504 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 -17.072 15.115 -6.247 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 -0.812 9.611 5.672 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 -5.441 -3.465 2.796 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 -7.020 22.937 -0.932 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 -5.237 -16.520 -0.556 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 -3.949 6.932 2.718 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 -1.629 5.177 4.472 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 -12.408 9.279 4.450 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 -1.829 3.431 5.620 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 4.145 2.084 24.302 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 10.927 4.818 -4.248 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 -1.217 -5.183 2.459 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 12.638 -6.740 7.111 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 -23.066 -3.394 0.051 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 3.182 2.230 4.379 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 8.888 -6.681 4.238 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 25.019 -7.973 -4.835 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 1.245 -1.665 0.169 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 -22.724 12.872 -10.474 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 13.789 9.259 10.433 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 -6.830 -0.454 3.137 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 -33.070 -11.636 -1.545 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 -9.925 -2.006 2.896 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 -3.348 0.109 -5.872 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 11.144 10.537 1.628 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 -17.031 4.489 9.432 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 -3.207 -2.887 7.500 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 -4.678 -7.506 8.516 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 -2.958 -4.675 -13.197 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 0.932 5.127 -2.366 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 3.778 8.852 -10.286 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 -10.623 -13.202 2.098 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 -2.283 -1.175 1.221 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 2.896 6.172 1.798 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 -1.976 2.456 -0.365 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 6.484 -4.566 2.414 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 4.602 1.838 -6.137 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 4.858 -2.328 0.887 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 0.918 -2.528 -3.600 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 0.601 -3.186 -4.176 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 17.029 14.030 -10.966 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 -3.588 2.493 2.638 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 -1.821 -10.056 -9.628 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 -21.054 3.881 4.422 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 0.919 -4.851 -5.878 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 -8.476 -13.645 -0.351 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 -3.776 -18.322 -9.790 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 -11.206 0.871 -1.370 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 -23.936 2.504 6.121 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 -5.610 -0.451 -5.174 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 -3.591 -3.908 0.652 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 -7.021 -2.666 0.511 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 -7.217 14.964 0.261 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 1.289 8.801 -4.681 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 12.859 -20.468 11.476 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 -30.814 20.742 -23.146 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 0.675 -1.154 1.834 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 -20.137 -23.820 -16.068 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 27.162 -17.316 0.905 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 -0.718 -4.092 -5.147 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 -16.607 -2.136 13.886 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 18.442 -8.184 -29.703 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 0.771 -0.203 6.770 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 -2.998 8.289 22.186 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 6.914 -0.271 2.032 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 6.785 7.139 7.536 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 -14.659 -0.088 -22.586 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 -0.480 1.285 2.975 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 1.703 8.220 4.395 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 1.756 5.308 2.806 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 0.864 4.216 1.015 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 -1.293 -5.237 -2.292 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 -0.654 1.375 -0.370 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 4.156 0.899 4.584 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 -6.202 -2.652 -7.699 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 14.892 4.887 -6.427 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 -12.608 -0.099 6.336 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 -3.074 -2.946 5.964 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 -8.789 16.083 11.368 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 14.408 3.511 11.488 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 -4.025 -5.526 -4.732 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 -3.025 7.773 -5.644 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 -7.437 -28.627 12.768 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 -6.743 6.371 1.310 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 -13.467 8.146 2.107 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 3.135 14.584 2.623 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 -4.132 -6.176 3.981 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 10.357 9.985 10.374 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 -16.718 -23.850 -6.097 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 -2.759 3.454 1.466 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 -16.337 -24.607 6.433 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 -16.384 9.696 -6.199 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 3.128 4.877 -9.365 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 1.647 1.820 -8.538 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 -2.236 -5.873 4.145 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 -1.487 1.878 -7.019 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 8.760 13.620 -10.524 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 0.599 -11.589 3.376 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 -5.578 5.511 5.651 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 -9.015 0.597 29.188 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 -7.998 5.714 9.570 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 0.958 4.487 0.476 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 1.812 -0.379 -3.195 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 -0.598 -8.079 0.106 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 0.387 2.911 -1.932 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 -3.424 11.938 6.174 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 4.713 5.076 -5.037 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 9.957 -2.582 -0.043 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 23.543 14.334 -6.837 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 -1.244 1.183 -11.790 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 2.341 1.312 -1.677 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 -4.585 -28.614 6.013 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 9.728 -34.051 -0.976 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 0.169 4.104 -0.191 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 -14.920 12.632 33.844 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 -1.046 8.451 1.415 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 -4.222 1.084 -0.431 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 4.748 9.567 4.992 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 -13.877 -6.229 11.181 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 6.901 -0.425 9.999 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 15.578 -0.507 0.553 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 0.717 9.035 5.424 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 1.782 -4.545 -6.478 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 3.213 -5.808 24.763 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 -2.142 -1.040 18.866 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 -2.648 -1.552 1.533 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 -3.735 12.464 22.286 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 -12.595 5.195 -18.078 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 -5.169 5.897 -3.785 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 -3.418 9.795 0.558 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 -16.363 -13.047 11.612 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 -0.013 6.145 -0.991 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 21.607 -1.415 11.965 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 1.813 25.954 1.680 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 3.068 -4.190 0.253 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 -7.418 -1.577 17.304 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 6.957 -16.623 -20.306 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 4.664 -2.152 -8.269 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 12.933 -6.639 -1.130 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 6.244 10.383 -11.790 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 -2.169 2.760 2.059 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 9.790 -6.188 -7.373 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 -8.812 -3.301 9.648 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 0.844 -5.345 0.791 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 1.198 -7.967 2.126 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 6.204 15.127 -5.336 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 -2.260 1.964 -0.336 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 -8.409 -31.083 -0.155 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 -37.874 9.034 0.782 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 -7.431 2.298 -4.340 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 3.918 -6.880 -4.152 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 -9.127 8.351 4.285 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 3.202 4.940 3.006 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -4.208 8.500 -14.634 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 5.816 4.105 14.211 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 3.303 -0.712 -2.647 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 -21.493 0.009 -9.404 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 -3.892 2.221 21.793 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 6.566 2.976 1.656 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 6.909 -22.964 -1.802 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 -15.020 7.711 -10.328 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 -0.438 6.618 -2.207 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 -15.336 3.711 -3.066 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 1.284 -3.423 -3.671 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 1.489 2.863 5.115 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 -7.208 12.089 6.577 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 16.453 -12.585 4.001 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 -8.374 5.584 -2.545 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 -19.312 -24.966 14.445 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 -2.493 10.409 -24.909 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 -3.891 -2.398 3.657 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 -0.708 -17.707 16.130 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 6.962 6.985 -16.500 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 -8.043 -3.091 6.490 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 -8.121 -0.289 5.771 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 -8.597 -1.891 8.616 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 -7.872 1.549 -4.515 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 0.341 -7.541 -9.953 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 7.738 -14.429 -14.256 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 -4.886 1.777 0.724 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 -4.745 -9.471 -9.229 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 -12.560 -14.554 -14.582 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 5.777 -3.480 -0.255 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 9.373 -11.807 -5.114 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 -0.479 5.975 6.936 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 1.528 -3.114 1.685 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 1.955 -28.042 -24.687 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 2.284 0.807 5.948 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 7.958 -3.570 4.355 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 13.005 -0.290 5.350 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 6.908 -3.401 -12.315 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 -4.411 -2.004 -5.040 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 -1.691 0.397 -10.662 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 -8.159 13.506 -11.813 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 8.094 -2.638 2.912 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 5.451 12.673 -1.495 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 36.619 7.195 12.117 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 0.988 1.554 4.795 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 3.896 8.390 8.452 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 -4.342 12.219 13.473 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 3.431 0.030 2.011 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 15.465 -1.766 10.010 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 20.601 26.506 8.059 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 -0.661 -7.130 1.600 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 2.508 -10.952 -3.555 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 -7.597 -5.563 0.049 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 -5.426 1.968 -6.332 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 -17.789 4.427 -2.230 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 -7.039 -1.117 -17.785 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 -5.964 -2.946 -1.582 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 -3.083 2.903 14.602 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 2.355 8.269 -6.009 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 -1.061 -0.045 5.117 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 -1.346 -6.094 4.705 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 -1.968 1.832 -1.162 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 1.721 -1.851 5.544 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 16.988 -28.446 13.570 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 -0.744 9.181 -17.877 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 4.647 -9.860 2.523 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 6.885 -16.294 -4.947 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 3.131 -10.763 -12.884 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 -2.756 -1.031 -6.707 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 -2.885 7.062 2.912 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 -2.595 -10.081 -8.615 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 -3.383 -0.948 -1.773 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 -23.548 0.168 -2.432 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 3.153 1.358 -3.402 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 9.341 2.256 1.515 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 7.508 -2.470 -0.639 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 6.002 4.356 3.094 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 0.099 -1.328 -5.958 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 -5.624 0.376 -8.816 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 -2.734 -8.674 -4.099 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 -3.267 -1.460 -7.618 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 4.364 6.437 -9.009 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 1.094 -2.598 17.563 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 -1.975 0.513 -2.141 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 -4.816 1.370 -1.457 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 8.975 -4.660 -4.207 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 -5.710 -2.654 10.830 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 -6.313 9.826 9.711 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 -10.895 27.428 -34.488 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 5.201 5.572 -1.993 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 -25.666 7.815 1.193 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 15.639 18.684 16.954 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 -1.446 4.694 0.073 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 0.955 -5.458 2.806 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 -5.567 4.764 -0.322 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 -0.282 4.695 0.309 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 -8.927 -3.861 8.493 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 3.379 11.399 14.634 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 0.317 4.110 0.954 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 9.525 -22.988 -9.443 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 -2.152 15.607 5.599 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -7.119 -3.762 -7.645 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 16.001 17.681 -6.931 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 15.675 -9.442 14.709 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 -4.709 -2.526 4.384 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 -11.686 -3.909 21.070 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 12.346 -10.856 5.688 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 -0.340 4.438 0.768 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 -0.622 3.039 1.640 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 -4.662 3.241 0.608 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 -4.609 -3.380 1.095 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 18.032 -15.935 -18.186 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 -3.076 13.885 4.307 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 0.738 0.511 -4.804 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 -12.204 -12.600 -16.914 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 -0.682 8.153 5.590 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 5.131 2.104 1.448 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 10.955 -3.489 10.676 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 10.860 -1.279 -2.172 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 0.642 -1.566 -1.908 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 -0.628 -4.692 5.116 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 3.034 11.156 -4.978 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 0.698 -1.399 -0.060 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 12.732 -19.265 1.740 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 0.429 0.658 14.767 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 -3.591 -5.326 0.268 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 -13.941 -3.780 9.675 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 -12.828 -3.804 1.502 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 0.487 3.626 6.818 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 5.457 -1.463 4.567 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 25.823 -7.580 5.769 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 4.310 7.055 -3.100 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 11.252 -6.589 5.433 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 15.418 -12.812 -13.293 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 5.863 -2.505 0.998 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 -3.066 15.958 0.819 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 -1.350 10.005 1.788 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 -0.418 5.776 -6.818 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 9.381 15.072 -28.803 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 -4.377 25.014 5.411 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 -8.428 4.947 -2.031 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 7.926 15.820 18.667 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 8.239 12.260 12.606 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 0.930 0.596 0.491 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 5.294 9.780 -0.056 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -6.132 16.421 14.658 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 3.462 -5.956 5.919 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 -32.507 -0.687 8.406 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 16.718 0.261 32.021 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 -3.207 1.282 7.832 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 -1.141 -1.431 7.206 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 -16.988 15.951 5.411 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 -0.514 -0.097 -0.181 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 -19.290 4.443 -3.377 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 -8.012 -6.413 1.032 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 -4.111 7.733 0.340 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 3.536 -7.828 2.112 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 -20.752 13.143 6.056 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 5.403 5.034 1.347 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 6.206 36.813 7.361 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 -0.439 -29.820 -3.630 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 -2.869 5.532 4.533 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 8.417 6.688 4.071 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 -11.068 -14.535 12.077 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 -4.422 -3.424 6.823 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 13.595 -1.380 18.449 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 -2.541 -13.414 15.225 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 1.143 1.995 -5.434 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 11.447 -11.050 1.218 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 -26.260 -6.897 -5.007 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 -3.650 -2.743 2.016 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 -8.500 4.915 -0.371 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 -0.702 -6.582 -6.892 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 2.988 10.446 1.490 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 -16.989 -25.448 -10.979 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 -7.191 3.150 1.196 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 -0.259 2.156 -3.693 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 -0.062 0.302 -9.651 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 0.721 2.176 -5.115 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 3.008 -1.211 3.102 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 -1.809 -0.781 -3.189 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 5.113 -11.840 5.119 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 0.426 5.212 -1.467 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 7.627 -15.382 -5.894 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 -19.811 -10.038 -12.265 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 -3.510 1.847 -0.377 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 -22.121 14.701 6.335 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 7.183 -0.945 10.933 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 3.426 1.623 3.125 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 11.437 1.033 -3.121 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 -1.883 20.739 -5.201 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 -3.959 -0.792 -3.695 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 -5.264 -19.157 -5.618 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 11.564 1.650 -14.692 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 0.118 4.185 -1.318 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 -9.618 -11.577 12.823 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 -16.929 19.112 -9.221 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 -0.697 0.309 -3.693 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 -13.947 -5.043 -8.962 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 0.523 12.056 -12.228 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 0.291 2.598 1.660 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 -8.261 9.593 1.471 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 2.224 -0.176 11.924 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 -3.406 2.953 -3.334 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 -37.411 -3.814 -24.737 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 9.853 -22.244 10.346 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 -1.443 5.705 -0.780 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 9.396 2.934 -8.997 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 -13.432 13.716 2.160 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 -3.643 1.326 0.653 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 7.064 -5.866 7.963 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 -3.353 -2.152 26.404 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 -3.883 0.435 4.152 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 -11.447 6.893 1.298 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 -2.389 2.692 -5.318 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 -6.274 5.893 2.272 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 -9.895 4.109 6.341 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 -9.754 3.969 4.952 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 3.864 -1.572 -1.960 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 -1.062 -1.688 2.610 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 -0.085 -1.840 3.697 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 1.633 -4.771 1.180 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 -2.381 0.392 14.126 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 -10.465 -15.119 13.482 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 7.064 -8.494 -0.503 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 6.786 -9.459 -1.017 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 6.621 -9.783 -1.326 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 10.348 0.979 1.294 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 10.539 -1.593 0.697 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 7.224 2.293 1.154 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 -1.064 3.157 0.009 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 -1.555 6.249 0.410 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 -1.352 -6.314 1.388 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 -3.548 -1.996 5.055 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 13.040 3.636 10.276 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 -13.905 2.895 19.898 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 -3.922 -1.179 5.573 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 2.051 6.318 -0.647 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 -2.444 -5.549 -2.856 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 0.171 -1.077 4.555 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 14.285 -3.788 7.898 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 -0.503 -22.885 -27.669 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 2.333 -2.753 8.588 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 0.386 -9.921 -1.360 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 23.591 18.228 -6.011 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 2.737 -3.301 0.931 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 4.547 -3.359 -3.940 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 1.257 -2.680 16.911 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 -3.563 -3.463 -5.618 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 9.892 -2.774 14.595 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 -12.177 0.587 -18.575 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 0.622 5.979 -6.338 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 -7.742 -3.989 -15.376 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 1.939 7.234 -6.896 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 -3.220 2.664 -1.102 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 -1.503 -2.705 1.630 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 11.863 9.753 -6.249 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 4.820 1.691 10.537 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 -10.050 -10.239 2.148 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 14.130 -17.448 21.514 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 0.158 -0.900 -2.725 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 11.717 -4.621 1.035 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 -3.163 3.340 5.716 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 -0.188 1.136 -0.303 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 -6.495 -9.318 16.381 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 6.958 -15.342 -8.278 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 1.089 -0.334 -6.767 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 -15.103 8.015 -26.548 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 -9.533 4.026 14.133 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 -3.408 -4.039 -3.999 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 29.555 -12.833 -3.071 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 -5.186 -3.687 -5.322 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 -0.124 3.255 3.744 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 -10.930 10.838 3.259 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 -0.523 0.630 3.281 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 0.357 -7.000 4.165 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 -4.403 4.766 -14.968 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 23.670 6.797 5.147 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 -5.228 -6.778 -9.296 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 2.766 -19.429 -5.615 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 -7.757 -2.173 -13.895 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 -2.645 -7.382 1.818 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 -8.323 -15.205 -12.254 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 -20.692 0.136 -7.578 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 2.395 -3.174 -7.008 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 4.572 -3.178 -9.028 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 6.678 -4.109 -10.230 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 1.578 -1.121 -3.273 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 8.421 5.460 1.405 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 14.557 22.038 4.713 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 -1.792 -0.877 2.095 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 -8.281 24.647 -3.547 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 11.169 -21.379 10.884 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 1.204 -2.353 1.513 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 7.413 -0.896 2.111 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 -17.910 -3.108 2.961 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 -2.531 -5.940 -1.130 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 -5.841 -16.344 4.042 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 -1.174 -2.753 -4.696 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 3.991 2.986 2.845 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 28.358 3.242 39.509 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 8.556 16.854 6.651 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 -1.490 2.261 -1.972 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 -8.592 10.171 -6.316 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 -2.080 -3.199 -4.669 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 4.835 -3.797 -3.443 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 3.214 -3.277 -4.398 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 8.634 -7.417 -3.102 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 3.695 -1.639 3.597 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 10.870 -8.686 0.756 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 11.105 -2.522 3.052 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 -0.871 1.233 -6.087 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 -18.377 4.109 -24.230 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 17.221 5.400 0.293 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 1.288 -2.097 -2.372 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 6.716 -0.208 0.959 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 -0.591 3.690 -4.907 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 -0.347 -1.956 -2.459 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 8.868 2.736 -10.725 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 12.400 4.277 -20.140 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 -0.815 2.212 4.908 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 15.626 18.474 7.264 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 1.843 -0.817 -10.299 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 4.290 -4.488 4.598 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 8.753 -5.205 -5.269 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 5.997 -2.838 -2.177 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 -0.094 4.746 -6.024 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 -1.240 6.350 -5.404 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 1.030 1.458 -8.036 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 2.354 -5.189 2.296 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 -17.018 -0.258 -25.637 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 17.271 12.232 -10.633 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 2.501 5.690 2.642 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 -1.063 -4.640 6.039 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 11.583 8.335 -3.084 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 3.711 -4.277 5.259 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 -4.909 3.769 14.853 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 -1.667 2.700 4.014 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 1.070 6.305 5.050 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 0.623 3.975 -3.000 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 -7.802 -7.339 -14.661 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 2.214 3.022 0.386 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 13.845 18.307 8.622 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 9.915 8.773 -11.724 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 6.016 -6.290 -2.357 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 0.653 14.067 1.873 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 12.459 -22.751 -16.229 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 -3.632 1.900 -6.938 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 17.957 -6.474 -20.200 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 12.170 6.526 -18.718 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 4.496 4.938 -5.326 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 5.131 -8.721 24.952 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 3.386 -3.264 13.351 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 6.902 -1.831 -3.257 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 6.677 24.949 6.413 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 -2.587 1.843 2.236 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 4.028 2.633 1.618 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 -3.967 2.132 -8.168 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 4.568 -10.402 -8.138 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -3.742 7.050 1.081 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 -0.780 5.219 4.236 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 0.498 9.986 4.544 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 0.330 -4.170 2.879 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 -1.994 0.362 8.029 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 2.585 0.054 0.279 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 10.025 1.982 -0.301 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 13.472 0.349 -13.946 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 9.327 3.507 -10.740 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 6.319 0.025 -7.388 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 0.406 17.722 -2.336 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 0.536 -5.194 -18.551 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 0.416 -6.019 -3.833 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 -6.321 -12.961 -4.387 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 8.503 -11.291 23.721 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 -5.346 3.081 -0.045 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -7.296 -0.822 -22.200 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 -8.000 24.015 -13.500 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 0.029 0.247 3.294 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 7.372 -6.393 -7.780 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 16.047 -10.625 -18.240 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 0.898 -2.953 -6.085 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 -7.050 0.265 2.869 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 -7.002 2.874 -19.744 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 -1.325 -1.606 3.104 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 7.989 1.015 9.278 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 -3.838 1.711 -5.867 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 8.605 -0.573 2.559 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 7.364 -4.213 4.956 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 7.660 1.725 7.396 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 0.015 3.638 -2.953 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 -17.149 -7.041 -0.425 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 3.593 9.648 -2.800 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 3.116 -1.310 -0.105 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 -13.679 -26.329 10.433 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 -3.339 27.441 -13.105 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 0.526 -1.937 0.167 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 10.317 15.001 -6.872 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 -7.772 -15.073 6.231 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 -1.239 0.057 3.930 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 -10.461 -13.404 -4.320 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 -5.846 -3.888 -0.645 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 1.659 3.156 1.885 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 -5.278 22.831 -17.497 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 -9.612 -10.011 31.625 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 -1.568 5.817 -4.531 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 0.559 -3.956 -12.612 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 -13.891 16.746 13.170 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 0.488 0.428 2.804 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 8.971 17.000 -0.628 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 -8.828 0.134 -10.282 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 0.485 -2.972 -0.666 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 -5.043 -13.643 0.640 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 8.322 5.713 -0.487 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -1.727 0.187 -9.758 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 -10.594 -6.151 3.287 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 -3.594 -8.940 14.664 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 -0.593 2.425 4.855 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 -14.938 9.241 1.640 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 11.927 -8.170 3.489 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 -4.711 -4.814 -2.217 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 -8.198 -6.298 1.457 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 0.226 -7.408 17.309 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 -0.658 -5.474 5.919 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 7.721 -0.628 -13.128 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 -0.874 -0.213 1.651 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 7.941 -5.430 -3.715 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 -3.181 -1.850 -5.171 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 18.228 2.776 -17.812 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 -0.887 -1.537 3.218 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 -3.553 -18.752 -23.961 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 -20.595 24.762 1.604 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 2.800 3.606 -4.067 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 -1.701 -7.906 -10.383 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 -0.723 -1.809 -2.948 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 -2.353 -6.385 0.113 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 2.012 -7.904 9.475 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 -4.762 -22.610 -17.902 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 6.983 -3.422 -4.643 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 -8.042 14.216 12.956 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 -6.969 4.344 6.638 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 -4.841 0.316 -4.915 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 -12.775 8.347 -12.019 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 -1.387 -5.016 -10.657 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 2.647 -5.722 4.366 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 9.950 11.231 3.336 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 -9.655 -5.227 18.021 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -0.798 5.388 1.015 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 -3.486 3.092 3.668 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 -19.410 -19.223 -10.865 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 -6.682 0.551 4.177 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 -11.213 0.347 1.592 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 -11.023 -1.385 3.150 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 0.361 0.484 -0.984 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 -5.186 -16.659 8.714 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 -13.466 1.359 7.375 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 -1.460 1.625 7.285 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 7.617 -6.504 1.486 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 6.803 16.343 7.628 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 -0.627 6.988 3.201 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 -17.713 5.316 0.375 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 -5.748 -1.382 -2.119 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 2.491 -3.540 -0.352 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 8.114 3.803 -1.787 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 2.019 5.249 3.220 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 -0.615 0.023 4.057 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 10.834 -6.537 -10.437 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 9.032 13.442 -5.840 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 4.336 2.137 -6.816 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 10.790 6.304 8.247 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 -3.608 1.944 -8.534 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 1.358 7.084 -2.759 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 -3.931 8.181 -4.587 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 3.157 12.614 -1.121 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 0.324 -2.621 2.115 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 -3.285 -0.422 -3.796 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 9.793 7.880 8.929 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 0.334 -4.940 -0.482 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 20.878 15.801 -1.040 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 22.209 17.760 -1.252 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 1.717 2.296 -4.980 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 -15.377 -4.843 1.017 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 -9.953 6.008 -18.601 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 -1.971 -2.613 0.846 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 -1.848 -1.019 -12.097 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 -0.987 -14.089 -0.378 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 6.418 2.070 -6.491 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 7.125 -7.292 -0.585 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 9.016 -3.204 -6.242 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 0.071 2.446 1.211 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 14.296 -2.609 10.067 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 1.472 1.192 0.944 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 5.431 2.027 -1.135 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 -0.093 5.168 9.182 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 0.859 12.677 -4.346 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 3.170 -3.309 4.955 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 3.641 -6.449 8.573 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 -9.724 -16.579 -0.086 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 -2.626 -3.538 -3.606 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 22.708 3.418 -11.848 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 -7.399 15.117 2.637 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 -9.835 -3.296 -5.958 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 10.853 -35.729 15.783 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 12.512 -5.572 -0.274 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 -4.776 3.362 -0.194 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 -21.651 -18.598 -2.850 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 -24.271 6.244 -5.532 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 -2.224 -5.516 -9.167 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 4.974 -15.140 -10.428 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 -10.415 -2.714 -10.840 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 2.283 -4.998 -3.729 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 2.797 -12.886 -11.929 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 7.779 10.512 -16.849 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 -4.547 -7.546 0.532 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 15.836 -7.645 2.045 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 1.392 -6.671 -0.067 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 2.675 -1.036 -0.091 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 -12.638 -1.989 2.328 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 8.309 -9.391 9.566 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 -2.982 0.207 4.319 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 6.738 5.640 8.743 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 0.214 1.122 -6.604 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 4.442 -7.744 -3.002 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 -2.123 -33.507 -4.323 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 -7.849 -6.810 14.585 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 -1.374 3.904 -3.773 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 -13.446 2.149 8.560 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 -5.296 -2.114 -0.935 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 -0.567 -3.981 3.770 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 13.815 25.852 -18.726 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 11.756 25.414 18.769 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 5.556 2.002 -2.681 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 18.812 -2.682 -32.899 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 -1.853 5.819 5.911 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 4.539 -0.830 -5.566 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 2.224 0.788 -5.385 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 11.615 -3.293 -2.122 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 -0.866 -2.269 -4.402 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 0.840 0.222 -9.653 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 -9.801 1.046 1.126 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 2.426 -1.428 -4.262 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 27.013 11.845 20.742 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 22.664 -24.881 -26.657 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 5.004 -0.212 3.443 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 3.562 -2.298 -3.795 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 5.500 -0.373 5.384 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 9.345 -0.404 -0.471 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 18.013 28.346 -0.673 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 -14.610 5.941 3.376 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 3.960 -2.197 -5.260 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 -12.678 -8.815 13.989 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 -12.308 -16.729 4.848 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 4.167 -1.823 -5.038 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 22.745 -13.182 -9.283 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 -4.434 -16.234 -13.869 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -4.069 -1.645 -1.427 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 -11.126 -16.780 -16.281 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 24.273 14.258 -10.484 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 6.437 -1.593 2.134 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 5.906 30.049 33.036 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 0.817 12.324 7.467 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 -1.028 -1.002 -4.241 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -7.450 -20.223 -12.564 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 -15.009 4.251 10.858 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 -5.613 5.220 -2.512 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 12.324 19.942 0.590 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 -10.649 4.765 14.300 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 -0.947 -2.468 0.571 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 -4.464 4.001 -20.656 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 2.707 -9.288 13.420 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 -12.498 -1.436 0.656 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 -9.349 -12.073 -0.151 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 -6.332 -16.985 -19.001 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 -1.066 4.766 1.219 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 9.568 6.212 0.465 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 -0.519 11.596 12.220 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 -0.750 -0.851 -1.919 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 -11.778 -11.019 -4.071 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 -16.879 -8.314 8.353 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 2.693 -0.740 3.094 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 4.007 15.493 11.793 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 2.796 -2.639 1.183 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 5.347 0.987 1.532 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 14.745 -29.429 -23.054 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 14.372 7.320 18.760 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 -0.428 5.584 0.893 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 5.157 -8.041 24.163 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 -1.385 12.785 -8.116 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 -2.450 -0.562 -1.314 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 5.256 -3.534 -0.271 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 -11.117 10.854 3.415 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 -1.338 -5.538 2.158 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 13.884 -14.800 15.044 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 24.277 1.141 -4.508 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 -0.167 -4.579 6.431 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 4.302 -17.060 -16.666 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 0.755 15.430 14.127 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 -2.959 2.095 4.018 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 -8.683 -4.884 -5.691 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 5.993 8.457 7.093 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 -1.028 0.317 -3.653 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 -20.305 -4.274 -10.013 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 -0.649 2.509 17.026 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 -4.227 1.421 -0.260 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 15.752 8.334 2.593 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 -2.369 2.610 -3.394 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 -3.079 -5.313 1.046 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 2.918 -12.636 -3.889 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 -4.745 -8.388 -8.023 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 1.221 -2.391 1.572 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 -2.643 -4.618 -2.230 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 10.747 4.385 5.284 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 4.272 3.558 2.592 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 -12.666 4.679 5.261 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 16.441 -1.444 11.816 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 -3.264 1.008 0.407 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 -1.667 -3.538 4.355 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 -7.166 2.242 4.990 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 -0.820 2.723 10.239 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 -4.675 6.010 15.345 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 -0.488 9.889 28.013 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 0.053 -8.126 -4.091 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 10.960 -9.717 -12.526 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 2.511 -7.010 10.507 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 0.147 2.789 0.655 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 6.221 -14.335 7.513 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 -51.286 -30.030 5.898 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 -0.509 1.429 -9.865 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 7.075 -3.686 -4.093 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 -4.033 -8.074 -16.580 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 -1.028 -0.510 1.185 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 6.731 -17.602 8.983 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 -0.345 -9.559 7.419 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 -6.645 0.225 -0.540 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 10.124 6.009 11.128 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 -10.032 3.124 37.415 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 1.549 1.586 -1.770 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -3.419 -2.385 -14.577 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 1.085 11.865 -7.775 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 0.978 -2.182 -1.607 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 27.891 -10.555 7.093 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 3.604 -4.735 -0.991 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 0.524 7.914 -5.679 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 0.372 12.690 -15.531 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 18.289 -8.981 14.527 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 0.871 4.161 4.255 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 2.233 0.497 -14.431 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 5.302 4.275 4.787 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 2.621 2.184 -1.014 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 1.182 7.352 4.842 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 2.582 0.240 -6.133 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 -0.898 1.283 2.160 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 15.516 -6.413 9.514 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 -2.189 10.693 11.451 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 -2.319 2.043 6.570 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 8.402 8.831 -35.730 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 -8.628 -4.001 -7.716 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 3.590 6.908 -5.125 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 -9.031 12.683 -15.420 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 8.130 -6.550 -13.483 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 -0.768 -4.690 -1.558 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 -14.141 -5.831 -1.421 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 6.970 -0.153 14.432 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 0.058 -5.654 4.866 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 -12.759 0.560 -17.985 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 -14.033 18.152 0.275 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 -1.269 -8.761 -1.032 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 -9.135 -16.239 6.402 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 6.024 -9.932 0.669 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 -1.572 4.158 0.048 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 -9.298 -4.517 0.772 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 -11.203 -19.662 -2.572 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 10.827 2.209 -6.208 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 2.615 -1.120 15.623 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 14.021 9.102 -16.077 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 -2.637 1.709 0.616 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 10.820 15.397 14.673 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 -9.590 12.925 12.104 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 -4.899 -5.066 5.437 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -6.865 9.435 21.017 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 -1.565 -10.124 -11.711 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 -0.204 -9.622 4.233 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 10.986 -22.876 -7.228 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 6.389 -3.732 -24.295 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 -1.632 3.815 3.050 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 -3.073 7.132 2.913 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 5.556 -7.164 0.854 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 -5.947 -0.002 2.048 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 27.664 -22.286 2.915 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 -1.728 -3.750 4.125 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 -0.757 0.447 3.055 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 13.759 15.315 6.766 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 -10.744 2.240 7.005 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 -1.605 0.844 2.038 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 -21.277 -25.429 14.307 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 45.270 1.729 -16.003 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 -3.172 0.813 -7.338 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 20.550 -9.918 0.426 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 -14.774 -4.362 17.513 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 0.026 8.418 -2.241 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 0.459 3.145 6.392 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 17.398 4.244 4.649 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 -4.975 -1.667 4.175 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 -2.789 9.476 46.372 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 4.076 -20.913 -5.133 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 -3.526 4.935 1.920 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 -3.263 -7.073 0.059 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 15.582 -13.291 18.342 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 -7.623 -1.296 2.650 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 -4.646 2.840 -8.407 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 -4.433 -15.856 1.486 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 5.842 2.673 -4.174 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 -0.990 17.316 2.108 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 15.953 29.292 20.832 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 -2.649 1.498 -2.330 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 4.085 20.218 8.301 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 -25.038 -1.356 -0.555 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 5.541 6.922 2.248 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 12.520 16.254 -1.724 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 -8.397 6.431 -9.383 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 -1.411 -2.212 -1.667 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 5.345 -9.625 -27.758 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 -11.512 9.117 -6.460 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 -2.254 -2.400 -3.775 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 -18.272 -0.727 11.383 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 4.948 3.838 8.771 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 -8.755 3.285 -5.307 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 6.157 7.185 -10.616 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 39.091 -5.775 23.440 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 6.228 -1.151 -2.451 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 -12.251 23.044 -9.513 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 14.582 17.532 6.912 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 0.378 4.623 2.308 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 -16.149 3.010 20.432 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 15.991 6.746 -3.456 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 2.848 -2.440 5.847 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 -3.967 -6.774 1.870 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 14.042 0.475 14.191 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 -3.937 -0.892 4.067 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 -4.460 -7.598 -4.555 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 -7.296 -0.308 2.029 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 -3.327 0.118 2.084 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 -2.197 -17.980 -3.954 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 4.518 18.333 -4.918 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 1.561 4.354 -3.014 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 -5.911 -6.528 -5.318 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 1.912 -2.297 24.354 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 2.542 -5.627 3.409 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 -0.939 -1.746 14.052 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 3.499 -4.735 4.489 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 -3.262 -3.304 1.039 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 16.049 0.293 -2.209 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 -19.749 -5.322 19.501 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 -2.405 -2.385 1.146 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 4.821 6.459 2.606 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 -20.088 11.322 20.422 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 6.579 -3.237 -6.859 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 -41.396 14.726 13.139 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 4.556 -15.226 23.605 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 2.626 -4.238 3.376 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 3.413 12.998 5.760 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 -0.574 -5.448 -14.442 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 3.980 -0.985 -0.908 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 -3.165 -9.628 0.483 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 25.879 -7.304 15.491 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 -2.309 -3.364 1.319 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 12.036 -2.690 -24.286 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 11.483 16.552 -14.742 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 -6.793 2.721 -4.718 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 -2.836 -4.787 4.739 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 -14.441 2.697 -6.980 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 0.033 -2.741 5.991 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 -6.454 3.040 7.954 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 10.326 -0.485 7.628 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 1.958 -6.673 4.249 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 18.860 -2.377 0.965 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 -22.138 -7.633 13.319 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 0.513 0.441 -2.534 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 -25.243 6.818 -0.495 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 5.416 1.273 27.971 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 -0.833 2.326 -2.622 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 -7.059 -9.496 10.741 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 -6.362 1.432 -0.240 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 1.377 0.078 -4.606 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 -5.013 2.380 -8.941 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 21.359 -0.255 29.100 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 1.530 -6.482 0.907 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 -8.104 -18.719 1.383 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 -2.378 9.532 -3.652 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 -0.011 -4.421 4.826 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 5.645 -8.896 0.620 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 -14.681 5.016 17.386 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 -2.130 -2.555 -2.248 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 -0.553 10.988 6.069 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 -15.199 0.290 -3.985 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 0.570 -0.633 0.550 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 19.932 -2.371 -3.687 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 -6.936 -1.545 -3.741 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 -2.342 1.001 -2.401 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 -8.174 -10.678 8.005 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 11.242 1.390 -0.716 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 1.180 -2.917 2.293 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 1.424 -7.942 9.994 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 5.165 -10.725 -8.935 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 2.929 3.774 2.127 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 -0.378 -5.764 -1.158 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 -6.620 -6.630 -8.442 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 -4.656 -4.747 0.598 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 -4.750 -4.751 7.992 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 -4.603 -5.030 5.671 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 -0.056 0.629 1.706 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 -9.535 8.184 21.035 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 -4.459 3.833 10.597 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 -2.971 4.155 -1.252 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 -10.467 5.652 4.927 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 -32.865 4.065 -38.082 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 -5.961 1.433 -3.219 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 18.253 8.956 22.395 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 2.277 4.715 6.246 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 0.204 2.569 -4.456 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 -10.556 9.876 -6.428 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 -11.620 -1.888 0.974 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 10.367 4.182 -0.955 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 -17.182 -5.714 -2.730 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 -28.050 -3.268 -5.549 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 1.084 -0.775 -2.657 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 -17.502 6.730 -0.553 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 3.014 -14.961 0.597 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -1.068 -5.710 1.536 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 -2.158 6.110 -2.487 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 16.985 -18.767 6.219 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 4.693 7.370 -1.607 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 -29.469 20.154 -23.528 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 19.369 -11.858 25.032 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 -4.893 -5.669 5.198 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 -5.287 -8.526 -1.397 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 -0.871 1.196 14.509 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 -4.752 4.462 -3.626 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 -0.188 -9.748 -5.515 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 -18.210 11.438 -7.962 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 -5.130 -1.969 -2.102 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 19.778 -4.202 -1.494 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 -8.305 12.472 22.960 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 4.677 3.375 6.146 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 -3.193 -21.109 -27.448 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 12.895 -7.480 15.356 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 3.271 1.706 -4.733 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 3.216 22.723 -19.426 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 1.752 14.169 6.098 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 -1.633 -0.261 -2.995 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 -29.915 12.374 4.789 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 19.969 -12.249 18.802 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 -6.747 -2.203 2.642 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 11.981 -20.973 8.511 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 5.841 -15.853 11.572 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 4.769 0.863 2.659 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 17.562 -1.309 -0.973 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 -1.781 0.437 -1.022 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 -2.452 5.329 -0.888 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 3.325 -9.355 -13.073 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 8.204 4.139 1.652 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 -6.979 -1.151 -0.817 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 9.670 11.669 12.856 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 -9.685 -2.837 8.492 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 3.060 4.954 -1.186 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 -7.069 9.924 3.992 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 6.007 -5.811 9.851 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 -0.146 -1.940 -2.841 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 -8.934 2.439 -6.522 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 17.505 15.746 -10.001 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 5.925 -0.309 -0.094 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 -29.009 3.716 21.398 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 -6.118 27.381 11.617 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 0.323 7.632 4.718 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 -4.071 17.619 1.613 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 8.248 -22.924 16.486 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 -0.698 -0.430 0.075 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 8.165 -14.013 -4.373 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 -7.504 -5.914 6.473 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 3.890 -3.583 -1.129 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 -26.196 -24.800 3.236 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 -16.918 -11.171 11.224 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 1.964 1.372 -0.227 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 -13.267 12.297 -0.889 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 8.700 4.562 15.232 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 -0.308 5.282 2.098 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 4.454 -13.953 19.040 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 -24.947 3.976 -18.384 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 5.157 -0.762 -0.816 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 14.357 10.344 -4.197 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 6.677 -10.082 11.297 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 1.402 -2.194 0.474 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 7.929 25.998 -1.111 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 -22.765 -0.651 -28.568 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 8.156 -0.461 2.411 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 1.109 -2.582 -8.522 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 7.891 -5.678 10.257 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 6.853 -2.378 -0.782 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 3.284 24.087 -11.099 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 6.281 13.184 -19.258 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 2.885 -0.574 6.478 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 6.579 3.316 -2.132 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 6.128 -8.443 1.910 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 -2.877 3.336 2.885 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 -1.350 -6.029 -16.951 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 -2.288 9.339 -0.670 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 -1.546 1.954 -0.782 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 9.110 3.087 -23.271 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 -4.102 -10.279 -10.761 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 -2.385 4.560 -1.346 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 1.428 14.822 2.510 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 -8.593 -15.122 -7.593 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 -4.118 -3.194 -1.820 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 8.113 -16.206 -2.881 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 -13.833 8.119 9.985 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 1.698 0.886 -0.895 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 -11.373 5.879 8.284 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 -3.461 -8.583 -12.902 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 0.050 -5.633 0.119 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 -19.359 -0.255 5.088 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -26.877 -3.003 -6.844 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 0.660 1.613 1.240 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 -9.025 13.275 14.442 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 -6.140 -24.926 -17.599 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 3.658 0.199 2.336 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 -6.905 -10.672 -4.813 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 9.059 -9.093 -5.575 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 -3.359 -3.332 -3.492 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 -4.601 -3.715 16.223 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 -16.600 2.544 -11.295 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 7.729 5.801 4.578 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 9.396 -3.244 -0.444 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 8.560 -12.456 24.969 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 -5.541 -1.503 -2.596 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 -24.437 -5.018 -10.269 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 -6.599 5.477 6.598 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 -5.431 1.039 -1.970 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 -4.895 13.106 14.235 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 -5.289 -1.597 -6.923 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 0.767 -6.824 1.632 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 -0.923 -7.164 5.083 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 -2.723 3.245 3.349 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 -10.093 -0.867 -5.784 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 -10.698 -1.708 -4.958 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 -1.983 18.073 -15.049 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 -3.517 -3.909 -2.942 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 -20.398 -10.214 -2.776 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 4.301 8.758 3.994 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 -4.376 -4.913 8.755 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 9.345 20.941 2.882 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 -8.277 12.799 1.833 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 0.391 -0.325 0.896 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 -2.687 -19.655 19.716 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 10.111 12.889 -0.290 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 -0.560 1.658 -2.005 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 -27.083 -0.400 -9.624 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 0.418 1.555 -1.565 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 -0.323 5.438 -1.838 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 -12.237 4.651 -5.642 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 -1.411 1.154 -5.143 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 8.175 0.244 -1.850 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 -0.896 16.081 0.777 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 -13.189 -12.041 -3.865 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 -2.831 -3.308 -3.329 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 1.136 -9.090 0.030 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 2.220 -6.811 -10.408 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 7.504 -0.978 -3.437 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 12.392 1.721 2.365 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 -2.040 6.587 0.022 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 0.603 -4.771 0.703 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 13.664 -15.397 -3.499 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 16.602 -1.585 -20.115 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 2.320 -6.759 -3.593 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 4.055 -5.657 -9.872 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 -8.940 15.143 4.441 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 -2.996 -5.476 1.696 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 7.519 -14.344 0.553 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 16.303 -20.370 1.842 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 -4.476 4.631 -2.942 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 -20.245 15.368 -4.776 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 4.900 15.659 4.053 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 -1.959 2.336 -0.999 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 2.421 15.174 23.158 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 28.388 22.440 6.384 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 -3.499 0.262 -2.603 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 -17.968 -17.556 6.429 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 -12.307 -9.029 -4.071 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 -4.249 -6.936 3.229 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 0.680 14.157 -18.554 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 -37.579 0.470 16.967 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 -1.299 2.314 4.771 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 11.480 5.675 -3.474 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 13.115 4.544 -4.821 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 -2.524 -5.867 -3.508 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 -10.728 -4.147 4.970 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 -13.867 -0.695 3.943 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 -4.226 6.749 0.104 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 -4.787 6.625 -0.209 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 -4.853 -3.727 8.332 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 -4.767 1.356 -1.864 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 -11.450 15.915 0.710 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 1.717 -23.991 -5.728 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 -5.428 2.860 2.179 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 -1.579 5.348 3.004 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 -5.890 3.579 0.968 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 -0.546 -0.393 10.190 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 -5.820 -24.621 -2.620 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 12.323 2.565 12.113 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 -2.461 5.905 -2.742 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 13.269 0.827 -3.771 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 -1.684 22.449 0.736 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 1.166 -0.730 -2.922 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 -0.104 4.273 -18.875 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 -7.230 21.747 16.616 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 2.135 -7.719 1.793 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 2.805 -1.581 -0.276 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 -0.508 -10.254 -0.160 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 3.144 2.054 -1.829 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 -8.543 11.810 6.017 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 -4.559 -3.835 -14.926 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 2.439 -0.954 -1.261 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 -5.463 -11.675 0.152 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 -5.400 11.225 -1.593 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 -2.514 -1.031 0.664 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 -2.313 -6.571 0.332 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 -6.097 7.848 -1.616 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 -1.719 -5.560 0.794 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 25.622 8.646 11.348 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 20.176 -4.034 -4.281 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 -1.930 4.659 0.238 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 5.279 -13.633 -24.056 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 5.450 -19.750 14.914 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 10.226 -4.800 6.961 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 15.756 -13.270 -1.861 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 6.847 -19.800 -7.745 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 0.929 -3.429 0.221 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 2.984 -1.071 4.398 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 0.943 0.773 -1.902 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 3.827 -6.714 -3.115 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -0.601 -16.124 12.414 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 -7.660 -1.544 -7.672 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 0.526 4.487 -3.005 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 -12.177 8.790 -13.804 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 13.095 -16.265 -15.400 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 9.175 0.596 1.982 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 -2.854 -4.959 -13.670 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 -12.082 3.772 2.739 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 1.880 1.435 -2.122 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 -8.022 -29.442 -16.718 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 -6.706 -15.121 -11.967 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 10.641 -7.522 2.598 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 17.121 17.159 -8.230 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 21.998 2.801 -7.542 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 -2.626 -4.712 0.602 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 7.263 6.854 16.489 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 1.223 -0.917 32.640 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 -1.632 -9.586 0.424 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 -3.680 -0.375 12.844 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 3.102 16.939 -3.818 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 -0.927 -4.710 2.067 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 39.385 8.949 -16.716 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 8.556 -15.303 26.222 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 1.633 -0.671 4.097 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 2.604 -0.337 5.501 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 20.022 6.680 24.720 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 0.991 -5.818 -1.447 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 -3.968 -9.012 0.846 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 14.458 3.887 -8.136 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 -2.956 3.427 -2.533 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 -8.780 -7.996 -17.527 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 -11.155 -5.594 -2.899 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 -2.805 7.546 2.014 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 -23.778 -9.019 -3.025 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 18.526 1.231 -15.797 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 -3.621 5.011 -2.256 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 4.683 19.583 10.452 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 3.567 -15.502 8.133 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 -3.458 10.080 -4.305 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 1.384 6.141 -9.680 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 4.542 0.054 -0.657 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 6.345 0.276 -2.567 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 6.842 7.337 -15.719 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 -7.357 8.260 20.453 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 -0.391 -0.448 5.269 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 -21.439 1.483 -0.173 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 9.197 -0.368 7.569 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 -1.997 -1.975 5.630 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 3.721 0.180 23.924 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 -13.985 12.683 1.321 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 -0.562 8.989 -0.582 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 -6.193 7.850 -2.125 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 11.002 29.843 -23.006 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 -3.982 4.904 1.853 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 -1.292 3.649 -16.023 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 7.393 -3.555 15.125 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 2.035 -2.573 -0.362 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 3.250 14.001 4.422 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 -22.034 -0.698 -7.038 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 -3.043 0.134 2.021 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 10.005 -11.593 0.355 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 -13.523 -3.223 -16.444 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 3.438 0.214 1.144 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 -2.600 -3.894 10.239 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 4.577 -2.195 9.162 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 1.864 -5.260 1.974 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 4.699 15.412 9.340 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 4.152 -8.910 -6.922 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 2.265 -5.011 6.949 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 2.666 -7.803 20.762 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 0.287 6.114 -9.581 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 -5.551 -5.766 -3.628 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 -9.030 -15.458 -10.073 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 6.975 3.458 4.177 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 -0.454 0.324 2.716 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 -3.635 33.287 -16.759 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 -35.325 -1.680 19.346 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 6.255 2.251 3.218 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 -0.233 -2.025 6.225 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 3.327 8.414 -25.055 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 0.649 0.296 0.339 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 -5.186 -7.586 -2.704 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 -27.594 8.214 -30.033 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 5.813 5.521 -4.453 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 4.667 -7.527 -0.692 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 10.178 -3.510 1.280 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 -3.328 -1.023 2.927 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 -0.923 -12.946 6.196 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 -0.550 14.955 -8.617 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 -5.597 2.652 -2.078 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 -5.608 3.047 -10.399 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 -18.856 8.888 5.974 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 0.952 2.601 1.468 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 7.252 -20.147 -30.666 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 5.067 -0.230 -4.358 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 2.048 1.638 5.934 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 -2.204 2.530 9.921 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 9.391 -9.519 14.677 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 1.983 -1.834 0.261 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 -3.726 -22.225 -1.473 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 4.262 23.828 0.676 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 1.683 -4.397 -4.014 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 0.731 -5.994 -3.586 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 14.983 3.486 -3.326 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 2.656 7.245 -2.717 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 3.995 8.397 -24.686 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 5.618 10.765 -3.341 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 1.546 -2.857 0.558 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 3.683 -10.257 -16.623 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 -11.854 -13.628 32.112 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 -2.093 -3.783 -3.687 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 11.847 -3.670 -11.626 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 -8.537 -13.878 16.172 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 4.073 2.610 6.095 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 -2.233 -19.175 -36.627 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 -3.579 -6.012 1.215 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 4.697 3.904 0.061 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 12.209 -0.374 -4.695 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -6.500 7.450 1.777 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 -0.632 -4.276 -5.510 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 -0.286 -2.990 -4.944 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 -4.435 -9.527 -10.178 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 4.294 -1.037 -3.985 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 -4.555 -28.471 -5.734 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 -7.203 2.402 -8.557 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 -8.125 3.504 0.143 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 12.913 2.784 14.728 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 -2.138 7.369 2.368 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 0.585 2.020 -2.751 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 7.266 3.283 0.650 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 26.086 5.629 7.593 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 4.087 -4.316 1.609 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 -13.709 -13.324 4.462 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 1.818 -6.837 8.539 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 -3.107 -4.027 2.143 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 -28.898 21.590 17.736 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 7.789 14.661 -28.420 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 -1.902 3.747 0.820 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 2.627 -12.468 4.678 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 -6.819 6.699 10.262 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 5.060 7.934 -1.941 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 1.067 12.394 2.952 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 2.651 1.736 10.073 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 4.519 9.142 4.220 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 10.064 5.369 1.866 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 -1.430 8.405 16.948 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 2.273 -2.004 1.517 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 4.234 -2.664 2.573 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 2.271 -0.723 -0.400 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 4.076 7.809 -3.111 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 27.041 -1.941 11.678 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 -11.183 10.244 -18.680 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 5.510 -5.221 -9.747 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 -9.946 8.518 -16.315 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 0.785 -34.004 -13.662 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 -0.010 -4.805 5.025 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 1.998 -3.964 -1.600 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 -12.932 3.679 -0.628 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 -5.446 1.330 -3.088 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 -9.850 -7.206 25.293 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 4.626 -13.178 -25.178 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 4.649 -2.495 6.254 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 5.548 -2.431 11.381 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 0.152 -5.151 5.410 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 8.576 -1.763 5.901 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 -5.209 -14.124 9.283 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 15.978 -4.337 12.237 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 -4.683 2.191 -3.689 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 -14.218 -33.279 4.231 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 -3.499 14.804 -6.418 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 3.144 -8.722 -1.855 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 -3.661 -2.746 4.271 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 -8.891 1.170 8.468 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 2.209 0.202 2.707 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 -7.181 -5.455 0.784 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 3.535 7.766 8.463 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 -3.700 -4.886 1.927 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 7.644 -8.016 4.059 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 25.667 -3.618 2.245 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 0.478 0.525 -1.472 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 -7.261 4.159 -9.796 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 6.676 -12.002 5.273 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 -3.215 2.275 3.796 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 14.402 -5.950 6.600 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 -18.227 8.583 1.436 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 -1.652 3.024 2.565 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 -5.559 -4.890 -0.566 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 10.480 28.943 1.224 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 -3.989 0.916 -1.628 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 3.216 17.051 -5.904 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 -3.550 23.583 10.757 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 -3.217 -0.711 -0.720 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 6.651 -0.906 -1.609 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 -4.445 8.766 0.750 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 -4.617 -0.010 -0.431 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 -3.230 -1.218 0.878 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 3.784 -10.199 -0.315 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 2.380 -2.245 0.281 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 -0.170 -8.974 -14.408 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 4.619 2.684 8.501 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 -5.259 0.157 -6.249 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 -7.861 -0.961 1.902 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 -6.419 -5.684 -12.821 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 3.024 -1.297 3.701 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 -0.335 5.964 5.952 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 6.310 -5.874 3.905 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 6.871 2.958 2.856 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 14.004 -2.013 7.919 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 -4.787 4.240 -4.818 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 4.412 0.857 -6.943 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 5.136 -6.108 5.453 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 1.562 1.601 -4.199 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 0.166 -4.898 -0.019 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 12.252 14.470 18.138 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 3.214 -20.207 -11.305 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 -2.122 -5.545 -4.146 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 0.008 2.756 14.489 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 1.455 7.693 -4.363 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 -4.539 -3.002 -3.091 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 -6.251 -12.551 -11.768 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 -0.518 -1.253 -4.773 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 2.730 5.310 -1.851 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 -5.903 12.355 -3.618 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 -34.980 2.360 -0.100 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 -2.631 -1.069 11.592 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 4.232 -5.520 9.622 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 2.173 -1.476 11.483 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 6.112 -5.277 -5.269 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 -6.077 3.024 8.991 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 -2.400 8.358 -0.953 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 -0.046 4.406 1.313 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 -5.200 11.535 -9.892 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 3.108 -3.814 13.285 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 -1.902 3.404 4.588 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 0.237 1.660 13.175 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 28.790 6.704 -32.654 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 0.796 -2.852 2.991 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 5.172 -0.304 9.664 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 -8.698 -3.443 -5.585 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 -3.122 -3.949 -5.925 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 26.215 5.238 8.147 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 -22.328 -7.296 3.389 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 -0.825 -0.282 -0.159 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 -6.453 -19.264 -3.901 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 12.347 8.470 11.819 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 -5.589 3.436 9.739 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 -17.224 -6.225 16.891 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 -10.741 -6.824 11.123 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 -3.663 0.780 5.118 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 7.966 1.218 11.018 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 10.514 4.367 8.711 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 1.142 -0.473 6.670 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 9.229 -13.636 -10.965 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 -29.184 2.683 0.104 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -5.014 2.037 2.130 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 8.701 21.023 -17.331 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 -8.940 10.823 -10.939 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 0.605 5.872 -6.779 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 -0.959 -0.972 -20.894 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 -14.659 25.313 6.256 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 -2.207 4.939 -5.068 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 1.284 9.858 -9.896 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 -9.967 -5.629 7.453 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 0.432 1.945 -2.989 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 4.173 -5.824 -0.708 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 -4.941 8.557 -9.717 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 -4.243 3.623 1.227 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 -17.178 11.736 -8.769 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 -4.913 -2.071 7.866 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 1.292 2.630 1.400 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 3.037 13.273 5.708 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 -2.713 0.630 6.054 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 -2.430 9.728 3.266 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 23.263 27.987 16.072 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 -2.591 6.214 9.455 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 -3.688 2.371 -1.759 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 10.558 -2.004 -10.413 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 28.749 8.292 -21.712 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 -4.116 -2.867 9.620 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 27.105 -10.635 21.877 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 7.808 -13.460 -0.565 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 1.436 -4.879 -8.254 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 18.971 -8.834 6.328 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 2.609 -8.180 1.038 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 -6.326 4.208 -1.469 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 8.473 -2.066 -23.757 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 -1.846 5.972 20.820 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 2.635 1.148 1.899 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 -4.530 -2.699 4.084 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 8.378 3.185 6.059 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 -6.652 -1.703 5.734 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 6.934 1.703 9.160 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 10.369 9.053 8.035 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 3.388 -3.115 -1.666 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 11.194 -6.658 -2.983 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 4.777 -3.042 1.195 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 3.503 -4.252 5.621 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 8.405 -7.211 -5.843 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 -14.336 4.925 9.234 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 4.186 -2.102 4.824 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 -8.358 15.200 -17.724 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 1.695 -3.780 9.437 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 4.144 5.372 -0.993 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 -10.305 -12.998 -14.070 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 -8.556 -8.305 -5.876 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 4.936 -1.248 -6.659 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 -3.368 3.874 -6.702 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 10.302 -4.696 -5.209 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 2.294 2.236 -1.131 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 4.701 5.211 -14.907 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 11.093 -0.685 2.159 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 1.660 3.920 4.165 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 -6.103 -17.362 21.744 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 4.810 8.891 8.149 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 1.426 -1.340 -2.564 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 -19.608 2.535 -8.826 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 20.859 -14.651 5.763 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 -3.996 5.569 -0.182 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 -6.725 -16.695 7.869 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 -18.326 8.202 11.964 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 0.504 6.911 5.866 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 -14.384 -10.720 20.615 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 -3.459 1.822 10.036 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 5.093 -6.353 -0.803 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 8.121 -7.907 -6.501 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 -2.109 -5.800 -1.966 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 2.408 2.001 -0.111 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 3.520 -0.538 27.706 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 -3.452 0.024 0.410 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 10.309 -2.499 1.333 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 3.331 3.093 -9.599 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 1.616 9.849 -14.884 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 0.667 -5.839 1.031 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 11.154 -7.831 -1.545 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 1.246 -3.972 13.640 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 5.436 1.255 5.641 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 -2.557 -14.468 -18.267 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 25.811 0.244 -17.805 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 -3.717 4.632 -0.487 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 4.012 26.924 1.182 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 11.628 7.822 -0.250 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 5.614 6.300 1.382 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 -2.334 2.869 -8.588 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 9.355 17.667 -7.693 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 -4.310 -1.559 5.340 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 -6.473 13.781 3.476 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 -2.339 -6.258 -2.312 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 4.150 8.841 -1.715 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 -6.046 -0.062 7.258 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 -4.748 4.255 15.899 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 -2.037 2.447 -4.850 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 3.918 9.268 -12.138 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 -3.790 -2.373 -1.493 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 3.435 -0.485 -0.121 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 12.139 12.411 18.169 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 -20.231 -0.326 4.027 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 -3.822 2.477 3.691 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 8.230 17.394 -4.912 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 -28.473 -1.493 10.157 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 -0.958 -1.024 -4.155 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 0.366 -9.448 -0.564 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 -1.630 18.266 -9.026 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 6.986 0.339 4.572 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 0.145 -6.485 -2.006 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 8.394 1.804 0.459 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 -9.542 0.468 -3.221 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 10.415 24.158 1.932 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 4.353 -3.961 0.121 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 0.437 -0.919 -1.627 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 -2.214 -2.636 1.442 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 -6.118 -2.998 -0.951 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 0.141 -0.364 5.838 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 19.454 15.210 -14.422 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 16.689 -10.696 -15.084 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 4.739 -2.839 -2.123 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 -7.793 -21.628 3.089 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 -15.008 -14.458 -7.828 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 -2.064 0.308 3.722 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 5.125 -21.192 -9.632 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 5.851 27.206 -12.299 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 1.601 -8.095 -1.044 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 -5.626 -9.580 4.006 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 3.276 -18.046 -1.833 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 -3.428 2.443 7.583 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 1.115 5.026 6.543 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 0.208 -2.556 2.947 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 2.653 -4.097 -0.089 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 6.364 4.808 10.129 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 11.705 17.321 23.932 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 -0.227 3.698 0.019 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 14.835 -1.282 9.698 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 -11.729 -8.029 3.386 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 1.444 -2.721 -1.896 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 9.785 -7.261 4.950 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 -10.179 2.644 -11.678 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 0.557 -8.556 -3.922 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 7.868 12.300 -3.156 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 14.423 -24.229 -13.210 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 -1.327 3.618 2.830 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 -12.972 13.236 7.109 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 17.539 7.298 11.114 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 1.574 2.842 -0.010 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 -13.735 -38.470 -0.134 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 -19.764 -8.383 0.396 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 0.203 4.472 9.450 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 13.767 -2.068 15.811 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 29.610 7.790 -3.238 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 3.954 7.142 0.297 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 -4.383 0.706 -18.285 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 2.230 3.735 9.496 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 -4.548 8.613 -0.124 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 -3.331 11.291 21.298 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 8.982 -30.453 -18.483 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 -0.072 -3.790 -4.502 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 1.086 -4.946 -4.840 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 -26.975 1.856 -40.189 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 0.866 -3.250 1.994 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 4.020 -4.793 5.881 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 -3.812 -7.050 3.404 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 1.502 2.021 -3.424 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 1.813 -0.384 -5.584 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 3.586 -4.500 -12.176 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -2.517 -6.377 1.779 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 -1.595 -9.988 2.322 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 -2.321 -6.734 1.853 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 -0.154 -2.392 1.175 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 16.487 6.313 20.070 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 -2.679 1.985 2.100 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 0.310 2.486 -3.359 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -14.268 -0.951 -8.638 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 16.271 1.962 7.233 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 3.852 10.269 5.668 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 19.064 9.747 -33.279 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 -2.114 4.408 17.576 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 7.891 -0.700 4.550 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 5.160 -7.900 9.131 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 -18.638 1.337 -34.323 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 -3.785 8.749 1.151 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 -13.364 11.131 8.003 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 -3.384 6.514 10.499 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 -2.269 3.501 -0.302 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 3.691 -18.935 9.630 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 15.283 7.937 -17.523 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 2.851 2.346 6.209 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 -1.119 -40.502 -22.028 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 -8.605 4.968 22.032 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 -3.447 0.093 -5.182 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 -12.105 3.676 -7.261 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 -3.290 2.882 -7.224 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 1.954 -1.311 3.328 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 4.858 -5.235 4.579 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 14.299 -9.216 1.927 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 3.913 -0.833 -2.658 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 2.778 -4.753 15.289 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 -10.835 4.010 -4.765 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 4.419 5.175 0.248 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 13.737 5.635 -6.529 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 -5.181 7.379 24.663 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 -5.610 0.273 -0.243 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 7.313 2.331 -20.124 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 -6.604 8.781 33.289 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 -1.699 1.022 -1.197 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 13.343 -9.852 -8.718 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 9.447 17.719 -11.910 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 -2.949 3.964 -1.855 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 -7.216 -39.214 6.088 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 -4.752 -16.566 3.209 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 0.812 1.556 3.199 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 3.892 11.241 13.959 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 -11.836 1.761 -5.605 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 -0.855 -0.816 -2.167 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 0.456 -1.027 -5.085 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 11.731 -1.114 -26.106 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 -3.923 5.935 -3.546 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 11.424 -2.346 -2.856 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 7.958 0.790 -3.854 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 -6.001 -1.938 1.540 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 -5.885 6.825 13.867 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 -1.374 6.576 16.363 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 -7.527 -0.957 0.021 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 -24.830 -0.164 -1.903 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -3.406 -15.709 -10.185 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 3.274 -4.596 -0.813 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 2.118 -23.081 -0.499 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 -24.100 0.742 -23.643 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 2.181 -1.853 -1.245 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 18.051 -5.985 -11.137 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 -5.867 -28.951 18.405 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 -5.941 -0.665 -3.053 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 13.667 -22.344 -40.047 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 26.014 3.338 18.218 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 -0.553 -2.083 4.890 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 7.467 -14.900 20.224 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 -2.741 6.740 9.411 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 3.807 1.284 -2.587 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 -9.804 4.369 -5.121 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 7.322 -10.295 -10.628 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 -2.852 -0.382 0.935 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -2.222 15.111 14.568 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 -6.919 -4.068 14.045 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 1.394 11.078 3.634 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 -8.271 0.746 -1.152 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 12.274 10.783 -6.599 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 -1.508 4.044 5.535 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 2.712 -1.111 6.084 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 -7.979 -1.974 9.538 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 -1.620 -1.556 -1.316 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 -2.127 -1.484 -0.085 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 -3.259 3.665 -16.984 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 -7.836 -1.624 -5.349 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 -12.786 -28.780 5.602 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 -8.662 -1.873 2.200 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 -1.479 -7.956 -2.103 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 -3.950 -4.102 1.646 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 -2.184 -7.157 -4.633 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 -2.586 -6.704 3.127 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 19.959 17.043 25.916 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 -6.410 19.796 -1.701 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 -2.041 4.692 1.388 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 5.006 -24.142 -11.235 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 -7.332 5.882 -4.667 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 2.339 3.081 -1.307 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 -16.120 -9.573 -20.324 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 -2.920 5.886 13.485 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 -3.807 -4.079 0.951 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 -18.797 9.536 6.244 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 2.310 -20.260 4.682 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 1.652 -2.701 1.375 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 -5.980 -8.558 26.052 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 -0.500 -3.984 6.901 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 0.504 6.368 2.762 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 -2.714 10.460 1.270 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 7.126 10.276 1.412 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 -1.433 -1.100 0.236 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 -8.203 14.709 -6.342 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 -11.442 -19.583 -16.116 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 -3.296 -5.016 3.808 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 -11.302 -10.521 18.316 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 4.565 4.352 -15.381 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 -0.834 2.823 -1.254 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 -7.610 10.193 -5.633 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 7.010 1.387 -5.404 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 -5.949 1.071 0.094 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 29.321 5.454 12.145 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 -3.351 0.598 19.257 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 1.493 -6.748 7.366 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 -11.417 21.977 6.774 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 4.195 -6.811 0.443 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 -6.555 -3.944 2.488 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 8.365 -3.453 3.280 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 -4.401 36.910 -11.139 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 0.013 -5.019 -0.967 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 -1.197 -3.185 3.795 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 28.739 -0.813 0.743 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 -0.176 1.019 -7.283 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 -1.261 1.774 -5.337 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -30.711 -11.613 18.791 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 -4.833 2.428 -1.507 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 -11.327 5.388 -2.742 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 4.836 -1.687 0.767 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 1.427 1.785 -0.484 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 -6.362 0.876 2.036 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 17.070 4.762 -12.378 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 -0.337 -1.202 -1.675 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -9.351 -1.456 -7.523 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 7.813 7.566 -2.537 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 -1.872 -2.552 -3.871 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 -4.709 -13.148 -2.616 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 -19.455 -28.089 18.360 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 -2.772 -3.216 -4.097 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 18.246 -19.334 -6.231 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 7.417 -6.700 11.460 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 -0.131 0.273 1.955 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 8.736 8.323 5.813 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 33.591 -23.338 -21.634 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 3.240 -2.262 -4.589 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 3.610 -1.400 -3.728 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 23.836 18.669 7.070 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 1.717 3.182 1.599 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 11.420 7.832 20.944 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 26.095 -8.356 0.238 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 -0.392 -1.571 -5.783 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 0.763 -5.917 2.869 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 -31.653 21.096 -2.347 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 -1.495 3.442 5.412 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 11.801 6.890 5.995 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 -4.814 0.032 -2.055 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 4.216 -2.553 6.728 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 0.389 5.017 -6.708 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 1.093 -1.093 7.059 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 -1.390 4.326 -4.315 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 16.276 -7.271 -0.313 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 7.779 -2.896 -11.652 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 -1.017 -3.414 5.893 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 -10.508 -3.936 7.712 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 5.921 -3.109 -15.473 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 2.809 -0.199 4.634 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 -6.777 -0.054 13.838 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 0.885 11.947 0.065 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 1.847 2.379 -3.090 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 -8.052 3.997 -9.770 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 2.563 -8.865 0.688 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 -1.905 -1.536 14.717 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 -25.722 -5.164 12.470 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 0.261 11.117 22.575 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 2.791 -9.404 3.925 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 1.338 -1.372 -4.769 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 1.388 -20.367 0.453 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 -2.985 1.199 1.588 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 -1.335 17.042 -16.110 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 5.894 3.935 -1.816 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 0.232 7.335 6.526 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 9.609 8.163 -13.640 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 -0.780 2.525 5.860 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 -2.900 3.122 -0.718 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 6.611 7.654 -6.311 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 5.408 21.775 8.210 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 -11.809 3.993 3.074 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 -0.677 12.112 -14.731 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 -21.768 -6.957 12.887 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 3.120 -2.512 5.435 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 -13.489 13.951 21.796 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 3.935 23.223 5.086 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 1.276 -4.269 -1.551 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 5.253 13.586 4.595 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 2.133 -3.127 -0.976 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 -1.473 -1.745 7.307 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 -7.346 -3.413 17.080 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 -21.777 9.323 11.030 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 3.184 1.373 -3.275 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 1.095 1.400 1.012 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 9.176 0.267 23.864 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 1.462 -3.534 -2.754 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 17.252 10.832 0.003 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 -15.162 -2.016 -13.000 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 -0.414 -0.769 -1.948 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 -23.201 -10.867 -17.837 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 18.262 7.733 9.142 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 4.252 5.385 11.233 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 5.375 5.289 15.609 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 30.939 12.560 9.892 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 5.370 -9.695 5.275 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 22.613 7.655 3.070 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 6.158 -4.452 9.852 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 1.570 1.615 0.006 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 1.637 0.609 -6.313 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 9.297 9.651 4.910 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 -0.220 -1.179 -0.608 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 -19.757 -14.556 4.079 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 8.833 8.723 -12.405 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 -2.929 4.910 -3.379 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 -45.068 21.021 2.850 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 -1.703 -3.319 -48.267 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 6.453 -1.412 -3.173 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 10.055 -4.051 -9.516 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 -8.010 11.895 -2.375 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 -3.152 1.829 7.878 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 13.365 -14.555 -1.987 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 -9.411 4.729 12.038 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 2.138 2.598 -1.506 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 -2.645 -2.358 -0.441 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 8.579 19.033 12.384 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 0.356 -2.031 -7.899 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 -6.902 -21.899 11.069 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 -15.911 -16.399 -22.690 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 1.040 -8.294 -1.312 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 7.301 6.717 -39.527 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 -3.164 -12.295 5.877 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 -1.631 -0.905 2.841 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 -2.214 0.643 -5.002 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 22.674 -4.734 -1.107 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 -0.630 2.834 0.619 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 4.273 -4.039 -8.173 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 -17.708 24.788 24.084 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 -0.145 2.120 -2.881 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 -0.313 29.101 13.711 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 -37.461 -7.084 12.757 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 -1.413 -0.256 -0.803 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 -6.205 -14.064 13.313 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 -15.555 -17.828 -0.398 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 1.862 -2.204 -2.826 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 -1.593 1.007 -1.682 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 5.325 -3.828 -3.547 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 -3.731 -4.807 2.304 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 4.994 -11.228 -3.036 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 -1.016 -4.482 8.871 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 1.674 4.369 -2.034 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 6.083 17.974 -2.072 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 10.777 21.656 2.958 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 -8.454 0.508 1.166 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 4.785 7.303 -6.760 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 -9.546 -0.358 1.314 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 -1.482 6.372 -1.621 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 -4.211 -0.557 -8.827 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 2.327 18.922 18.487 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 -3.593 -8.461 1.144 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 11.276 7.447 10.216 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 7.552 -31.729 -32.348 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 2.799 8.936 -4.566 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 15.724 29.576 -13.045 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 -10.361 2.182 -24.305 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 -0.877 -3.604 2.414 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 -13.355 -18.008 -0.306 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 16.883 -6.459 -7.116 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 -7.470 -4.283 0.443 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 9.060 8.352 8.569 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 -26.006 -13.185 3.001 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 -5.506 -4.470 5.974 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 -7.756 0.273 -12.006 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 -9.145 -14.637 -14.750 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 -5.599 -3.071 5.749 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 -11.261 24.140 -0.707 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 5.008 5.248 -15.761 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 -6.299 -1.998 5.626 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 2.620 21.810 8.245 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 -24.296 1.676 2.296 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 1.367 3.563 -9.154 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 -0.168 5.155 -9.810 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 2.234 1.553 -8.770 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 -1.929 -6.404 -5.896 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 5.837 -1.675 11.826 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 6.218 -10.092 -5.177 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 0.634 9.798 4.447 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 -6.272 16.320 2.532 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 2.886 9.158 4.366 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 -0.912 -1.193 2.246 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 -15.123 -2.459 6.208 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 16.840 -32.558 -9.091 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 1.993 -3.790 0.921 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 5.442 -7.869 2.541 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 -0.329 -2.852 0.852 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 -1.828 6.381 2.189 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 9.587 -15.981 20.981 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 7.845 -11.204 13.113 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 -6.708 -2.250 0.462 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 0.678 -3.504 -7.602 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 12.237 -10.434 -18.404 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 4.489 1.097 3.337 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 0.676 -13.369 8.986 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 6.483 0.981 -10.635 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 -1.180 -0.249 4.816 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 -0.672 0.981 10.521 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 -2.616 -0.062 9.001 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 -5.249 1.220 0.456 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 -6.340 18.795 -2.426 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 4.528 -1.667 5.658 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 -2.398 1.201 -0.371 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 9.119 -3.830 11.183 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 14.083 -8.952 -7.226 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 5.174 -2.151 0.862 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 -4.535 -3.016 1.367 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 20.901 1.374 -1.519 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 6.936 -6.076 -2.339 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 -2.787 -7.895 2.542 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 0.283 2.373 10.195 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 -3.231 -0.691 -1.883 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 -11.671 8.901 13.670 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 10.021 2.881 -20.134 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 -5.791 5.968 -4.204 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 -15.785 4.895 1.842 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 -3.188 5.138 -1.546 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 0.295 -2.235 -2.797 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 -10.773 -0.079 -19.122 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 17.238 -3.357 13.094 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 4.121 2.945 4.217 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 -10.181 -4.177 3.225 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 -20.557 -2.179 2.049 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 0.647 -2.314 1.804 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 -5.692 14.913 -19.954 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 -3.926 -26.308 -12.746 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 -1.463 -2.980 -0.107 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 -8.506 -16.179 -10.725 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 3.958 10.015 14.452 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 4.118 2.030 3.263 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 0.618 9.065 -8.153 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 -6.889 6.606 23.089 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 -4.866 -4.726 4.078 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 1.402 2.294 -29.085 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 4.997 -23.263 15.763 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 -2.365 1.957 7.605 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 -5.666 3.811 18.561 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 -11.530 -4.275 4.052 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 -4.019 -3.382 -7.627 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 -3.181 4.424 -8.330 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 -7.265 -25.706 -2.351 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 -7.786 -1.397 7.529 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 -2.369 -3.022 8.262 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 -7.781 4.597 10.636 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 3.518 9.617 -0.428 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 8.616 11.365 -0.880 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 5.504 3.051 -0.238 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 1.247 -2.942 2.076 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 -1.538 -2.336 -1.445 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 4.516 -3.039 7.358 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 -2.366 6.655 2.790 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 -6.188 11.938 4.156 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 -19.720 -8.502 27.279 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 2.549 2.521 -3.027 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 27.880 -5.926 -7.587 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 1.122 2.540 -7.206 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 -2.156 2.342 0.478 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 17.763 -1.798 17.342 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 -2.898 -26.743 1.172 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 -2.215 1.161 0.052 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 -8.982 -6.543 9.185 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 -13.530 -6.172 6.125 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 0.215 -2.473 0.532 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 0.605 4.212 3.292 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 7.239 -2.231 -1.562 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 0.586 -1.156 -1.559 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 8.718 -0.806 -23.719 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 7.888 -11.915 8.939 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 -0.120 -5.507 -3.357 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 -28.760 -6.192 -15.243 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 23.747 -16.455 4.685 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 0.845 -2.293 -1.951 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 2.564 14.504 0.956 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 -3.670 -21.328 -7.692 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 -5.509 -1.758 -0.857 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 -0.780 0.484 -2.389 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 7.500 -5.480 8.940 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 -3.780 -1.764 -8.449 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 -4.049 4.042 -6.386 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 4.663 8.704 -2.607 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 -1.614 5.654 0.405 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 1.792 1.357 3.853 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 22.665 11.393 3.321 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 -2.959 5.070 10.650 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 -16.762 15.128 -17.711 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 -18.221 -19.835 10.452 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 -2.496 1.512 1.982 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 1.272 -2.328 -9.528 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 -5.912 -9.359 12.088 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 0.357 0.541 2.834 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 -12.021 -10.475 -4.541 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 -6.136 4.358 0.202 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 0.815 7.611 2.621 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 -1.618 13.142 -2.568 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 27.866 10.012 -5.344 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 7.878 -2.930 -0.970 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 6.716 -11.482 -4.105 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 -7.570 7.573 17.026 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 3.372 4.415 3.920 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 28.543 21.450 10.532 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 8.591 -8.130 4.424 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 0.096 6.449 1.847 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 2.429 3.935 3.866 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 -29.689 10.515 9.699 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 1.412 -1.803 1.034 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 7.808 -14.339 -0.294 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 4.814 -17.117 4.789 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 -1.232 -1.846 -0.504 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 3.921 -12.498 20.622 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 0.676 14.033 25.198 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 0.945 5.168 2.832 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 6.407 9.930 9.216 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 13.163 7.870 11.481 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 0.796 -8.883 -1.867 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 6.043 0.875 -2.091 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 11.840 -9.376 -8.303 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 6.520 -4.306 0.256 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 -18.874 -36.143 2.471 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 -10.219 -2.897 -6.326 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 -1.050 -1.529 0.029 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 4.097 -10.423 -7.074 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 10.555 -14.990 -9.492 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 6.441 -2.339 -0.498 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 -0.824 4.128 -22.044 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 10.797 -16.399 13.711 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 -3.557 0.391 -3.146 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 -0.700 14.437 -5.984 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 7.707 3.717 -0.124 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 -4.021 3.553 -4.913 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 -4.929 21.556 -10.416 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 7.998 1.241 2.370 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 2.843 2.635 -6.467 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 -4.126 8.116 -10.492 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 13.091 1.142 2.160 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 -2.391 1.387 -3.708 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 1.115 7.223 -5.455 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 -3.207 1.370 3.802 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 4.733 3.753 3.888 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 -0.194 14.663 8.703 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 -5.835 11.373 2.836 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 6.519 -2.460 2.833 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 12.693 -5.073 15.619 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 8.013 5.812 7.339 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 2.610 0.742 1.886 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 17.020 3.555 3.695 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 -1.877 13.866 -3.436 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 0.669 3.185 4.827 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 -3.795 4.309 -4.662 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 4.496 -2.227 5.739 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 -3.392 -3.584 4.624 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 -8.300 13.472 13.365 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 -20.539 -13.700 7.287 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 1.319 -2.024 -2.347 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 0.849 0.633 -8.019 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 1.026 0.767 16.194 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 1.269 1.467 6.009 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 -6.872 -11.511 6.588 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 -1.645 -11.481 8.411 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 -2.547 -10.658 -6.247 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 7.707 19.810 7.295 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 -26.970 -5.434 -32.419 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 -7.058 -1.309 2.554 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 -1.776 7.946 -3.573 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 6.362 -9.849 4.421 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 -4.717 2.618 0.086 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 -13.834 0.205 2.497 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 -10.010 1.117 1.020 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 4.968 3.434 -0.044 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 7.086 5.155 -0.527 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 8.832 0.401 3.300 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 -1.160 3.737 -0.199 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 2.404 2.048 -10.206 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 5.261 -2.605 6.570 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 -0.500 2.759 -0.891 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 -10.064 2.986 3.266 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 0.499 -3.022 7.551 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 -5.951 -3.721 4.622 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 -6.449 -4.546 4.200 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 -7.099 -1.278 3.775 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 -1.935 -3.322 1.156 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 -13.685 -0.632 2.388 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 3.633 -14.161 -4.984 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 -3.164 -0.179 -1.462 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 -5.480 6.154 -5.742 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 -14.305 -12.189 -0.986 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 4.348 1.163 4.996 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 8.532 -3.991 1.663 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 1.435 2.454 7.222 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 1.894 2.605 -6.027 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 -14.278 4.217 -20.738 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 -2.139 -16.093 9.496 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 -4.056 -3.573 3.852 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 -6.993 -3.378 8.564 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 -14.921 -14.780 5.911 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 4.553 -2.478 1.076 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 2.641 -17.812 18.522 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 -24.947 14.373 13.295 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 -0.278 2.708 -0.505 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 10.815 -0.224 -3.361 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 -11.814 9.924 10.960 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 2.992 5.243 -0.807 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 1.206 4.894 17.308 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 -5.377 1.339 -13.763 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 -0.346 0.061 3.641 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 -14.722 6.832 1.818 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 1.162 -5.204 11.070 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 -1.711 1.647 7.392 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 -1.466 -16.395 17.051 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 9.747 -1.591 -9.257 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 -3.924 2.325 -5.884 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 -19.276 -0.697 4.414 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 4.289 7.367 -10.004 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 3.309 -1.653 -3.309 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 2.155 -1.584 -6.472 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 -1.513 4.426 5.673 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 5.436 -5.341 0.958 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 26.768 -23.976 -3.493 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 -14.193 -20.575 -24.894 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 -7.877 6.165 -4.675 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 -0.085 31.203 3.275 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 -18.477 -23.088 -16.945 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 3.977 -2.461 -4.710 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 18.443 -11.704 -17.075 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 -3.163 18.771 1.344 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 5.033 0.786 -1.504 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 12.437 -2.593 9.774 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 3.227 18.207 2.287 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 0.315 -0.855 3.017 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 -12.927 -4.117 -1.441 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 15.428 -27.736 20.892 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 1.811 -5.745 2.490 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 -33.192 3.817 -2.963 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 -2.438 -7.450 -29.706 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 5.998 -8.733 4.926 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 -14.821 -0.526 12.225 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 -2.165 35.692 -7.994 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 0.221 3.657 6.583 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 1.091 10.355 -10.716 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 -1.115 -2.431 -38.076 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 2.258 -1.935 -0.922 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 -14.696 17.341 -7.899 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 -19.062 1.033 -3.129 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 -3.670 -1.423 -4.912 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 5.747 7.454 14.205 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 -2.928 5.889 5.835 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 1.804 7.498 7.500 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 -7.390 21.546 2.452 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 -7.329 26.928 3.320 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 -8.188 -0.672 -0.316 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 -17.311 8.739 -1.068 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 -19.974 -11.025 -3.790 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 0.633 0.014 -3.193 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 7.067 -3.972 7.011 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 6.805 18.581 0.796 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 -2.029 4.794 -0.843 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 -11.099 10.914 3.319 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 -2.584 4.337 2.352 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 -1.748 -1.706 -2.414 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 -7.902 -13.340 -4.531 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 14.451 -6.565 -10.622 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 -3.228 -0.085 -3.474 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 -10.987 -6.028 0.753 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 -12.348 10.431 -3.555 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 -1.387 2.726 2.213 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 -4.729 24.008 21.997 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 6.233 1.253 -15.814 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 -2.909 6.501 -7.373 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 -8.727 4.536 16.989 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 -2.989 -18.075 -13.820 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 -8.487 -1.999 3.969 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 -12.963 17.956 -2.208 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 12.449 14.093 27.258 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 1.480 -3.030 -0.924 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 -13.768 5.375 -2.783 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 -4.225 -3.902 -2.765 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 1.806 2.480 -7.547 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 12.457 -11.214 -7.201 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 -24.427 -9.070 18.703 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 1.014 3.194 0.960 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 12.183 -18.682 -6.244 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 7.277 -7.201 -2.220 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 3.696 0.214 -0.123 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 -3.122 1.262 6.081 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 16.448 -1.661 -10.237 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 -0.713 0.584 4.457 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 22.444 7.518 1.833 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 -10.107 -18.205 -2.266 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 -0.322 -0.684 0.022 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 1.302 0.539 -3.662 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 5.797 -3.786 -3.751 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 -7.202 -2.475 2.654 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 -20.156 18.301 -4.399 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 -5.687 8.286 17.738 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 1.871 3.890 0.058 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 3.336 -4.775 1.388 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 7.212 -12.671 4.302 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 -5.109 9.711 -3.472 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 16.750 -0.461 1.495 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 -12.806 -0.366 -16.493 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 7.521 2.443 5.600 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 -10.436 -13.254 -2.474 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 -33.844 -22.296 11.474 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 3.180 -4.502 7.668 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 10.106 -4.483 7.578 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 -7.151 -8.418 -19.676 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 1.112 -0.501 2.273 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 6.834 -14.126 -10.296 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 -11.180 5.013 1.006 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 0.066 -1.747 -3.765 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 4.711 4.911 -6.095 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 -0.304 9.935 8.599 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -3.926 -4.869 -4.962 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 2.121 -4.410 -3.166 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 -5.739 10.428 -3.189 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 7.304 -8.073 -0.146 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 23.907 -10.752 30.086 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 12.786 9.511 -15.465 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 -7.475 -0.762 -1.674 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 -7.385 4.320 11.931 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 2.979 -6.136 -1.732 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 -4.967 -3.297 1.705 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 -17.007 -5.074 -10.637 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 -13.102 1.043 -16.709 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 0.605 -5.294 4.901 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 -3.895 -10.692 -5.410 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 23.359 8.688 28.290 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 -7.210 -1.220 6.256 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 11.440 -29.244 33.978 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 17.838 -0.400 -42.170 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 -1.142 2.743 -0.071 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 12.159 7.388 0.756 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 0.231 -1.422 10.614 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 1.358 0.598 -0.990 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 -4.397 -25.991 9.787 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 -19.522 17.345 -6.938 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 1.552 1.045 -5.376 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 -3.094 -2.922 -9.190 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 -1.269 -5.257 -8.966 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 6.471 9.734 -2.381 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 11.637 3.464 0.477 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 -10.117 -1.046 26.591 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 -6.923 4.246 4.206 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 -10.099 20.189 -3.218 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 4.614 -12.188 6.255 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 1.669 5.132 6.353 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 -28.162 4.425 -23.367 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 -10.344 -0.939 10.802 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 -0.092 -1.920 -0.418 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 -7.749 -0.502 -1.648 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 -2.653 -12.111 7.005 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 1.005 1.578 3.199 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 4.734 -8.609 22.528 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 -14.992 -9.163 -6.568 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 -2.734 -0.565 -1.563 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 -4.629 0.646 -7.509 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 -5.150 14.472 -10.691 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 -1.217 0.656 2.294 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 12.300 -3.748 5.332 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 -7.046 -8.084 -12.004 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 0.041 3.549 -1.678 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 2.788 10.777 -0.022 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 -0.688 1.693 -8.322 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 1.672 -5.985 -1.565 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 -7.709 -3.828 13.203 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 -0.268 -5.761 1.116 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 -1.168 2.881 -2.695 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 -3.851 -11.133 -21.814 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 11.658 -8.708 15.142 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 4.800 -2.595 1.105 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 2.659 18.697 -5.725 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 -13.526 -11.021 -13.434 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 -0.386 2.414 -1.651 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 -5.554 12.471 -17.623 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 -10.472 -11.421 -1.559 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 1.810 2.392 0.888 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 -5.650 -2.799 1.511 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 -0.283 9.771 -3.795 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 -4.662 2.618 1.356 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 -1.006 3.645 5.651 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 15.255 9.701 31.545 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 3.718 0.706 -5.612 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 -16.519 -9.162 -0.088 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 1.969 20.897 -0.564 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 -7.510 3.571 1.660 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 -0.208 1.124 -1.858 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 -2.832 10.727 -4.423 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -5.558 -4.813 4.727 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 -27.800 14.308 3.640 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 6.466 0.804 23.835 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 3.795 -0.024 -3.790 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -1.226 24.992 -3.563 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 -11.087 -21.449 -16.805 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 -9.634 -5.277 -1.173 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 -7.340 10.658 -1.819 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 4.062 -11.759 4.860 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 -7.384 6.508 2.033 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 -0.784 -2.606 12.584 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 1.281 -3.634 14.727 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 -5.225 3.348 0.294 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 -4.161 1.077 -1.057 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 -7.589 6.576 3.157 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 2.930 -4.104 -3.647 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 15.681 0.741 14.497 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 27.250 -30.538 26.085 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 0.672 -2.149 -2.590 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 1.542 -4.057 -4.614 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 -6.853 -4.319 -2.520 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 5.034 4.234 5.638 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 17.595 4.454 -10.976 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 -1.105 2.446 25.243 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 -11.845 -4.484 4.313 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 -4.150 -0.152 7.887 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 -23.510 16.438 2.818 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 -7.065 0.869 5.630 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 28.970 24.948 -21.543 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 -9.869 12.538 7.744 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 -0.791 -2.806 4.874 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 1.508 -0.577 -1.829 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 8.068 3.340 21.264 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 -1.808 -3.132 0.465 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 4.612 -8.936 17.137 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 12.853 -0.690 -7.944 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 -3.556 1.401 3.936 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 -14.456 8.796 -3.462 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 -20.017 -4.717 1.825 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 4.402 -3.401 3.523 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 2.407 -15.784 13.127 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 8.809 -15.416 -2.826 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 0.789 1.210 -1.087 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 8.680 3.977 3.864 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 6.367 3.790 2.934 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 -0.904 -0.851 1.211 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 -25.512 3.599 13.273 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 3.142 -29.071 3.644 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 -3.736 -7.121 -8.043 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 11.214 -3.268 -13.922 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 17.257 30.450 6.553 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 -8.315 2.001 -0.579 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 29.137 26.717 -8.779 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 3.169 7.593 -5.807 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 1.327 4.037 -2.266 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 1.768 16.234 -1.930 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 17.067 -4.643 -5.171 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 6.012 -7.405 4.161 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 -11.660 8.407 -4.841 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 -20.561 31.923 -8.140 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 -3.110 -8.883 3.350 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 9.087 -0.631 -12.966 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 16.600 -15.025 15.829 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 5.527 2.618 2.925 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 7.379 15.551 -1.887 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 -19.574 -5.770 -6.601 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 -0.305 4.016 -4.777 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 -11.621 -6.859 -2.210 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 7.731 6.060 5.640 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 6.683 9.129 1.198 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 11.717 9.254 25.491 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 -12.995 3.716 0.776 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 -0.301 2.464 4.147 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 -0.181 -2.301 -6.611 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 -1.199 -9.398 -1.556 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 -4.536 -3.367 0.754 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 -8.079 2.952 23.790 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 18.144 -14.193 -0.347 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -2.614 2.085 2.056 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 -2.798 5.114 -0.240 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 -4.740 -5.622 10.703 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 -3.072 1.488 -0.846 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 -10.882 3.584 -9.511 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 7.074 -1.137 -5.414 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 -2.805 5.672 2.588 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 7.193 -23.792 -11.631 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 5.775 6.194 17.015 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 -4.971 0.188 0.288 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 9.390 0.967 25.311 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 4.690 26.898 11.870 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 4.141 -7.147 8.002 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 8.747 -11.819 3.104 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 -4.342 -0.263 -9.772 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 4.125 0.459 2.059 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 10.036 1.982 -0.898 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 11.237 2.177 1.317 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 -2.985 -2.057 5.975 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 -4.196 -2.067 0.432 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 -3.852 -0.727 9.229 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 -0.923 0.728 5.665 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 -0.055 -0.649 4.098 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 6.282 12.378 -4.077 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 9.295 -1.632 -3.206 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 -8.900 -5.693 -15.258 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 -0.873 -15.962 10.056 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 -5.369 3.081 -3.736 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 -8.265 35.031 -12.609 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 10.309 14.086 8.619 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 -4.259 4.775 -2.024 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 2.932 8.375 23.526 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 8.483 -17.859 -21.066 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 7.549 0.670 1.127 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 10.346 0.437 -14.828 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 3.259 1.696 -11.140 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 4.310 -7.183 -4.127 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 -2.711 -11.713 5.002 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 6.482 2.852 -0.361 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 -0.418 2.036 6.543 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 -17.663 22.063 5.354 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 -0.363 -9.068 -14.831 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 2.933 3.382 -3.855 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 4.859 -6.468 -6.487 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 4.043 -2.415 -2.869 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 -2.154 -6.339 -3.262 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 -14.774 -27.623 0.296 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 -4.778 3.621 -12.762 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 4.999 -0.572 -4.595 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 11.208 -6.445 -7.108 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 2.481 8.966 -21.592 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 -2.865 -1.456 2.299 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 6.745 -0.008 11.207 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 8.422 -1.702 -1.205 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 1.795 5.658 1.224 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 13.384 4.749 0.780 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 -10.582 7.396 0.425 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 8.444 -1.080 0.439 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 1.749 -24.442 -0.615 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 -16.765 14.828 0.620 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 -0.763 -0.051 2.785 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 2.843 4.816 -24.407 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 -1.136 6.094 2.181 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 -8.595 -4.476 6.309 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 26.338 -0.394 6.234 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 -12.779 5.261 -1.126 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 2.579 -5.285 0.867 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -5.651 -7.016 -5.378 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 -3.672 6.222 -24.208 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 -1.729 -0.585 2.488 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 13.865 10.871 14.994 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 -3.976 1.636 0.646 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 -6.458 -12.646 1.884 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 0.237 3.086 -1.204 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 3.186 11.746 -3.134 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 4.637 3.651 1.543 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 5.979 2.153 1.297 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 21.217 -5.287 -4.172 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 -6.625 -2.825 5.032 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 -0.475 -19.321 -2.715 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 -12.057 5.660 12.528 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 1.105 1.113 0.381 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 -9.424 4.637 13.180 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 16.179 1.610 -18.369 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 3.983 3.075 -0.080 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 1.204 1.372 3.612 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 -2.675 11.319 7.653 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 -2.827 2.836 0.785 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 -11.311 -23.320 -1.673 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 23.864 2.840 -7.283 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 -0.388 -6.353 0.016 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 4.295 1.590 -6.596 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -1.079 -3.532 -3.236 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 0.304 -0.868 -1.279 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 -0.628 -0.556 11.847 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 1.416 -5.265 -12.673 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 -3.631 -3.216 0.400 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 5.457 -3.909 -0.957 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 -0.175 -2.909 1.362 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 -2.234 -1.565 0.788 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 36.296 -3.177 -17.645 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 -5.257 -29.865 13.383 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 -1.324 -4.094 4.273 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 -42.817 16.591 19.001 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 15.609 -6.303 1.417 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 3.919 3.357 -2.206 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 -11.562 1.253 -11.808 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 0.869 -1.106 9.465 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 1.465 -5.101 4.249 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 7.423 -14.858 12.365 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 2.037 -1.603 1.415 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 0.659 -7.216 0.165 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 17.436 11.280 -17.133 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 10.141 2.567 -6.970 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 -7.244 -0.696 -5.700 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 19.642 4.522 5.079 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 12.049 3.113 1.917 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 0.971 -7.689 0.356 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 20.275 -10.735 12.197 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 -0.165 12.696 -6.947 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 1.683 0.990 -3.075 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 -0.220 0.306 -5.239 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 1.163 9.418 12.935 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 -0.392 -3.909 3.321 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 5.382 -8.367 6.143 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 -4.769 -1.961 -1.337 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 -1.771 -0.354 8.798 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 11.029 9.017 3.338 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 9.033 1.498 6.280 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 -2.989 -4.549 2.691 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 -16.273 -6.030 -11.167 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 -14.654 -8.926 -4.891 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 1.504 -4.634 0.882 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 -20.739 5.019 -8.903 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 -10.607 6.958 0.300 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 -0.941 1.127 -3.579 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 3.613 17.256 -8.093 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 2.820 22.479 -14.106 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 -4.625 -5.415 5.253 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 8.665 -3.528 48.975 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 -16.954 -21.625 -4.430 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 1.893 -3.309 5.173 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 -4.858 4.059 -19.092 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 -9.528 -23.177 2.492 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 -0.841 -1.834 -5.638 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 6.449 -8.552 -9.018 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 -13.662 8.783 -6.203 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 -4.325 -3.799 -4.887 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 9.050 -11.555 6.472 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 1.187 -2.838 33.632 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 -7.544 5.557 -4.980 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 3.129 -8.404 15.194 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 -12.721 8.616 -7.156 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 -2.369 -4.135 -0.844 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 -3.758 -0.545 8.103 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 2.091 -1.221 8.114 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 -2.318 -3.517 -1.246 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 -9.070 -15.877 -18.460 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 11.985 -19.825 16.244 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 1.654 -4.523 -0.439 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 -4.932 -7.445 13.590 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 -12.887 -5.356 22.706 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 2.228 1.672 0.425 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 11.522 -9.780 18.690 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 10.517 3.361 -1.777 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 -0.732 -0.046 -0.806 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 27.559 -4.627 2.226 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 -31.200 4.537 -8.871 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 -2.006 4.159 1.485 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 -12.852 4.072 0.419 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 0.427 8.433 3.190 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 -3.656 2.425 3.827 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 -2.647 -5.458 10.687 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 4.087 4.840 -9.172 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 -5.983 2.404 -3.612 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 -4.866 -1.031 -10.129 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 -8.493 9.914 -6.063 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 8.439 11.206 0.110 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 -5.710 11.760 5.380 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 -8.211 3.794 14.853 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 3.266 -0.992 -2.276 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 2.477 -0.343 -34.232 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 23.935 -13.124 1.892 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 2.363 2.050 -2.580 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 -0.719 -1.294 7.962 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 8.030 9.187 -8.929 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 0.086 -3.293 -1.292 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 -12.529 -17.173 9.044 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 -23.010 -18.154 -0.722 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 1.119 0.955 -6.949 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 1.216 6.136 -15.169 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 3.711 9.826 1.475 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -4.428 -1.134 -2.127 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 0.653 1.832 -8.939 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 -3.992 1.838 4.304 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 4.928 3.022 1.543 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 -7.541 27.581 12.175 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -6.159 -0.512 5.610 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 -2.438 6.470 2.173 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 -2.475 -1.737 1.479 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 17.321 12.620 8.805 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 0.163 0.718 1.198 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 3.590 3.605 -13.908 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 7.814 -11.299 21.451 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 -3.954 2.024 -0.981 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 9.842 4.322 11.439 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 -4.626 27.183 -10.205 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 3.201 0.583 0.051 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 3.041 12.064 -9.311 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 0.110 1.873 9.739 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 -1.187 2.778 1.804 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 -0.402 19.191 12.849 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 -11.850 3.440 -0.715 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 -6.548 2.369 -1.419 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 -2.376 6.433 0.975 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 -8.454 10.776 -5.452 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 0.251 2.696 -0.378 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 -0.966 7.331 3.942 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 -14.194 14.376 18.503 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 -1.709 0.698 8.020 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 3.377 -4.477 -1.837 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 -6.424 13.642 6.656 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -5.173 -7.694 1.990 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -3.308 -13.454 0.762 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 -6.087 2.987 2.627 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 1.624 1.277 1.524 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 30.252 -5.628 -20.089 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 11.441 2.365 -0.917 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 -2.159 -4.429 1.001 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 -1.692 3.603 4.617 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 -4.300 -3.410 1.301 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 4.473 2.492 3.106 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 -14.814 38.835 -0.954 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 15.290 -0.452 3.012 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 3.521 1.544 -5.243 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 -7.946 -8.337 3.050 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 3.935 -2.656 2.935 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 9.679 6.242 4.790 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 -5.377 -8.267 -12.932 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 0.874 0.001 -6.117 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 2.241 -3.420 0.355 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 -11.133 -8.617 6.367 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 -3.827 -0.054 -10.654 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 1.118 1.513 2.915 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 12.087 -3.295 4.206 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -6.693 -16.462 0.856 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 1.110 -4.762 -0.027 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 -19.753 -13.850 -4.222 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 -24.791 -6.985 -8.286 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 -3.369 -3.139 -4.813 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 11.242 12.726 -12.567 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 -19.895 8.425 -15.058 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 4.857 -2.918 -1.933 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 -20.218 -25.620 -28.198 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -3.436 -6.582 -9.858 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 0.469 -0.971 -6.075 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 -0.428 15.127 -15.876 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 24.653 -3.703 -0.681 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 -2.282 1.234 -6.705 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 6.291 -12.581 -11.875 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 -4.820 6.194 -5.787 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 0.046 0.663 -1.213 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 4.439 -10.210 1.634 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 6.356 -0.135 7.296 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 1.729 -3.081 -6.571 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 -1.737 -11.702 -1.403 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 10.137 -2.301 8.120 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 1.140 -5.260 -0.021 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 -0.844 -8.467 1.431 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 -1.161 -2.767 2.764 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 -4.397 2.004 -5.818 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 -8.847 0.964 -15.953 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 9.631 4.891 11.332 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 5.077 -4.389 1.538 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 -7.643 1.581 6.589 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -0.989 -6.816 22.951 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 0.722 1.918 0.574 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 -14.575 -2.927 9.774 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 -11.530 15.038 -16.240 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 -1.300 1.909 2.076 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 7.315 -9.605 -0.214 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 -1.453 0.154 15.246 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 -3.581 -2.361 2.097 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 1.644 0.798 18.856 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 -9.222 -6.029 -14.476 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 0.913 -0.368 1.706 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 -0.041 3.354 -2.553 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 -21.363 -4.585 -10.157 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 -0.959 -8.754 4.704 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 15.161 -9.504 -37.263 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 -6.101 -21.761 16.198 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 10.243 -1.618 1.830 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 2.599 -14.461 -11.242 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 -3.164 -6.621 23.781 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 -5.937 -6.508 0.437 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 -1.111 -11.101 18.031 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 7.103 -11.015 -7.666 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 4.099 -1.796 5.209 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 -12.811 -10.029 -25.023 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 -8.710 10.948 -8.580 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -0.744 6.622 0.637 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 -6.805 -6.740 8.078 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 -6.997 4.171 -20.321 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 -1.623 -4.547 -2.508 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 18.377 18.039 14.473 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 -6.498 -12.197 -10.472 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 3.027 -3.931 -3.223 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 11.327 -7.752 -10.245 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 -15.612 29.415 10.770 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 0.904 2.113 0.668 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 15.634 -1.791 -27.010 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 -6.313 -3.990 11.241 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 -8.756 -5.040 -1.529 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 -7.059 0.334 -4.591 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 -16.237 -7.124 8.776 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 4.550 1.800 0.538 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 -0.094 -2.145 7.212 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 6.335 -9.119 -6.826 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 -2.022 1.999 6.631 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 -23.583 -23.065 -6.754 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 5.653 5.983 20.564 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 -2.255 -2.597 0.503 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 -2.346 6.190 -3.299 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 -13.295 4.183 11.275 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 -0.143 1.632 2.414 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 -11.231 11.334 -10.017 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 27.509 -6.224 -6.015 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 8.887 6.581 -4.526 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 20.220 0.081 -5.516 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 -10.913 4.877 -8.651 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 6.042 -3.276 -2.612 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 9.480 -9.055 -23.799 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -1.979 0.174 1.774 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 -2.595 -0.362 -1.679 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -18.965 -12.247 4.954 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 4.780 3.604 -5.467 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 1.882 3.824 5.764 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 10.880 -6.058 8.678 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 -11.626 14.295 -0.985 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 -0.314 2.853 -1.750 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 -11.593 2.522 9.458 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 -9.836 4.635 15.075 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 2.970 -0.760 -7.389 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 -0.441 4.691 -4.243 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 20.192 -10.308 -7.609 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 1.410 -2.801 -2.240 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 -12.972 -11.467 11.725 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 -14.082 -9.364 7.740 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 -5.838 8.874 -1.766 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 -5.749 25.189 -21.832 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 -22.422 6.228 15.444 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 -1.937 -3.966 0.277 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 -12.274 -6.348 -15.940 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 -13.730 -4.369 2.844 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 -1.768 -1.819 -6.357 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 2.958 3.023 -2.482 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 7.611 -18.261 4.845 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 -0.089 -6.309 1.578 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 3.937 -2.782 9.723 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 7.622 2.086 6.070 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 -1.338 12.239 0.335 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 11.342 10.153 1.792 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 -21.179 -13.984 13.372 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 2.106 3.518 -5.067 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 -9.699 5.548 5.880 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 12.613 -16.543 -0.818 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 2.388 -1.315 1.608 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 0.360 6.523 15.967 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 -6.687 5.866 -10.642 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 3.193 -1.679 3.138 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 -0.871 -8.338 9.635 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 5.635 -0.774 8.453 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 3.222 -3.694 -1.796 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 -11.153 -9.308 -34.923 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 14.994 -1.280 2.301 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 -4.720 -9.458 3.258 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 -4.818 -8.983 21.904 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 8.208 13.997 4.226 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 -3.038 1.523 4.557 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 -4.114 -1.948 3.224 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 -0.053 12.147 13.324 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 8.935 0.681 7.873 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 -14.988 16.151 -5.739 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 14.769 -30.749 4.810 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 0.134 -1.025 -5.728 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 13.168 -3.367 -2.971 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 0.802 -0.876 -4.190 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 -0.226 -0.341 6.199 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 -1.274 2.255 3.068 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 -14.157 14.655 -2.018 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 -1.230 -1.424 5.680 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 -5.194 -15.304 4.034 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 4.343 1.985 16.137 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 8.662 5.861 -2.553 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 21.567 28.801 9.075 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 -1.764 8.087 29.827 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 2.136 1.545 0.581 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 30.466 -0.740 -7.269 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 -8.784 3.049 3.304 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 -3.098 3.975 0.532 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 1.513 29.660 -8.553 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 32.707 5.934 -7.914 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 -6.628 -7.054 1.211 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 -11.710 -11.947 2.255 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 5.472 -17.070 -21.710 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 -0.669 5.534 -1.134 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 -4.609 1.544 16.689 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 23.161 14.006 -13.524 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 1.776 -3.724 0.690 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 -9.148 -4.206 -2.692 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 1.708 -2.341 1.343 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 5.008 -5.087 6.977 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 -0.907 -10.762 1.817 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 9.632 4.829 0.344 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 -0.575 -0.093 2.356 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 1.576 -1.715 -17.190 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 11.283 -12.000 21.503 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 -1.537 -6.318 -1.435 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 23.947 4.276 -7.223 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 -13.191 -9.547 -6.357 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 -7.327 4.928 0.655 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 -5.330 -1.031 0.937 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 -9.454 3.664 20.213 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 5.555 0.611 -4.209 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 10.461 -27.620 -9.586 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 -1.548 25.511 18.231 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 -5.318 -2.023 1.282 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 3.059 8.323 9.394 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 2.359 -1.033 5.268 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 5.933 -8.938 -1.175 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 -8.136 7.282 14.872 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 7.509 -0.250 -6.501 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 -1.035 4.584 2.832 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 7.038 15.455 42.565 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 -4.010 15.746 2.211 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 5.320 3.554 2.632 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 -4.437 2.250 32.455 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 5.895 12.133 -15.455 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 -3.774 -3.172 -0.930 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 -6.042 -5.378 0.567 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 -10.396 -17.831 7.455 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 9.562 3.342 0.304 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 -6.130 0.257 7.594 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 12.698 3.017 -4.849 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 1.613 -0.114 -2.222 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 11.036 -24.407 -6.668 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -1.008 12.909 5.718 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 -1.890 1.582 -2.284 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 11.688 10.658 0.072 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 -6.996 -2.707 -3.205 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 2.392 2.267 0.750 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 -1.788 25.294 -17.342 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 3.342 10.060 -4.383 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 -1.809 -0.105 -7.394 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 16.643 -32.757 -24.256 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 5.188 -5.630 -12.716 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 0.187 -0.504 -4.611 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 -3.228 -1.630 0.352 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 5.826 3.110 -10.658 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 4.950 -8.884 2.263 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 5.850 3.803 4.146 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 19.413 12.068 -3.006 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 -0.174 1.441 2.574 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 11.425 -9.603 2.328 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 16.431 -17.948 7.943 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 5.335 -2.826 2.850 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 13.011 6.891 -9.368 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 1.321 14.208 -17.059 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 4.240 0.396 3.826 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 -0.792 22.758 -7.948 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 0.471 15.730 -6.445 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 -5.872 -1.219 -4.884 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 13.723 -26.663 -2.368 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 5.666 -19.475 5.841 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 -6.628 0.778 2.837 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 2.194 0.609 -6.015 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 -0.307 -8.604 1.354 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 -2.712 5.238 -8.016 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 19.856 17.080 -22.740 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 1.590 -21.332 6.756 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 0.843 4.757 -9.736 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 9.982 0.844 -11.129 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 6.874 -1.195 4.142 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 -7.427 -2.557 6.029 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 9.922 -9.094 16.338 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 -1.019 -16.382 -13.155 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 0.429 -3.024 -3.733 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 -2.042 9.629 -18.552 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 -7.817 -5.050 -13.996 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 -1.293 0.613 -5.837 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 7.688 -23.337 -19.453 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 -0.519 -3.445 -9.242 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 -0.839 -3.070 0.892 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 2.613 -6.299 -13.377 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 -7.654 -2.975 -17.929 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 5.736 1.964 0.381 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 8.499 -7.081 -4.392 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 6.402 53.086 -3.765 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 3.347 5.241 -0.715 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 1.370 8.242 17.872 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 0.662 7.303 12.954 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 1.542 1.441 -1.412 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 6.679 9.199 3.254 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 15.572 -3.886 18.746 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 2.239 -2.041 -6.851 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 -4.124 -2.791 -1.068 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 8.712 -9.092 -4.586 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 5.319 9.383 -0.741 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 7.516 19.068 -1.281 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 3.455 6.358 -12.199 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 -4.458 -0.989 5.423 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 -6.489 -3.720 10.722 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 2.591 13.221 11.081 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 1.937 -1.548 6.309 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 -12.887 15.388 -4.825 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 -7.570 9.467 22.782 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 3.515 3.787 -1.154 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 -32.814 25.477 15.496 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 -11.959 15.398 2.678 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 8.605 -10.374 -2.792 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 -9.539 -8.008 -3.398 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 -1.710 -9.685 2.431 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 2.287 -5.952 -1.167 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 -4.899 -7.656 22.215 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 4.813 -5.253 -9.337 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 1.455 -5.725 -4.162 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 6.159 -5.223 0.376 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 1.662 -9.966 -21.834 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 3.190 3.641 2.368 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 34.826 -11.480 -31.132 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 -11.962 31.484 6.758 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 2.309 -6.130 2.765 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 1.282 -24.268 19.630 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 2.389 -0.225 15.985 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 0.162 -1.256 -3.334 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 -6.096 -15.925 -12.936 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 9.290 -6.554 6.612 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 -1.159 2.994 0.336 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 -34.239 -12.855 -4.029 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 17.426 -19.425 1.480 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 -4.993 -3.343 3.092 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 -13.545 -16.209 -10.290 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 -15.110 -19.563 -14.254 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 -6.281 -0.931 -0.556 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 -4.412 24.100 -2.547 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 -2.317 -5.334 5.563 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 1.664 -2.144 -6.059 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 0.960 -9.323 13.924 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 14.804 21.150 -4.921 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 2.536 0.293 -6.700 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 10.267 -5.041 11.957 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 3.487 -14.156 -18.927 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 0.960 1.069 -1.982 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 7.949 0.290 16.971 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 -14.729 22.917 3.692 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 1.725 -7.922 -3.331 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 5.492 21.892 -2.325 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 1.764 4.479 -0.808 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 3.143 8.450 5.073 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 -1.944 47.367 -22.354 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 9.124 6.563 21.085 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 7.236 -8.065 1.071 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 -12.275 13.473 8.102 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 -6.880 5.582 7.240 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 1.392 -9.470 4.327 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 -36.937 -2.899 -11.667 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 -12.660 -3.629 -4.355 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 3.494 4.067 -6.826 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 -16.567 6.977 -12.498 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 10.180 -4.136 -8.108 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 1.597 0.384 -0.334 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 7.323 1.229 6.795 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 2.267 -0.869 -0.287 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 -0.501 -0.859 9.372 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 11.665 -6.661 10.267 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 7.577 -4.736 11.284 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 -1.120 0.899 -3.054 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 1.720 -10.963 3.770 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 -4.687 10.392 -23.681 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 -4.659 -2.927 1.355 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 9.521 -9.053 -2.235 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 14.629 19.435 -7.180 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 -2.917 -1.942 7.454 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 0.377 -13.852 2.005 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 6.156 5.065 7.875 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 -1.410 -0.058 -0.974 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 18.888 -0.817 18.279 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 3.436 22.575 1.020 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 -0.477 2.065 5.186 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 7.479 9.189 7.926 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 0.591 -0.064 4.844 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 2.164 2.180 -5.121 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 -2.647 0.723 4.616 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 5.551 -0.421 -1.896 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 5.795 -4.182 -4.800 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 -4.474 -15.338 5.603 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 -0.100 -7.799 -0.839 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 2.084 3.041 -0.486 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 9.480 -2.375 3.445 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 5.307 0.909 2.284 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 0.467 -0.661 4.220 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 12.931 -11.735 26.407 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 -1.333 14.120 14.256 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 11.980 0.240 -3.632 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 -2.252 18.223 -11.735 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 6.611 -10.857 -20.767 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 -1.536 -3.564 4.348 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 0.639 -5.076 3.395 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 8.997 0.323 12.027 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 6.168 4.722 -1.893 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 9.280 8.450 22.943 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 1.993 -1.279 -7.237 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 -5.115 1.207 7.458 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 -13.945 -4.826 -9.538 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 2.789 -18.030 10.408 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 4.144 -6.237 4.815 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 -1.497 -8.168 5.670 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 -4.987 -6.320 3.306 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 -0.300 -4.333 4.105 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 -11.765 -7.924 -33.687 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 3.131 7.805 13.677 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 5.535 3.205 -2.734 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 -6.604 -8.438 -12.139 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 22.543 7.003 2.104 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 2.404 1.088 -3.962 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 10.603 -17.698 -5.790 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 20.546 19.938 12.163 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 -0.399 -0.384 0.011 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 1.511 -7.083 9.354 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 -14.994 -0.388 0.664 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 3.508 1.376 1.290 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 -17.609 2.040 -1.225 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 5.269 -16.720 8.825 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 9.988 6.290 2.301 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 -1.037 7.210 14.961 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 29.422 7.955 -23.207 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 -4.221 -3.081 -7.625 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 16.053 -2.368 6.369 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 0.104 11.443 -4.747 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 0.003 -6.698 -1.020 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 22.919 -10.931 -18.396 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 -6.836 0.187 -18.052 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 5.993 -1.796 7.502 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 -0.200 -1.238 1.768 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 -13.840 -5.060 4.279 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 -2.836 -2.425 -1.838 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -22.065 1.025 -3.543 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 3.075 -8.135 8.626 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 -3.230 1.310 -2.541 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 5.213 -29.581 7.412 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 2.652 0.998 -22.425 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 -6.843 0.443 -4.898 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 2.351 7.130 -3.168 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 -9.283 -5.154 10.752 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 1.407 3.734 -2.953 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 -13.123 6.410 4.968 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 20.570 8.936 -12.626 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 3.754 -3.037 7.892 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 3.821 -10.340 0.382 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 -8.345 0.224 12.169 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 -0.175 -2.076 -0.882 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 -26.138 -4.596 -22.412 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 6.478 9.914 30.781 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 0.201 -2.882 -3.779 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 9.965 -18.667 -9.831 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 5.253 13.188 -5.764 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 -2.675 -4.689 2.322 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 -14.208 15.774 16.473 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 -21.878 -18.783 20.516 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 -2.681 0.681 -4.698 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 -18.093 -3.849 14.529 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 18.309 -6.012 -8.383 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 5.516 0.494 -2.351 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 29.389 -13.948 4.201 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 7.886 -12.967 -3.236 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 3.028 7.148 -2.134 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 -0.617 7.845 -11.361 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 -5.260 10.898 7.399 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 -4.547 -10.045 6.527 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 -0.659 -9.780 9.422 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 -7.728 -11.628 0.430 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 -1.118 -0.048 -0.794 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 -6.323 -16.097 12.046 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 -13.890 -20.910 -3.026 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 3.195 -3.733 -3.699 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 6.660 -6.003 15.042 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 4.527 -4.691 -7.418 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 3.625 1.588 -2.820 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 5.286 1.813 -3.770 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 3.789 -1.093 -1.455 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 0.043 -0.128 -1.694 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 -1.014 -28.541 14.979 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 1.072 -17.036 29.081 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 1.499 -6.254 2.684 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 -10.754 12.284 32.453 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 4.005 -24.038 14.651 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 -6.059 4.761 0.014 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 -26.553 -6.449 4.594 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 -18.817 12.708 -7.979 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 -5.030 -2.296 -8.101 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 -4.273 6.843 -9.373 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 0.669 -1.062 -5.354 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 2.923 -3.778 -3.761 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 -6.742 6.898 14.217 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 2.892 -19.567 -12.380 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 -0.713 -6.981 -1.543 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 10.267 -4.990 0.716 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 -9.464 -8.004 -2.547 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 -1.310 -4.309 7.749 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 12.541 -31.834 11.958 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 14.455 17.886 6.606 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 1.684 0.750 3.058 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 17.909 -13.273 -7.929 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 -16.162 -25.391 1.991 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 -4.476 3.825 1.032 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 -1.805 4.416 8.662 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 6.153 -7.738 -5.222 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 -10.402 -4.177 0.953 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 -24.480 1.832 2.178 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 7.794 -10.460 0.999 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 -3.470 4.564 -2.322 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 2.059 -4.014 21.279 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 -7.736 13.714 23.156 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 -4.665 -4.198 -0.509 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 -9.012 -10.497 -1.888 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 11.073 16.799 -8.982 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 -2.879 9.088 -3.001 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 -13.972 15.669 -8.738 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 6.934 -15.115 -3.593 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 1.649 4.661 -2.061 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 -14.153 24.281 16.426 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 6.160 0.549 -9.542 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 -3.679 1.089 -1.235 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 -20.635 8.280 17.820 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 12.446 -9.086 -17.573 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 0.873 -1.727 1.309 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 5.454 -7.301 10.865 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 9.681 20.118 -2.773 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 2.633 0.184 -0.100 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 -7.846 1.722 -7.986 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 17.667 6.351 12.610 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 4.278 -0.482 -0.108 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 -0.390 -13.468 -21.085 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 -16.014 -15.118 0.786 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 0.041 -0.599 1.665 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 -8.034 4.953 -5.133 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 -2.011 4.119 12.461 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 -9.193 0.354 2.293 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 14.523 -10.998 -43.083 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 12.805 3.433 -8.610 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 -3.564 -7.666 -0.603 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 9.082 3.143 1.166 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 -12.001 -3.506 11.077 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 -0.038 1.095 -4.016 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 19.913 13.842 12.777 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 17.967 16.986 12.371 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 5.168 0.815 5.148 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 -6.102 -8.828 7.787 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 8.790 -2.139 7.623 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 5.796 1.054 -1.245 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 2.987 -11.908 -3.268 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 -4.126 -15.769 7.132 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 -0.554 -0.246 -0.677 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 27.159 3.532 1.122 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 -20.487 1.764 -5.664 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 3.768 -2.632 2.149 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 9.920 6.140 5.414 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 -6.319 -0.308 8.949 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 -0.339 -2.400 -2.305 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 -12.538 -16.385 8.980 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 -23.593 -7.360 -23.464 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 6.831 3.485 6.779 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 6.091 2.915 2.080 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 16.436 12.804 22.969 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 -1.693 -2.262 -0.668 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 -0.360 5.111 10.504 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 -1.813 -12.443 2.194 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 -1.107 0.123 -2.837 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 -31.897 0.680 -7.323 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 -5.283 -6.072 -4.127 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 -0.094 1.927 -2.302 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 -4.001 1.108 2.535 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 1.365 -2.346 -6.118 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 2.108 -2.250 1.117 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 14.864 -7.405 -8.675 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 -18.029 4.023 -16.465 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 6.336 0.763 -0.337 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 2.252 -3.291 -2.197 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 5.703 9.377 -21.585 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 1.702 -1.360 -1.102 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 -3.205 0.353 1.899 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 13.196 -2.065 -7.144 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 1.782 1.484 4.399 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 4.297 9.318 -35.741 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 -7.247 5.576 41.988 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -0.633 -4.167 3.147 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 3.068 -10.098 -1.299 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 -11.763 12.613 11.260 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 1.516 1.394 -2.863 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 10.309 -19.609 8.659 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 22.159 17.402 -8.702 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 -3.495 -4.716 1.683 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 -0.675 -4.503 16.709 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 -9.138 -3.438 31.826 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 -0.805 -0.884 1.522 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -19.906 17.432 -30.423 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 -6.263 8.070 -17.560 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 -2.979 0.414 0.273 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 12.877 -1.844 10.602 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 -10.695 23.570 -4.537 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 2.313 1.990 1.730 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 3.083 -15.897 -6.292 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 12.191 2.912 10.755 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 4.291 1.359 -2.968 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 6.203 -4.219 -0.746 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 2.887 4.537 1.664 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 -3.788 3.064 1.811 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 -10.965 -2.822 16.213 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 -2.987 3.263 -2.514 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 -2.485 -3.096 -4.466 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 -4.234 -10.107 -10.982 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 -1.803 -3.986 22.322 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 0.401 -0.714 -1.163 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 8.091 -16.849 -0.234 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 -0.190 2.871 -22.977 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 2.639 1.600 0.457 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 12.103 -0.522 -11.467 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 8.897 0.847 11.251 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 -8.261 -1.928 -4.489 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 -7.239 18.084 -12.955 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 -11.053 -20.751 26.016 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 2.712 -1.000 5.027 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 7.995 -3.594 1.041 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 5.024 -15.332 -16.491 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 7.848 0.403 3.480 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 -0.037 -6.758 -1.354 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 24.753 6.770 20.455 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 1.304 -10.615 -0.555 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 5.755 -0.863 22.542 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 -1.967 3.210 3.994 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 -0.169 10.864 0.250 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 -1.477 15.175 -6.561 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 -4.131 18.256 9.081 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 -6.075 -1.883 3.191 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 6.399 -3.990 -0.506 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 -34.551 3.996 19.074 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 -1.596 5.515 4.980 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 -26.661 3.230 -7.552 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 3.646 6.634 -1.673 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 -2.356 -4.345 3.306 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 5.799 1.963 -0.789 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 1.782 14.725 -4.593 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 1.882 -8.944 4.721 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 11.884 14.418 -4.458 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 -9.982 -17.076 -9.505 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 0.730 5.498 5.987 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 0.201 5.629 7.223 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 1.416 5.134 3.641 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 -4.091 3.986 -5.760 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 -0.370 5.004 -4.656 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 -1.409 -12.062 -14.349 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 -5.463 5.835 -0.598 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 -15.257 9.916 -4.735 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 -13.199 -21.495 31.364 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 -0.404 -1.259 0.929 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 -8.806 2.722 -4.189 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 9.654 7.524 -0.647 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 5.158 5.954 1.442 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 10.216 4.505 -2.098 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 8.287 4.992 -0.784 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 -0.236 -2.092 -2.818 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 -20.379 -0.474 -5.710 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 -15.756 13.273 7.334 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 -6.732 6.687 7.959 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 -2.285 -4.038 0.019 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 -6.373 11.297 14.116 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 -4.650 1.726 2.208 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 -5.243 4.184 -26.928 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 -5.472 2.169 -4.397 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 1.775 0.486 -4.482 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 1.545 -17.935 -6.020 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 1.944 1.555 -4.580 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 -4.617 -8.010 2.049 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 2.434 1.137 -9.140 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 -4.790 -22.987 -4.868 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 3.260 0.912 1.005 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 20.937 -3.779 -19.681 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 -6.239 1.263 5.494 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 3.154 2.701 1.405 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 -9.703 -16.532 -10.001 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 -10.842 -9.163 -11.098 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 1.176 2.710 -4.567 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 7.203 -4.836 -14.529 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 -9.637 6.032 1.427 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 -6.462 2.597 -8.691 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 -11.396 3.201 7.561 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 3.306 4.886 -6.901 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 -4.460 -0.821 -8.453 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 14.322 0.482 -18.978 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 6.345 -22.735 12.878 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 -3.569 5.804 1.199 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 -0.880 14.048 5.465 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 5.378 1.981 1.321 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 8.033 1.426 -8.039 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 5.101 -7.304 13.026 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 -0.129 28.789 -46.812 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 1.092 -2.809 2.202 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 4.925 19.391 8.195 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 -0.957 -22.178 -3.525 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 -0.742 7.420 -4.213 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 17.759 -3.584 23.730 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 2.823 11.747 -7.978 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 2.543 -0.986 -2.769 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 -4.697 -11.560 -11.273 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 -6.229 -12.811 -4.085 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 1.761 1.045 -1.391 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 5.078 7.569 5.363 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 -4.843 4.469 -0.383 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 3.562 2.863 0.230 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 4.992 -11.150 -18.637 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 8.902 -6.221 16.223 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 5.582 -1.254 3.038 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 21.996 -2.964 -7.442 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 5.961 -15.214 13.828 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 6.134 -1.292 5.090 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 14.625 -1.466 18.755 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 -19.760 3.385 -11.154 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 -2.088 2.288 -5.458 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 -6.204 0.848 8.386 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 -9.613 -7.112 -1.394 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 -4.722 -0.527 -1.031 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 -7.288 -2.354 -8.268 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 -4.566 -6.731 2.840 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 -3.508 -0.163 2.431 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 -0.532 -2.444 6.842 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 -3.734 -0.202 3.948 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 6.392 -2.829 5.515 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 -12.040 11.439 4.817 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 10.712 -7.301 6.497 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 -2.412 -0.792 1.406 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -8.929 2.637 3.045 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 0.069 1.031 2.576 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 -1.801 3.842 -1.295 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 -8.098 -13.755 13.207 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 -0.174 11.169 -13.955 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 1.370 -0.071 2.602 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 0.621 -5.131 -20.153 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 2.756 -15.880 6.342 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 1.891 1.325 -2.644 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 9.933 3.438 -8.287 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 -7.059 3.811 -15.500 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 -3.355 -1.659 -1.562 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 6.400 -9.752 -15.473 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 -5.465 -4.488 0.052 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 4.004 3.888 3.711 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 -1.907 4.156 15.939 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 -1.730 7.623 -2.496 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 -0.114 -5.293 -0.113 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 6.115 -2.084 -9.086 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 -15.986 8.520 1.459 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 4.697 -2.340 -3.409 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 11.429 -1.401 -8.576 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 11.096 -1.631 -7.381 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 -5.157 -2.013 -1.390 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 -19.712 -8.200 -16.360 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 -11.920 -3.602 -4.266 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 0.067 1.754 2.252 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 -13.297 5.315 -13.725 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 23.069 -13.394 -5.925 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 -7.198 3.406 -0.318 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 -21.063 -9.279 20.882 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 15.983 15.406 -19.233 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 4.079 -2.314 6.303 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 -12.723 -13.650 -14.502 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 15.284 43.041 10.931 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 -3.576 5.343 -1.457 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 4.379 -10.463 -8.656 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 -21.592 -14.860 -17.635 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 -2.095 -3.691 -4.891 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 0.032 -2.459 -15.661 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 20.725 4.956 -10.002 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 2.035 -2.069 -0.482 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 1.901 -0.176 -0.153 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 2.219 -5.205 -5.202 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 -1.266 -3.685 -4.657 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 -17.951 -9.355 -1.086 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 14.423 1.754 -7.406 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 -1.704 -0.569 -0.407 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 -2.440 4.468 -2.834 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 7.107 2.438 -3.224 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 -0.881 3.834 -1.706 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 4.633 -5.722 25.019 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 11.163 -33.223 -24.163 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 0.767 2.276 -2.904 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 -4.534 4.216 3.651 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 9.574 -1.838 -7.164 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 5.051 -3.856 -0.381 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 4.838 -19.050 -16.472 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 -3.491 -1.838 9.320 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 1.375 -3.129 -0.883 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 -5.754 -7.219 -8.095 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 -26.627 9.654 21.460 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 -5.801 7.383 0.414 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 -18.653 -7.650 2.654 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 6.380 12.060 10.518 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 -10.324 3.191 3.948 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 11.618 1.751 -0.682 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 -2.242 13.000 -4.844 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 2.749 4.666 2.588 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 -0.716 -0.118 8.704 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 7.465 -1.737 0.424 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 -1.993 5.718 -1.833 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 -13.439 13.226 21.574 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 -0.137 11.560 8.858 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 7.924 -3.869 0.293 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 -15.146 -9.412 -2.476 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 12.884 -3.592 -22.208 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 -3.816 -3.718 -0.782 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 -16.593 2.851 8.463 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 -3.451 8.965 -1.801 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 -4.688 -3.014 0.821 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 -12.587 -35.616 -24.151 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 -0.042 30.538 -33.565 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 6.304 -3.326 -5.721 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 10.909 6.147 -4.561 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 4.841 -4.468 -15.166 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 5.811 8.051 3.525 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 -20.667 13.146 -31.517 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 -13.809 16.686 11.163 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 -1.051 -1.200 -2.179 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 -2.121 -9.585 -24.287 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 -5.934 1.560 4.922 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 -0.050 6.163 3.457 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 -1.115 -2.534 -6.945 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 7.563 3.201 5.340 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 3.842 -1.354 -3.046 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -1.430 10.138 -4.142 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 -6.320 -9.548 -2.859 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 2.074 -1.870 0.951 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 12.147 4.388 -0.682 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 -31.921 -8.948 -8.482 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 1.083 8.792 8.119 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 0.680 5.310 8.062 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 0.262 0.969 -0.577 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 1.724 4.592 -0.538 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 23.696 23.676 4.260 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 6.732 -20.700 47.350 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 -6.638 -1.613 -1.353 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 -1.014 -0.033 7.529 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 10.616 -16.483 1.817 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 3.010 -7.273 0.030 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 7.768 -14.449 0.630 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 -1.653 -1.016 -5.271 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 -2.665 -7.557 -0.522 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 8.354 2.192 -12.277 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 -12.553 -2.023 6.315 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 -1.897 2.446 -4.147 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 -2.659 -31.848 -19.199 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 9.517 13.133 18.594 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 7.314 4.285 1.554 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 -2.336 -8.043 5.681 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 0.089 -4.769 4.513 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 0.634 -0.852 -2.170 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 9.118 1.093 7.543 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 7.618 -1.181 -6.159 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 -0.956 3.594 -8.852 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 -2.516 -4.579 -6.993 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 -11.910 -10.689 12.173 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 1.539 5.383 -7.904 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 9.662 9.912 6.500 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 -8.791 -8.635 -30.172 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 8.755 5.926 1.378 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 21.862 14.858 30.540 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 -1.518 -25.499 11.221 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 -4.397 2.878 2.283 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 -15.748 11.018 -5.490 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 -1.537 -0.148 -5.062 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 2.692 6.680 0.248 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 3.827 11.102 14.718 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 1.335 4.014 -5.166 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 -1.155 2.379 0.636 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 -3.074 -1.270 4.166 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 1.669 1.800 -3.491 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 0.402 -1.113 1.895 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 0.067 3.097 -6.057 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 6.141 0.410 3.357 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 -2.842 -3.414 -6.492 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 3.173 15.823 10.058 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 -8.174 -13.593 -11.550 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 7.218 -5.623 0.767 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 0.743 2.068 15.537 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 17.030 -13.039 -7.099 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 -0.230 0.390 -4.989 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 -3.035 6.193 -0.665 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 20.448 -25.659 -15.961 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 1.083 -5.301 -1.788 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 7.490 -16.144 -5.629 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 -12.703 -9.270 3.431 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 0.084 8.569 -4.682 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 -3.510 -4.276 12.483 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 19.196 -0.705 -10.089 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 1.127 0.710 -2.802 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 -15.384 22.936 -23.814 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 -1.407 18.020 2.791 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 -0.891 -0.080 3.289 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 0.085 -0.652 12.942 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 1.861 1.743 4.407 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 6.444 1.480 8.367 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 1.173 -22.842 -10.151 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 -14.333 -16.963 7.478 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 -2.169 -0.513 6.825 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 -21.714 -0.270 -10.782 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 -0.332 22.143 -0.932 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 -3.340 -2.511 -4.194 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 3.314 -5.987 -6.935 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 -9.371 -6.902 -2.666 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 2.921 -3.302 2.284 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 0.676 -11.061 10.945 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 17.315 -7.917 0.397 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 2.145 -1.800 -0.051 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 20.562 8.618 2.795 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 -19.330 20.102 19.155 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 1.510 1.809 2.343 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 -9.911 16.647 1.206 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 15.997 6.226 -9.915 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 -2.698 0.044 -4.916 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 -6.557 -7.245 -11.845 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 1.352 8.819 3.185 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 6.423 -2.220 4.414 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 -9.559 7.472 -4.127 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 -1.777 7.088 22.957 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 -2.131 -5.080 1.925 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 -9.451 -1.953 11.038 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 -6.288 -8.381 2.099 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 -0.028 -3.944 2.450 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 -28.730 -16.467 54.964 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 4.066 -5.849 9.148 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 0.201 1.961 -0.750 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 -0.535 4.701 1.425 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 -7.315 -10.952 5.287 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 -1.286 0.074 -7.499 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 28.699 -13.906 24.380 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 -1.708 2.572 -3.153 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 -4.484 -2.083 5.228 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 0.771 10.291 18.714 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 -9.001 -4.655 -0.858 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 5.035 0.984 -7.685 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 -19.077 4.764 3.125 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 0.295 3.278 -6.885 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 0.443 -1.936 -5.123 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 -8.715 0.836 10.054 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 -9.790 4.210 1.567 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 3.767 0.127 -1.069 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 4.015 -4.467 17.420 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 2.859 -18.856 -18.465 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 0.399 5.377 -1.884 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 7.457 9.840 -1.746 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 -3.430 1.711 -3.435 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 3.505 -2.614 0.436 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 -5.735 -40.835 4.996 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 8.701 18.228 -0.390 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 -7.897 1.712 -10.892 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 21.342 10.207 11.614 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 -11.036 3.646 -15.856 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 5.113 6.977 -5.852 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 -5.719 26.232 -11.489 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 2.098 9.670 -12.209 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 -4.876 -2.076 3.082 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 -14.987 -0.558 -0.673 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 -14.379 -9.197 13.644 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 5.198 -0.307 4.646 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 5.757 -0.220 3.893 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 3.531 -4.767 4.489 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 -4.676 -0.625 1.459 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 -13.949 2.332 11.000 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 38.042 -30.023 -12.917 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 -0.917 -0.372 5.067 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 20.503 -5.506 -14.558 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 4.533 1.771 2.997 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 -0.706 0.381 1.356 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 -24.018 18.861 -8.386 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 -5.522 -24.333 -7.251 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 0.484 -4.112 1.416 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 0.788 6.490 -3.934 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 8.315 -13.387 6.788 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 0.042 -4.610 -9.434 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 -5.935 -3.323 31.035 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 7.186 0.416 4.437 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 5.694 -0.901 3.160 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 -3.785 -12.664 -8.860 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 10.687 -11.953 2.778 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 4.236 3.122 0.374 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 2.146 -0.584 -2.255 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 7.755 8.299 3.639 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 2.010 -3.532 -5.739 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 -11.769 -9.996 -1.409 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 9.844 -6.569 -4.801 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 -13.683 -8.891 -4.547 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 -11.226 -6.398 -12.012 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 -12.201 5.896 -12.126 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 -0.417 -4.133 -0.540 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 -26.261 -3.172 4.415 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 4.784 -6.890 -3.332 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 -7.271 0.183 -3.254 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 11.785 -0.398 -5.136 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 -6.709 6.511 11.528 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 4.809 -5.716 4.156 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 -4.150 -17.376 -18.238 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 22.142 15.483 -2.734 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 5.896 -3.557 -3.225 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 -5.836 16.454 1.510 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 8.388 3.686 6.148 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 0.490 5.004 -3.194 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 31.901 -5.211 22.410 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 -8.132 -4.230 -0.189 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 4.886 -6.039 6.383 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 -11.957 11.137 9.012 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 2.205 -8.859 16.736 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 3.402 -4.022 -3.699 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 3.437 -14.826 -5.070 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 -4.861 -0.534 -10.060 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 -2.914 3.787 0.674 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 -15.017 2.953 14.693 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 -1.467 12.746 -11.331 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 -0.374 -1.467 -0.494 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 -4.137 21.871 -10.175 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 -26.961 -10.287 17.312 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 4.476 1.268 -2.229 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 -14.643 14.892 15.306 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 9.088 -2.204 -1.511 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 -1.649 -0.914 -2.966 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 -12.714 -7.381 -15.913 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 -4.437 -6.146 -0.295 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 7.694 6.933 4.009 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 4.868 -30.776 1.630 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 -26.232 -15.241 7.974 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 -6.779 -0.746 -2.057 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 -4.488 -2.332 -1.894 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 -6.997 31.555 -10.236 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 2.389 -5.461 -0.041 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 -11.543 13.709 3.353 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 14.986 4.542 -1.068 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 -7.266 0.439 4.363 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 7.062 9.071 7.551 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 -9.999 4.271 -12.749 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 -5.279 7.863 7.527 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 -2.831 13.778 17.975 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 -8.005 -0.901 1.996 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 -4.536 -4.013 3.139 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 15.151 32.191 -23.126 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 15.565 -33.852 -4.829 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 -0.357 -2.014 -0.818 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 5.582 -10.635 -12.064 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 12.391 4.208 5.174 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 0.355 4.297 -0.770 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 -4.165 10.013 -6.365 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 1.894 2.139 1.214 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 -2.246 -9.058 3.920 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 -8.743 -17.547 4.260 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 -5.040 1.025 -19.296 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 2.258 -2.157 -7.237 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 10.325 3.899 -7.768 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 -19.573 -9.177 3.260 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 0.931 -1.375 1.053 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 28.256 -0.359 -17.928 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 -4.626 -8.278 -0.573 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 4.135 2.930 -4.687 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 7.417 -1.206 -8.026 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -3.026 5.020 1.271 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 -1.465 0.326 -0.623 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 13.881 12.535 -16.800 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 -8.167 -11.779 10.131 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 -1.485 5.089 0.312 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 -2.961 -2.992 -6.617 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 29.484 -12.129 14.216 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -2.039 3.556 6.469 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 -27.545 3.361 -28.968 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 16.881 6.327 -17.102 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 -0.278 -6.906 -4.341 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 -1.735 -2.524 -6.680 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 13.145 -7.530 -9.122 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 -1.142 -4.243 -3.781 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 3.961 -1.241 20.231 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 0.181 14.061 8.138 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 2.411 3.363 4.411 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 -11.893 0.122 3.446 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 -4.626 12.326 2.788 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 -2.289 -2.165 0.081 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 -1.829 -7.457 -14.405 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 -3.902 -8.775 -1.698 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 -4.677 -1.159 -5.413 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 -1.806 -4.666 -3.718 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 -23.777 -1.311 11.569 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 -4.856 -1.354 -0.398 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 -1.749 -5.205 -0.240 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 7.814 -14.475 -1.006 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 4.162 1.374 0.746 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 -1.676 0.738 -2.324 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 13.939 16.762 -4.966 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 -2.277 2.059 -1.535 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 21.419 0.360 10.511 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 19.874 -8.434 9.021 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 0.306 -12.606 6.512 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 9.137 -0.478 -14.301 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 -1.743 -24.873 19.353 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 -0.781 4.099 4.587 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 1.054 15.963 8.373 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 12.248 4.675 3.442 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 3.309 -0.856 7.603 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 1.708 -4.989 12.049 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 6.689 -2.359 -3.558 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 -8.801 1.441 3.676 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 2.599 -5.252 14.183 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 22.270 30.853 -0.901 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 1.612 2.280 5.716 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 -5.215 -2.117 7.536 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 -15.654 8.396 -9.511 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 -2.384 1.413 3.832 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 20.659 -19.912 9.798 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 -14.236 9.206 32.329 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 4.326 0.774 -3.988 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 11.341 5.712 6.452 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 12.401 10.618 -8.007 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 2.152 7.037 -6.969 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 11.928 -9.699 15.850 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 6.717 -5.632 2.401 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 -2.768 -6.831 1.997 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 -9.563 -31.964 -1.281 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 8.806 11.629 -5.076 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 1.071 1.275 2.568 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 -3.855 11.723 -14.927 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 0.518 -8.060 42.507 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 0.362 0.923 5.408 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 0.357 -4.358 3.329 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 13.154 -8.627 6.461 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 1.275 -2.871 -0.274 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 -7.063 4.705 -9.926 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 13.397 -10.751 -11.562 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 1.589 1.841 -5.659 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 9.755 -0.505 -12.751 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 -18.392 13.806 17.564 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 3.137 5.098 3.755 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 19.614 6.847 12.539 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 6.131 10.848 -14.080 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 4.895 6.794 3.831 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 15.647 27.959 1.211 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 10.251 23.394 -0.579 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 3.794 3.318 -4.443 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 13.489 -0.112 0.023 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 -6.934 -4.052 20.572 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 -0.641 -1.489 2.668 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 5.010 3.783 4.040 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 -5.987 -7.262 7.702 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 -2.239 4.066 1.911 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 -12.511 24.509 -14.901 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 30.250 -10.658 -19.135 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 5.288 -5.135 -5.837 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 4.197 -10.334 -7.366 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 11.812 -29.204 -12.231 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 -2.099 2.285 4.566 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 -1.585 4.401 -7.787 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 4.075 -3.694 15.955 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 4.139 -5.046 3.249 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 -8.812 -14.256 7.043 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 -25.302 -4.567 3.595 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 -7.105 -2.087 2.221 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 -3.109 7.995 -16.838 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 -7.047 3.564 -5.239 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 2.453 3.040 -4.590 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 6.159 -6.221 -9.454 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 2.835 -4.306 -10.293 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 -2.948 -1.724 3.989 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 7.942 1.723 9.140 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 -9.382 2.355 -9.922 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 0.150 2.686 -5.179 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 5.323 17.634 -23.644 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 7.562 -23.978 27.968 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 -4.132 -1.336 2.432 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -10.870 -13.081 -9.432 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 -6.117 -24.047 4.533 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 11.691 -5.115 -3.479 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 -0.714 -22.954 10.365 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 10.260 -8.917 -1.533 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 7.572 0.271 1.104 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 8.466 -9.816 -8.415 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 3.429 -13.359 -20.734 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 0.260 -6.354 5.605 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 16.210 -7.714 10.945 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 -10.392 7.429 2.395 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 2.388 7.360 0.688 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 -1.322 9.896 2.888 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 2.529 1.362 -4.078 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 -4.392 -0.669 -3.027 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 -2.384 -4.739 7.833 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 -16.724 -16.940 -5.562 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 -1.795 0.762 5.322 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 2.365 1.432 12.841 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 -1.922 -5.073 3.406 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 1.790 -6.213 1.917 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 15.876 -27.205 -20.450 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 7.375 -4.981 0.741 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 6.257 -2.164 -2.308 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 -11.987 -0.598 -4.647 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -8.961 17.951 22.021 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 0.397 -4.216 4.506 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 -5.168 -3.986 4.752 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 3.629 17.714 -6.703 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 -2.888 -1.098 -2.644 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 -13.607 -3.299 8.640 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 -9.896 9.100 -10.605 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 6.793 -1.993 2.936 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 7.056 -3.816 16.940 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 -11.865 4.067 -7.821 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 0.442 -0.401 -1.198 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 4.497 2.699 -10.766 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 2.026 1.528 -0.587 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 -2.724 -0.573 5.411 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 -9.895 -4.612 17.379 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 -12.442 -9.476 10.985 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -2.761 -1.881 5.152 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 -6.407 6.841 -17.337 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 -7.178 18.949 23.368 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 1.291 -0.295 0.638 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 19.013 4.274 -7.063 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 7.917 4.927 -0.290 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 -2.668 4.886 -1.991 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 8.200 -29.501 -5.150 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 -10.051 -4.205 -23.174 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 -0.509 0.026 -0.123 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 3.077 -0.792 8.589 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 5.661 5.857 -4.150 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 5.489 1.629 -3.950 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 -3.000 14.474 -3.345 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 15.448 -15.404 -4.204 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 -2.503 -4.326 -1.519 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 10.885 0.703 17.032 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 -14.825 16.733 -10.885 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 -3.426 2.546 -2.513 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 -4.660 5.391 -6.303 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 -0.990 -0.708 -3.663 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 8.603 -5.292 3.447 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 1.966 8.553 -6.485 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 5.240 1.368 -2.063 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 0.030 4.601 1.033 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 1.022 20.573 -15.683 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 14.870 -12.683 -2.105 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 0.991 2.917 -1.282 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 -6.237 -3.666 -12.781 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 18.766 0.357 5.850 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 3.618 -4.592 9.316 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 -12.498 -3.529 23.464 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 18.932 -4.898 -8.072 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 3.127 -2.560 -3.274 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 3.327 3.661 -8.211 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 13.822 8.893 13.484 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 -1.131 -3.156 4.757 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 12.989 -8.147 5.657 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 -27.497 0.286 -2.745 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 -2.211 2.786 -4.360 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 5.242 6.909 -6.095 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 5.683 20.625 -4.170 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 -10.445 1.295 -1.607 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 4.464 -5.448 1.241 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 -8.948 -7.622 2.890 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 2.136 -1.301 -1.975 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 0.751 5.107 10.842 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 3.183 -8.025 -10.238 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 3.177 -0.164 -3.494 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 -15.928 -2.935 -19.395 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 -3.125 15.189 10.174 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 -0.664 3.256 -2.679 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 11.443 -8.074 -0.275 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 4.057 -23.948 8.790 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 -2.178 -1.222 -7.155 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 19.690 -5.939 20.152 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 7.106 -5.786 30.968 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 15.813 1.993 -0.911 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 -2.005 -1.405 28.043 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 -16.462 10.476 -17.975 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 0.368 -1.627 2.377 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 15.004 -3.838 -5.984 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 -4.173 14.286 -4.154 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 -0.556 5.616 8.015 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 -5.808 1.828 19.631 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 -10.479 25.179 7.530 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 -4.727 0.508 2.153 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 -0.296 -4.358 23.865 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 2.227 -12.441 6.925 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 1.344 4.321 6.329 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 3.585 -0.956 0.250 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 -10.453 12.959 4.735 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 1.281 3.470 -0.532 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 10.089 11.992 -0.421 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 -12.416 -12.244 2.576 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 -4.111 -4.039 -1.570 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 13.243 20.445 -30.575 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 -13.872 -14.147 11.301 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 -6.365 -1.190 2.362 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 -19.763 23.558 -1.420 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 9.954 -21.117 -16.057 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 -3.209 5.162 -8.405 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 2.656 7.099 -17.477 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 -0.487 9.309 -11.223 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 -3.966 -8.695 1.871 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 13.979 1.613 20.552 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 15.784 -3.864 -18.868 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 1.692 2.805 -1.844 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 -27.233 -3.575 -21.556 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 21.284 -1.631 18.666 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 4.013 0.152 -1.956 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 13.938 19.205 7.680 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 11.215 0.279 -24.667 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 0.669 -4.328 -2.280 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 -9.919 2.412 -2.422 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 -7.446 26.271 -15.964 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 -2.720 -1.569 2.981 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 1.389 9.410 1.910 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 9.393 3.175 14.587 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 -1.204 4.958 -3.776 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 -4.635 -2.304 -34.426 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 -1.140 -4.505 16.389 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 0.736 -4.408 -2.196 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 15.139 -9.187 4.533 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 -4.004 5.755 -2.869 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 0.468 0.609 0.345 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 18.988 -1.015 9.664 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 29.061 4.708 24.416 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 3.173 8.290 8.459 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 1.056 -5.069 11.483 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 -1.293 -13.676 -6.718 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 1.584 -4.282 -0.674 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 -17.721 8.039 -1.195 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 -9.625 -5.544 -8.246 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 -0.490 5.400 9.268 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 -1.200 3.426 8.781 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 2.927 8.398 4.525 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 5.492 3.111 -4.541 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 5.119 5.003 -3.496 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 3.581 4.564 -2.874 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 3.049 -0.669 -2.512 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 -4.558 3.373 9.936 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 1.770 21.854 24.593 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 -5.058 3.105 -4.154 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 4.050 -3.564 -10.907 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 -3.366 -12.845 -8.852 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 -1.609 -4.146 -2.345 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 4.232 -14.632 -0.693 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 -1.130 3.432 6.232 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 2.634 -2.927 -11.782 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 5.207 -5.729 -16.078 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 -5.980 -7.204 -8.777 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 -0.399 -1.197 0.927 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 1.549 7.030 -9.006 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 1.145 -4.361 0.579 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 -2.855 -3.486 2.428 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 -6.995 -0.165 -8.494 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 -3.399 10.932 -7.000 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 1.365 2.008 6.155 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 4.310 22.091 -4.033 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 -10.902 8.574 8.925 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 3.053 2.728 0.681 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 -0.558 -4.360 2.906 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 11.899 1.702 1.459 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 -1.024 0.328 0.617 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 2.701 0.515 1.956 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 2.698 -1.897 5.377 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 -0.840 3.649 -2.666 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 17.300 -12.625 -1.055 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 9.702 20.750 -14.958 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 3.987 -2.335 -1.286 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 9.650 -0.014 -11.662 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 0.333 -3.299 -3.435 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 -2.033 0.694 3.862 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -5.719 -0.904 -2.111 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 6.506 -7.609 7.230 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 5.400 -4.281 -5.203 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 0.467 -4.822 -11.291 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 -7.745 4.166 -5.831 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 -5.769 0.388 -0.887 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 -2.030 10.851 1.092 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 -3.008 -6.934 -20.248 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 -3.346 4.360 2.090 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 2.141 1.533 -1.321 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 -23.140 15.555 1.827 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 4.741 -2.718 10.718 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 -10.996 -29.029 -0.615 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 8.977 0.965 13.112 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 -4.367 -6.309 -5.423 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 -2.824 15.897 6.772 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 -4.869 4.220 -4.809 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 5.593 0.451 -6.058 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 2.624 4.600 11.473 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 -25.538 -4.328 -0.921 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 -3.476 -3.030 -0.898 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 -21.280 13.304 -18.673 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 12.598 -8.099 -16.486 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 -5.767 1.573 1.346 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 11.128 -7.435 14.784 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -4.123 -5.204 5.481 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 0.170 -1.687 5.531 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 3.507 -4.092 -11.124 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 12.263 7.456 12.794 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 -3.788 -6.477 8.388 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 2.457 -2.420 15.480 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 13.457 -2.630 16.360 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 -0.115 2.075 -4.721 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 7.291 7.197 6.019 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 -2.863 1.615 -7.099 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 4.717 -2.561 -4.213 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 6.620 -1.649 -7.903 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 10.945 28.931 -31.449 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 -2.179 4.269 -7.623 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 -7.022 6.839 0.758 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 5.253 -8.647 -13.427 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 -0.293 0.600 -9.160 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 9.425 -0.178 -4.714 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 2.680 5.721 -13.274 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 -2.762 -2.014 0.030 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 0.286 12.495 0.722 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 -3.428 -7.350 -1.198 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 -1.660 0.468 4.086 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 -15.061 11.005 7.633 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 5.349 -0.877 -7.515 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 -3.198 4.032 -7.755 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 18.961 20.669 -10.444 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 7.057 -26.350 0.626 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 -4.175 -2.009 -4.187 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 15.544 -0.700 -13.224 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 1.510 3.707 21.931 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 -0.907 -1.992 4.257 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 4.028 -29.557 -1.054 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 -1.353 -16.518 -7.330 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 -6.281 -1.896 4.398 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 7.201 -5.130 8.728 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 -7.563 -0.716 4.551 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 -1.403 -3.360 -2.493 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 -12.970 -9.977 -1.822 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 -13.915 6.446 -8.786 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 4.664 -0.830 2.715 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 3.334 -10.878 -7.523 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 -6.056 19.957 -25.782 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 -4.086 8.022 -10.690 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 4.664 7.390 -11.627 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 -6.801 1.980 -14.015 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 -6.149 -5.305 -1.098 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 -1.363 -5.796 -11.838 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 3.751 -3.324 8.104 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 -1.195 -2.390 5.635 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 -24.310 2.071 2.683 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 -11.169 -14.328 -6.252 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -1.010 5.691 5.023 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 -25.492 -19.798 -24.251 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 -11.678 -0.674 -16.323 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 -2.463 4.159 -0.693 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 6.935 12.837 7.739 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 12.724 20.263 10.016 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 -2.984 5.412 -6.977 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 -2.074 7.140 -18.050 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 -14.236 14.725 -25.006 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 -5.814 4.375 -3.510 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 2.132 -16.362 7.666 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 -8.698 -2.714 -3.739 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 7.938 -2.118 2.422 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 -2.892 10.624 -10.830 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 -2.091 0.414 -0.084 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 0.823 -6.113 2.745 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 1.392 -12.871 5.345 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 3.472 -8.917 -5.460 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 2.643 -0.618 4.548 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 -2.182 -0.234 7.876 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 -9.434 -9.405 3.594 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 1.414 5.115 1.236 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 5.717 -11.004 -23.774 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 -1.754 4.249 0.246 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 -5.521 4.602 2.799 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 -1.931 -19.204 -7.762 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 -3.207 0.242 -6.743 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 -8.758 2.982 -3.463 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 -21.115 -1.190 20.358 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 -7.431 -10.687 -6.463 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 -1.327 2.097 9.176 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 -7.075 -14.605 13.878 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 1.270 18.153 24.872 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 0.665 -2.432 -15.818 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -0.983 21.467 -9.871 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 -4.807 7.681 -9.238 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 4.755 1.730 -1.483 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 0.205 -25.049 -20.134 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 9.840 18.418 -12.458 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 -0.451 4.287 3.964 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 6.854 -7.945 11.211 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 1.547 13.670 12.456 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 1.129 0.077 2.827 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 -3.928 -9.025 -0.920 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 -1.696 -5.359 0.618 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 -6.604 -2.803 -1.321 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 17.005 -7.099 -23.380 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 0.068 -4.787 -24.300 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 1.905 -7.414 -2.338 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 -7.432 -5.280 -8.493 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 -4.146 -4.253 -5.503 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 5.161 0.409 5.904 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 23.010 -3.623 28.733 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 -18.619 11.865 2.332 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 4.569 0.339 -6.015 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 -19.317 11.210 -15.724 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 -3.285 -16.808 -49.624 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 -2.832 7.488 -2.830 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 -16.797 -0.682 17.101 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 1.316 11.497 -0.475 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 -1.417 -7.964 -2.696 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 -9.203 -2.329 6.181 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 -9.190 -1.476 9.112 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 4.240 -1.280 -2.356 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 9.351 -11.566 14.057 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 5.380 5.050 7.007 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 -3.310 -3.442 -6.797 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 -19.119 -16.147 -10.192 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 1.505 24.429 -11.245 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 -4.198 2.280 -2.322 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 3.889 8.662 5.204 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 21.285 26.558 14.985 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 -5.549 -2.630 0.991 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 -1.381 0.096 -11.808 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 3.410 -8.332 8.474 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 2.626 2.991 1.098 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -2.865 10.905 0.188 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 -2.860 14.924 -6.367 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 -2.719 3.360 -2.649 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 2.596 -11.427 -7.173 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 -3.503 0.524 22.303 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 -3.547 -6.461 4.932 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 -7.374 6.290 10.633 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 10.466 -6.288 -1.094 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 6.666 -7.092 -4.524 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 8.886 -17.592 9.085 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 -7.184 -2.365 -22.888 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 5.875 2.910 1.832 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 4.228 0.027 1.086 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 6.685 4.562 3.013 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 -4.799 2.353 -5.710 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 11.231 8.752 -14.758 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 -18.409 -6.146 6.083 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 5.774 0.521 -3.508 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 5.513 8.359 -15.999 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 0.270 5.788 2.830 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 -0.029 8.017 5.020 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 -2.667 -0.588 -1.082 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 -4.342 -3.449 -2.390 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 -2.962 2.903 -6.297 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 -6.388 2.032 -5.841 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 -1.730 5.988 -1.479 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 -2.803 5.254 1.439 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 -7.388 10.350 9.827 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 -20.881 28.844 -4.181 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 0.833 -1.646 -1.032 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 5.357 2.490 -2.154 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 4.089 5.598 -4.762 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 -1.033 -4.216 2.762 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 -0.475 -0.621 8.383 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 -0.695 -11.162 -9.083 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 1.971 -2.535 -5.771 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 -1.535 1.345 -14.364 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 -22.403 -11.993 -1.062 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 0.392 0.980 1.915 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 -1.211 -24.308 -6.468 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 17.626 -13.922 -2.436 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 4.336 -3.360 -0.377 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 1.447 -7.329 -34.185 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 -0.793 -5.624 -8.360 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 -1.467 3.316 -2.742 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 -6.387 -17.011 0.788 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 10.855 -1.627 -7.539 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 -5.165 -5.492 -0.974 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 -13.116 9.228 0.935 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 -5.505 8.938 0.189 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 -3.024 -0.111 0.647 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 -0.025 3.273 -9.953 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 -6.661 9.270 32.114 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 9.498 5.948 -5.242 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 5.744 8.236 -8.879 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 7.022 1.407 -4.787 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 -1.148 -1.751 3.811 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 -2.307 -13.023 -1.979 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 2.794 10.464 -0.639 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 -6.227 0.494 -13.568 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 -6.077 6.717 -6.203 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 -14.366 16.100 -10.845 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 1.491 0.270 3.576 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 -25.379 -10.967 -13.178 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 1.543 -31.247 22.244 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 -7.719 -1.379 -1.070 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 -7.900 1.034 2.390 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 -6.621 -8.571 1.224 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 5.860 3.140 5.614 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 14.003 -13.791 5.129 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 -9.580 11.296 2.923 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 -0.992 6.038 -0.420 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 6.829 7.960 2.731 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 -1.660 4.609 -2.227 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 3.156 -0.728 1.761 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 -5.081 -12.781 3.092 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 7.948 2.600 3.709 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 -5.394 0.294 -2.875 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 -17.061 6.847 11.068 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 -19.407 3.950 4.810 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 6.296 0.771 -6.233 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 7.853 7.583 -1.530 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 13.400 -27.712 -3.688 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 -0.980 4.759 3.003 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 -5.934 -11.592 -3.945 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 8.748 6.128 -2.759 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 6.861 0.584 -2.403 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 2.461 0.503 -7.986 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 -23.281 -2.459 17.836 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 0.158 -5.590 -0.316 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 1.845 -4.191 6.736 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 -13.220 24.009 11.848 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 -2.068 1.724 -2.261 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 -16.226 -6.024 -4.989 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 -12.128 -8.789 -0.109 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 -0.432 -0.975 -2.086 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 -4.682 12.081 -9.809 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 21.853 -8.115 -3.914 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 -4.359 4.517 1.058 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 -2.490 15.790 1.114 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 -22.595 1.427 16.190 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 3.494 8.011 -8.029 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 -16.499 -2.942 11.865 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 15.023 1.839 -2.994 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 4.078 -3.543 -5.377 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 18.186 12.501 -6.304 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 -6.701 -17.688 -12.263 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -3.993 -5.301 -5.480 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 11.017 -18.975 -36.405 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 -24.660 -29.745 21.772 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 2.192 4.225 -0.387 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 -22.479 -17.733 -23.007 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 -14.488 1.413 25.433 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 3.787 1.228 2.967 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 -12.011 -12.333 -9.822 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 -9.585 4.812 23.090 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 0.675 3.065 -2.264 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 7.820 -3.257 11.367 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 -8.618 5.790 -5.698 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 -3.057 -1.951 1.567 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 -15.286 -20.099 -3.773 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 -12.790 -19.839 10.779 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 -0.087 -1.724 1.812 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 1.046 13.095 -25.316 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 -8.099 12.904 -16.970 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 9.516 -8.058 -0.622 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 -0.184 -17.185 10.693 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 6.397 -14.935 -17.989 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 -3.783 -0.678 3.608 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 -11.907 9.033 -0.831 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 6.628 -4.912 6.840 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 -1.511 4.566 3.972 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 -6.148 18.811 -9.273 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 -11.103 -10.813 -3.144 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 1.017 -0.048 3.030 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 6.964 -2.646 -3.374 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 3.117 3.729 5.419 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 -0.428 3.289 4.745 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 7.516 -2.584 -2.499 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 3.244 -1.132 4.373 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 0.282 0.738 0.233 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 3.974 -6.377 -3.627 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 -5.060 5.692 9.031 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 2.366 -3.825 -4.365 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 15.676 3.563 -7.444 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 1.313 0.527 8.280 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 -1.322 0.332 2.997 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 -16.533 -2.975 -8.201 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 6.200 -0.704 -3.418 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 -7.454 5.452 -1.842 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 -5.001 6.757 -0.290 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 -5.780 6.614 -1.901 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 7.155 -3.727 -1.219 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 -0.852 -3.840 -15.555 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 21.490 -9.359 -7.995 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 4.633 -12.970 -2.693 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 -19.607 -10.022 17.806 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 4.365 3.594 -25.510 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 -3.717 0.308 3.747 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 -15.841 -6.398 1.196 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 6.281 -10.437 2.244 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 -1.482 2.905 -2.574 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 2.404 9.336 -23.152 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 0.762 -1.181 6.052 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 0.581 -2.345 -1.730 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 5.615 -4.158 -11.247 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 -7.916 -10.172 -1.835 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 -4.022 -7.090 0.436 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 4.762 3.937 5.885 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 -10.241 -5.589 15.748 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 3.836 -1.794 1.646 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 -9.667 -13.108 10.639 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 33.126 -21.509 0.951 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 0.590 7.339 -2.036 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 -4.150 -1.379 -1.053 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 -10.162 16.642 6.425 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 -6.386 -2.985 5.168 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 -2.852 -7.225 16.978 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 15.275 1.773 17.438 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 1.736 -6.943 3.244 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 -6.488 -4.178 -12.718 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 -15.216 17.091 8.488 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 0.247 -3.855 -1.302 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 5.513 -11.436 -5.965 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 -14.092 0.600 8.975 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 4.365 -8.517 0.579 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 9.759 7.308 -9.810 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 -22.831 -8.945 3.556 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 -3.700 -9.342 1.501 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 18.044 9.991 5.082 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 16.160 -23.482 6.139 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 -0.936 -8.753 -1.875 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 4.781 -7.015 -8.890 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 -1.934 -8.584 4.148 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 -0.703 -3.720 0.210 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 -2.206 -0.319 -2.282 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 -4.336 -4.060 -5.615 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 -2.807 -5.714 3.630 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 13.309 -8.157 -14.038 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 10.140 -8.183 -5.053 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 -9.929 -0.620 11.801 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 -16.494 10.889 -1.598 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 0.377 -9.455 16.273 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 2.107 2.457 -0.849 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -30.328 9.040 -7.330 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 -6.083 -9.768 -7.658 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 -2.070 -4.154 -3.987 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 24.194 -2.243 -23.305 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 15.698 -18.260 8.867 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 3.722 11.366 -0.779 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 3.887 3.980 -6.442 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 7.235 17.745 -5.308 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 -1.406 0.490 0.769 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 -4.862 7.968 8.075 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 -7.085 -2.999 2.431 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 4.958 2.826 0.734 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 -29.912 7.886 -7.718 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 4.170 -18.068 21.624 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 -3.315 4.418 0.448 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 8.916 7.696 17.021 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 -5.493 16.959 -6.461 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 -2.749 1.813 -6.340 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 15.397 9.237 11.972 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 -2.563 1.230 -6.087 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 -0.512 0.881 -5.154 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 -18.409 -16.356 1.743 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 -2.664 -16.640 -8.765 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 -4.605 3.822 2.594 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 -5.483 14.572 3.650 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 -2.476 2.379 0.066 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 5.165 -1.931 3.692 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 0.139 -2.169 -13.787 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 -24.537 25.069 17.970 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 1.928 1.186 -4.064 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 7.604 7.100 -0.533 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 -9.047 9.378 -0.686 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 -7.077 0.959 3.196 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 1.626 4.525 14.232 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 6.155 -5.900 -6.893 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 3.328 -11.446 0.080 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 -1.519 3.098 -11.086 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 17.809 -10.730 -11.689 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 2.313 -1.677 -2.523 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 2.146 7.210 2.594 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 2.570 3.069 -4.554 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 -1.361 0.720 5.075 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 12.681 9.093 1.933 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 -8.923 -1.723 -8.983 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 2.439 -0.310 2.397 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 -12.973 5.844 3.536 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 10.384 -16.472 4.127 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 2.161 -0.528 -0.245 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 -11.364 -16.399 5.107 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 -16.601 -2.724 -16.782 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 0.014 1.375 -1.040 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 -21.986 14.022 1.959 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 9.938 -13.740 -14.432 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 -2.095 3.847 -2.437 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 -1.606 -9.013 8.861 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 17.721 -1.713 3.667 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 -6.506 5.538 4.094 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 2.301 8.243 0.221 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 -16.388 8.885 7.066 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 -0.505 0.406 1.137 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 -13.662 -5.237 2.619 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 -0.476 5.680 -21.879 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 0.814 1.328 1.003 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 7.214 1.842 0.957 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 19.314 9.968 -9.555 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 2.006 -2.118 5.741 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 7.799 -5.128 13.475 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 -5.846 4.290 -13.663 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 0.507 -5.571 2.928 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 -7.752 -15.465 -12.822 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 7.783 -10.148 17.917 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 -0.822 5.436 3.522 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 -8.538 -7.342 3.436 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 0.099 13.136 2.432 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 -1.836 -9.644 2.301 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 -10.392 -14.252 5.217 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 25.673 6.947 -10.941 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 5.414 2.988 1.777 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 -19.342 4.179 -14.248 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 0.345 -20.750 18.212 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 -7.228 4.748 -5.384 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 1.170 25.123 2.584 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 -10.147 -3.968 19.793 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 -1.421 4.149 4.346 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 2.939 8.506 -1.883 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 4.911 6.873 5.748 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 3.033 1.647 4.434 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 -14.377 1.208 -42.655 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 -28.034 5.859 -21.628 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 0.363 0.090 0.126 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 0.525 32.175 -19.575 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 4.554 -9.675 12.985 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 -1.435 3.887 3.365 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 -11.411 -6.852 0.810 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 -2.588 12.611 -2.972 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 9.618 -6.331 -1.408 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 -6.379 18.778 10.164 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 25.444 -16.002 25.721 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 3.457 -7.044 -0.453 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 -34.450 6.278 3.210 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 6.073 -24.214 -3.995 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 -0.165 3.504 1.773 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 -2.501 20.784 -13.045 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 3.832 -17.034 -13.976 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 0.458 -0.522 -0.223 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 -1.261 -18.003 10.177 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 4.068 21.731 -13.912 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 -4.068 4.250 3.338 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 -6.349 3.900 13.207 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 -12.949 7.639 -0.384 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 9.479 -2.362 2.400 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 12.952 -0.614 6.499 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 -5.573 2.383 -6.782 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 -2.500 -1.854 -2.741 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 0.431 -33.796 0.983 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 -9.235 11.740 -20.515 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 2.812 -2.242 7.116 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 -14.040 -6.077 18.915 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 0.737 -17.609 -18.665 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 -1.605 -1.692 -8.412 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 -6.289 -6.718 -7.062 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 11.436 -14.098 -6.391 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 6.367 -1.600 -4.110 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 4.937 5.728 -20.041 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 -10.496 -13.272 -5.941 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 3.473 0.337 -3.020 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 2.992 -16.955 -26.775 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 -14.074 -0.315 -4.080 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 1.059 -0.950 2.426 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 9.677 -0.666 -13.922 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -6.717 -14.768 1.031 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 -3.639 -0.360 -5.994 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 -2.327 -1.123 -5.281 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 4.510 -1.426 -6.936 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 6.331 -3.972 -4.799 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 -10.301 14.528 8.218 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 11.300 12.410 7.321 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 2.170 -1.934 -2.315 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 -7.949 -1.465 16.286 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 4.027 15.425 9.191 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 -4.159 -3.284 1.731 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 -34.996 23.048 -18.283 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 1.433 -35.525 -11.319 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 -8.868 1.460 6.472 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 21.984 0.584 -1.985 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 -29.345 8.483 -23.311 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 3.379 3.116 -7.341 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 -12.728 -10.774 -14.493 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 -24.652 -5.783 -34.588 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 3.100 2.900 -2.579 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 -10.313 -12.126 11.847 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 -15.800 -18.258 17.173 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 0.904 -2.680 4.155 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 7.668 -0.709 8.660 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 -17.684 -18.194 -1.689 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 0.406 0.595 3.728 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 -8.408 -13.915 -18.192 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 9.280 3.541 23.286 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 1.558 4.503 -0.631 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 -14.805 -5.959 -0.403 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 11.988 -6.691 -9.967 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 4.520 3.136 0.895 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 -14.176 2.411 -9.859 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 5.571 2.452 1.689 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 3.007 5.993 -3.236 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 -8.098 1.906 -19.044 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 2.678 5.271 -3.686 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 -5.406 -3.302 -2.007 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 -10.776 -3.888 3.570 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 10.171 9.985 -21.329 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 -0.096 -0.511 -4.104 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 -5.201 37.946 7.589 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 17.728 3.252 -6.836 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 4.445 2.357 2.479 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 -6.662 -7.761 13.502 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 13.448 16.757 -1.805 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 -8.396 1.028 2.054 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 -9.067 -2.910 -5.218 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 -8.909 9.650 15.778 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 -1.880 1.320 4.443 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 -9.217 -4.836 -18.719 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 -1.759 6.128 -1.322 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 -2.601 5.084 0.593 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 3.339 1.732 1.423 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 -22.528 6.584 2.771 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 -1.411 -1.145 8.213 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 -7.506 -7.497 7.810 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 -5.367 13.840 3.938 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 4.701 -1.306 6.446 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 -11.714 -9.413 -3.698 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 18.901 -22.193 15.081 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 -3.160 -3.914 7.056 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 33.027 -10.412 -0.881 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 3.879 5.561 1.185 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 2.803 -2.475 -4.541 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 2.051 2.640 -9.058 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 1.063 3.270 -1.135 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 -8.422 1.253 0.814 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 2.108 7.085 -7.590 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 -5.929 2.603 -1.397 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 -2.948 -3.628 -1.695 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 10.433 -21.518 13.439 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 -8.542 -6.292 18.649 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 3.812 -4.882 -1.000 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 5.986 -10.453 -8.911 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 0.240 2.715 10.251 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 3.850 2.112 2.791 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 -26.722 20.404 -3.182 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 -11.501 4.246 -10.429 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 -2.040 -5.045 -4.606 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 0.226 -13.564 -15.431 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 1.865 11.880 15.729 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 1.067 -2.002 2.812 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 -5.559 -6.754 -1.150 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 -11.838 -2.637 13.603 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 -0.057 -1.110 -2.483 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 -6.784 13.902 2.973 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 -15.877 -13.771 -1.699 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 0.025 11.141 1.652 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 5.627 -17.002 2.020 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 -14.088 5.808 6.094 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 -1.696 -0.924 1.978 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 -3.785 7.276 7.282 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 -22.165 -8.464 8.890 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 -0.893 1.055 0.084 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 -3.375 -6.003 -19.593 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 16.623 14.843 25.292 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 -0.329 -8.433 1.290 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 3.319 -10.462 8.989 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 -3.906 7.007 -3.707 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 -4.066 5.578 0.458 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 4.503 1.658 5.793 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 14.424 8.297 1.551 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 -2.883 -3.682 -1.777 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 -21.510 -2.063 -1.954 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 -8.970 -2.987 9.402 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 -1.503 -6.097 0.934 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 9.093 8.581 -10.980 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 -10.276 -10.543 -2.502 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 -0.218 7.411 6.876 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 24.030 -4.993 -0.132 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 27.474 -6.860 -29.968 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 -4.711 -2.307 6.551 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 11.909 -8.892 -17.685 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 6.524 9.436 -0.960 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 2.338 1.300 -1.933 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 -3.295 34.532 -19.889 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 4.194 -1.465 -20.488 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 -2.195 -2.538 2.159 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 7.837 -5.549 -1.924 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 21.560 5.841 9.092 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 2.833 4.241 -1.264 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 3.929 3.655 -1.618 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 2.798 5.481 2.956 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 1.034 -7.193 1.233 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 -11.974 13.838 -16.222 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 30.795 -5.552 -5.196 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 2.586 -2.844 5.581 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 0.677 11.061 5.366 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 7.045 -11.263 4.220 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 1.416 0.510 -2.443 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 -5.792 -5.056 -20.510 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 12.054 -5.091 -25.404 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 5.155 -0.698 -1.163 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 0.466 2.575 -2.501 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 -3.863 5.487 -9.507 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 -0.810 4.881 -2.671 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -4.986 1.584 -5.630 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 2.941 -0.522 -15.632 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 7.213 -5.522 -2.213 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 -7.679 7.334 2.097 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 11.051 -2.004 8.614 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 -5.815 8.075 -0.553 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 -11.105 12.018 9.755 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 -7.126 3.843 38.741 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 4.238 -1.858 -2.920 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 -2.133 -3.566 0.810 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 -10.840 3.022 -7.941 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 -3.863 3.186 -4.901 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 30.103 -13.399 -12.828 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 -7.483 6.346 -1.002 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 -2.785 6.470 0.187 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 14.962 13.770 6.018 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 7.123 -1.386 -13.775 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 0.209 -0.240 -1.034 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 -11.003 1.351 -29.501 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 6.044 -25.453 4.218 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 3.793 -4.267 -0.989 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 -23.434 14.981 5.659 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 21.073 3.917 -19.802 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 -1.008 -2.564 4.152 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 1.130 1.545 8.547 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 2.979 -3.499 5.429 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 1.281 2.647 -0.501 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 14.428 20.311 6.463 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 23.106 3.740 -0.664 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 -4.347 2.742 -1.357 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 -13.086 -5.662 -3.614 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 -18.188 7.481 -0.924 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 -0.636 -7.419 -1.853 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 14.536 -9.256 1.326 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 -2.993 -5.331 -3.691 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 2.882 6.863 0.709 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 6.334 12.145 5.846 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 26.153 4.148 -6.219 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 -2.094 -4.045 0.864 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 -5.661 -13.301 7.122 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 7.134 12.775 -13.223 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 1.858 -2.583 -0.295 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 18.186 -3.359 -3.015 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 -1.490 -15.296 -8.128 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 0.385 1.748 -6.529 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 -15.675 13.378 -3.484 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 -6.100 3.372 -2.422 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 1.183 -1.759 7.191 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 0.973 13.637 9.575 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 1.105 -20.805 2.715 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 -3.153 -2.567 4.782 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 3.739 -16.949 28.634 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 -1.667 1.077 -12.629 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 -4.039 5.205 3.250 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 -6.714 11.715 14.185 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 0.797 15.338 22.000 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 2.181 4.104 3.917 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 3.648 -2.104 17.090 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 17.694 4.766 6.932 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 -1.121 7.148 -1.716 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 -7.177 1.155 13.777 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 -4.147 4.137 3.356 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 2.107 -1.406 -3.826 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 9.874 5.214 -7.835 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 10.543 11.523 2.603 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 -6.804 -0.851 -4.261 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 -5.204 10.922 20.889 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 -7.816 21.527 31.558 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 1.168 1.693 -1.462 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 4.368 13.756 4.327 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 -7.991 7.915 -12.355 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 2.778 -1.977 3.357 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 17.551 4.421 -5.639 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 3.765 -17.039 4.385 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 0.587 0.652 0.476 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 -20.507 -3.633 -9.266 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 6.864 -4.851 -7.521 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 3.486 -2.452 3.070 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 2.480 5.135 -9.609 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 2.071 1.720 21.629 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 4.758 -0.617 -1.074 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 6.643 7.487 -9.606 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 22.854 14.709 22.123 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 -0.762 -8.625 1.021 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 1.215 -23.601 0.704 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 -10.225 -3.221 -12.738 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 1.332 -1.876 2.833 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 -9.177 -24.355 7.035 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 1.455 -4.525 0.368 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 0.754 1.898 4.944 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 -12.749 2.185 -14.996 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 0.694 -5.428 16.119 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 0.236 -0.362 4.660 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 29.704 -7.611 5.920 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 17.062 -14.825 14.696 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 -3.286 -4.807 0.124 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 26.294 -0.984 -5.633 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 -5.021 24.644 5.787 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 -6.927 0.412 -2.484 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 -4.897 9.128 17.174 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 -10.301 -5.275 14.758 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 0.976 -0.388 -2.490 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 15.414 -11.725 -16.050 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 12.576 -10.222 5.978 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 1.541 -4.325 3.018 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 -1.242 -2.897 -3.054 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 -1.626 -1.353 -15.088 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 0.764 2.926 1.189 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 16.952 4.508 -7.830 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 -4.385 37.611 0.089 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 0.417 6.166 -1.311 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 -7.639 -6.304 30.238 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 15.756 13.759 6.255 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 4.893 -4.748 -1.265 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 -1.371 -8.161 -5.094 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 -5.649 -10.931 -6.963 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 2.635 0.667 -1.405 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 -3.371 -9.408 1.019 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 -8.405 -18.096 -2.970 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 2.672 -1.759 -0.587 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 2.476 -10.874 3.067 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 -0.978 9.622 -18.380 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 0.065 2.913 -0.782 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 10.725 8.395 -10.288 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 7.001 -10.931 1.391 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 -8.524 -2.658 -2.089 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 13.717 -2.402 -11.362 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 22.574 -2.070 2.432 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 -0.173 5.676 8.227 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 41.879 4.581 -3.656 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 1.658 -10.454 -10.301 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 -0.182 -3.363 0.977 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 -15.969 31.183 5.479 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 -2.570 2.173 2.369 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 -2.476 3.883 -0.065 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 -15.948 -0.521 -5.249 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 -26.092 6.634 -12.268 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 -4.200 -3.574 1.445 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 8.450 7.569 13.476 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 -7.123 2.308 7.811 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 2.730 3.015 -2.238 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 -11.502 -12.449 -7.593 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 -6.935 16.162 -1.996 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 -0.452 -1.305 1.035 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 8.004 -0.469 0.191 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 -5.032 7.901 -8.265 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 0.003 -2.964 -0.198 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 -7.312 1.891 18.966 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 22.455 -9.647 -25.741 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 2.474 -0.659 -2.263 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 4.998 -5.552 3.590 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 -4.557 0.181 0.643 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 1.908 -1.798 -5.920 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 -32.383 2.349 -22.390 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 -35.255 17.193 -8.770 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 1.375 1.934 0.538 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 -9.214 -14.870 -6.992 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 5.143 14.698 7.740 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 -2.182 -2.022 0.160 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 2.123 -11.063 6.105 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 -5.540 -1.667 1.804 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 -2.377 -1.615 1.626 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 -8.530 1.718 -5.790 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 4.334 -3.019 -6.721 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 7.206 4.681 1.527 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 12.954 20.821 9.166 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 -4.458 -3.606 -19.202 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 -3.381 -0.629 2.865 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 10.108 13.359 11.504 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 19.624 26.018 4.117 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 -2.266 -0.386 7.596 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 19.104 16.898 22.209 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 -6.290 10.370 -11.148 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 -4.715 -3.966 -2.160 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 -2.573 5.188 -11.385 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 -12.325 16.771 -5.626 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 1.861 0.972 -2.531 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 17.981 9.783 -5.465 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 10.854 -8.462 -7.066 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 7.521 -4.499 -1.230 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 6.707 -8.652 3.119 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 6.036 -17.057 -3.921 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 1.921 1.194 0.347 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 5.683 -9.302 -10.424 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 -9.846 -9.529 -13.997 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 5.195 1.819 -2.588 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 3.547 -0.288 3.980 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 -4.808 7.806 -7.436 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 1.570 -0.856 1.034 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 -3.523 -3.253 -5.299 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 18.574 14.242 0.614 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 -3.001 -2.842 2.112 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 -1.550 -3.872 5.748 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 -2.910 -5.315 -1.017 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 -0.286 -6.283 -5.941 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 23.836 22.367 -33.587 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 0.908 -4.093 -0.610 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 -0.877 2.395 0.335 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 9.798 -8.892 -1.086 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 0.409 3.237 1.747 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 -2.602 -2.684 1.389 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 -1.155 -2.573 1.762 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 12.731 -14.257 13.023 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 -1.534 -1.836 -2.191 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 -11.545 -11.379 -18.387 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 15.398 -16.665 1.075 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 -5.389 -5.768 1.675 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 -14.033 6.049 -2.351 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 -12.198 -16.588 1.429 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 5.274 -0.310 -5.268 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 2.079 -1.571 4.125 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 7.292 -0.508 16.812 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 -3.901 4.471 -2.879 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 8.574 0.242 -2.513 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 2.890 -12.925 9.900 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 4.442 -0.307 -1.244 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 9.183 4.644 -10.382 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 5.276 -3.689 1.388 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 0.689 -3.709 3.974 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 12.171 -25.247 13.512 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 -10.067 7.420 4.432 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 -2.457 1.759 3.494 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 3.467 1.979 -26.485 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 -38.462 3.724 12.134 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 -0.456 -5.999 2.081 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 3.699 -12.056 -2.167 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 4.908 -5.629 -5.904 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 12.218 -4.941 -6.246 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 -20.053 -24.799 -21.299 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 -1.726 -14.011 -5.538 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 1.454 0.934 3.306 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 -4.055 -3.125 -6.035 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 12.044 -6.732 1.608 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 2.313 -2.897 -2.262 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 -6.992 -18.413 -13.106 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 2.051 8.500 1.274 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 -4.244 5.410 0.801 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 -1.702 -3.358 -15.920 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 -5.029 23.605 7.908 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 1.200 5.328 0.933 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 -9.118 -0.552 -7.006 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 -2.049 9.111 8.414 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 -2.117 -2.366 -1.736 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 -11.096 4.704 -6.953 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 13.118 -3.419 -1.437 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 -7.108 -0.529 -2.601 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 13.089 -22.355 6.982 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 5.590 4.729 26.644 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 1.950 4.540 -4.082 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 -0.263 -15.303 5.454 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 -3.821 11.024 6.935 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 -4.408 9.581 -0.909 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 -4.570 -14.448 -5.337 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 16.400 20.279 -16.294 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 -0.049 -6.966 -5.705 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 -11.109 -2.474 7.224 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 9.839 10.090 -8.803 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 1.481 -2.280 2.660 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 4.410 -4.649 2.396 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 -1.387 -1.289 11.585 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 -1.506 -2.001 8.038 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 5.560 -6.811 4.775 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 16.276 -15.732 -0.610 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 4.024 3.167 -4.366 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 -30.875 20.694 -5.910 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 18.930 -4.082 19.019 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 4.200 -3.790 -6.919 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 2.254 4.331 -7.201 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 -3.848 -1.567 -14.761 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 -2.539 -4.102 -5.098 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 0.074 16.270 -15.075 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 0.164 -8.870 3.567 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 -2.584 4.832 -3.225 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 0.882 7.022 -0.594 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 -11.934 0.382 -7.182 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 1.749 -4.630 -0.434 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 -17.057 10.377 -2.959 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 26.153 10.794 -11.123 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 -4.801 2.349 1.789 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 -17.347 -23.574 -14.151 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 -9.530 9.805 3.737 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 1.560 -1.510 -2.134 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 4.004 -3.115 1.696 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 5.469 -3.616 -5.644 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 -2.086 3.305 -2.198 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 8.188 -7.889 6.599 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 -6.538 -2.904 -24.455 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 7.019 5.142 0.529 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 7.432 10.887 4.839 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 10.771 6.641 3.625 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 3.625 5.062 2.285 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 7.765 -9.672 26.359 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 26.606 2.330 -7.256 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 2.459 4.403 1.055 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 1.383 5.460 12.333 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 4.004 -7.132 -5.592 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 -6.007 -2.996 -2.921 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 -7.017 -3.075 -2.946 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 14.237 9.558 2.215 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 3.039 -5.292 3.256 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 5.066 -10.475 5.255 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 5.557 9.551 8.592 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 5.868 -0.339 -3.565 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 12.082 27.115 -9.822 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 -10.451 -13.281 -12.014 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 1.283 0.179 -0.439 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 -1.819 26.579 17.348 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 -21.452 9.006 20.096 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 2.321 4.598 0.860 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 -23.381 -9.303 29.431 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 5.389 6.560 -3.059 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 -4.155 -1.776 3.410 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 9.786 17.280 -14.023 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 -2.375 -15.413 21.783 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 -4.576 6.083 5.743 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 -6.228 4.432 2.797 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 -3.364 7.527 5.608 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 1.837 2.231 -1.107 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 3.437 9.092 7.311 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 5.295 2.037 -2.975 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 3.196 -0.488 8.204 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 -8.589 -20.300 15.492 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 9.710 3.921 12.656 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 -2.589 0.013 5.226 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 -8.858 -12.437 0.407 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 31.305 29.470 9.132 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 3.060 -5.001 -0.233 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 -0.496 -1.557 -2.200 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 2.113 -9.714 -1.759 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 -3.344 -11.439 -1.463 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 2.579 -2.925 -8.590 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 -9.338 -11.437 8.795 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 -0.964 1.426 -1.334 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 -20.769 -3.098 -3.322 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 4.941 0.644 -24.405 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 -9.450 -4.785 0.492 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 -18.027 -29.399 -11.294 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 16.492 2.617 -12.132 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 -5.203 7.603 -6.723 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 -2.544 -3.263 1.425 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 4.709 7.052 -14.491 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 -0.355 -1.884 -1.218 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 -8.663 0.681 3.999 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 8.371 -2.102 4.477 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 -4.183 3.304 -3.608 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 -2.123 8.993 1.559 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 9.361 -0.345 2.687 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 0.114 1.168 1.360 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 -12.162 20.867 -9.582 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 10.439 -19.584 -9.788 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 2.368 7.986 5.983 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 6.911 15.653 8.786 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 -4.197 10.364 -0.240 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 1.882 -0.420 -2.930 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 -6.836 -2.026 -12.989 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 2.260 0.737 -0.953 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 -1.762 -3.036 -2.144 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 8.082 2.863 -1.188 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 0.514 -17.314 14.947 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 2.436 -1.661 1.033 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 0.642 0.419 -5.936 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 0.853 1.943 -9.386 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 -3.853 0.366 2.307 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 9.382 -1.831 0.409 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 -2.800 -2.202 -1.981 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 1.673 0.391 -3.649 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 19.828 -6.806 -29.321 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 13.838 6.432 8.655 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 -1.688 -5.048 -4.826 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 11.842 -5.850 -6.011 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 -2.301 8.345 -7.639 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 0.147 5.211 1.562 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 -8.692 3.661 -1.193 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 12.105 -3.529 32.776 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 -2.284 6.565 -3.596 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 4.925 6.695 -21.318 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 -6.538 -11.583 2.175 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 -0.909 4.356 4.147 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 20.891 -13.537 -1.951 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 3.983 15.515 -15.021 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 4.977 -2.124 4.939 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 16.406 7.707 7.066 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 -1.640 6.118 17.093 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 -0.458 -0.462 2.488 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 1.704 -1.759 1.358 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 -29.975 4.292 22.166 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 -0.224 -3.549 -3.867 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 0.872 -3.105 -31.771 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 33.166 -17.382 -6.595 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 -6.167 -0.897 -0.945 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 7.794 7.215 -5.400 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 3.136 13.011 -6.300 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 -2.836 -0.941 -1.407 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 5.140 -18.465 -1.786 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 8.944 -6.455 -23.999 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 0.717 -2.128 -1.718 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 9.757 10.068 -1.446 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 -10.232 -9.370 3.936 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 4.385 0.780 0.771 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 -8.213 2.525 -7.421 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 0.997 5.214 10.852 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 -7.478 -4.790 2.136 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 -12.250 -15.089 4.293 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 -0.635 -9.880 -12.224 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 3.194 0.409 5.303 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 -8.574 -8.650 -30.181 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 5.739 -1.123 -1.684 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 -1.300 -7.030 4.457 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 1.197 10.484 -15.330 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 9.234 -19.926 21.422 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 -4.964 -1.018 2.011 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 -6.138 10.744 -4.500 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 0.821 -13.349 -8.684 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -5.125 -6.381 -0.125 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -23.339 -19.120 12.986 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 7.673 20.339 20.850 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 3.898 2.434 4.795 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 6.982 0.003 1.462 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 23.930 15.760 4.000 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 6.240 2.149 -1.810 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 10.306 -16.134 3.230 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 -5.075 2.974 2.234 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 3.604 0.183 2.255 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 -1.548 1.860 -6.959 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 -1.482 4.726 -3.388 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 2.881 -2.849 0.320 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 15.146 -3.951 -20.994 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 11.264 -0.486 -14.365 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 3.323 -0.998 2.163 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 -1.376 10.301 3.492 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 -1.780 -13.287 -18.448 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 -1.077 4.638 -4.191 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 -5.310 11.883 4.031 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 11.899 13.851 -2.899 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 1.294 -0.126 1.824 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 -10.875 6.879 5.451 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 11.926 4.645 5.171 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 4.486 -2.573 2.697 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 -5.833 15.966 10.010 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 -7.016 -2.876 -7.192 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 1.538 -2.386 -2.604 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 -3.239 5.099 -7.419 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 12.647 -2.921 -3.297 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 3.165 -2.272 -1.693 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 -2.439 10.021 5.403 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 2.755 -1.791 3.995 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 3.808 -9.310 0.083 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 14.039 -1.407 13.350 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 -18.018 -15.135 -2.943 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 0.361 -0.690 0.326 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 3.495 1.128 -1.510 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 -0.636 -1.061 1.616 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 10.497 1.764 0.266 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 1.181 -14.573 -11.606 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 18.696 -9.448 -0.726 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 1.527 7.005 -0.901 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 1.735 6.563 -1.391 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 2.353 8.897 -2.511 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 0.040 -5.701 -4.542 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 33.468 -5.909 -17.553 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 10.541 -14.024 4.728 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 6.883 0.248 1.134 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 -3.434 5.092 -2.016 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 25.029 4.670 -7.728 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 3.131 -4.800 1.992 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 -12.859 0.253 -6.505 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 1.468 8.789 4.543 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 0.453 -1.624 5.175 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 -15.104 -7.573 -3.439 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 2.765 -2.181 -6.846 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -5.955 0.357 -0.946 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 10.327 -30.600 -4.732 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 23.106 11.632 18.036 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 -0.777 0.306 -3.659 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 -2.109 -3.362 -8.331 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 5.612 3.906 -0.613 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 -5.276 2.438 2.803 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 -13.258 -24.721 3.726 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 -11.733 5.197 1.629 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 -0.005 -2.092 -7.269 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 11.453 -12.878 -9.878 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 -9.611 -0.863 -1.064 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 0.873 5.770 -0.254 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 -2.850 -3.942 -19.027 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 30.718 -13.924 -6.187 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 0.734 -2.169 -7.299 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 0.967 3.114 16.942 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 8.601 -7.796 7.561 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 3.914 1.129 4.420 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 -23.528 7.936 -15.383 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 1.833 4.913 1.708 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 -1.296 -4.218 0.600 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 -6.869 2.201 -4.458 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -5.285 -10.941 -4.744 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 7.122 1.686 0.885 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 12.294 4.197 -12.070 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 -5.656 -16.982 -5.649 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 2.453 -1.094 6.582 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 -4.279 2.400 4.269 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 -1.344 -8.048 0.115 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 0.393 0.934 3.757 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 3.623 -9.071 -16.450 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 -0.079 6.143 16.104 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 -2.033 2.935 1.132 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 19.855 -7.646 -2.156 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 -21.279 13.478 17.223 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 -9.173 -8.331 -0.059 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 -9.583 -3.529 3.386 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 -7.300 1.247 15.380 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 1.413 -4.030 -4.279 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 2.582 1.228 1.105 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 -2.519 -5.086 11.725 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 -1.635 -2.687 5.046 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 -3.770 4.490 27.713 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 21.835 -26.548 -5.156 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 2.408 -0.620 -6.674 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 -11.493 5.327 25.905 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 -6.703 -16.893 6.060 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 2.673 -4.530 8.213 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 18.031 -1.512 5.243 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 -12.576 -4.977 5.794 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 -2.651 -0.859 2.636 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 -4.425 -3.826 13.818 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 -3.941 1.829 1.605 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 -0.796 -2.208 -4.270 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 8.603 -9.638 -13.229 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 5.450 -0.067 -1.896 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 4.851 1.627 -2.916 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 3.580 -4.739 -4.946 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 -0.582 -8.764 -13.241 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 0.788 6.189 1.595 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 18.592 16.301 2.020 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 -22.915 -6.054 9.604 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 3.589 5.622 -3.627 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 -18.690 13.848 21.513 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 7.110 -10.383 -18.509 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 3.373 3.526 4.609 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 -3.449 14.626 12.813 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 -3.840 -9.272 8.452 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 1.539 9.142 0.836 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 -16.259 4.096 10.275 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -21.320 -0.784 -15.145 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 -0.736 10.646 4.595 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 -5.873 12.179 14.689 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 -5.478 4.714 -8.834 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 -0.946 -1.280 7.788 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 -0.654 -5.257 8.275 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 0.371 27.496 12.520 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 -0.751 7.821 -1.877 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 1.725 15.105 -3.091 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 -4.674 -2.029 0.018 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 7.554 1.871 4.490 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 0.314 -6.088 -10.033 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 4.942 1.161 -8.120 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 -0.010 3.192 2.803 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 8.985 5.534 12.392 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 -3.687 14.036 -7.808 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 3.163 5.363 -3.353 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 -11.058 -12.795 -2.799 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 2.532 14.556 17.711 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -1.899 -1.666 -6.250 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 -1.015 1.758 -1.681 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 -1.627 -1.917 0.888 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 -7.286 1.208 -1.435 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 3.479 -7.213 -13.815 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 -7.540 2.887 -4.913 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 0.407 -1.167 1.792 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 0.425 5.831 -1.396 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -13.117 22.878 11.036 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 0.315 -1.504 2.958 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 -3.494 -1.506 -0.100 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 -8.347 -16.544 5.491 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 0.186 -1.621 -1.262 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 3.522 -12.679 -8.775 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 -12.280 6.520 -5.302 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 -4.677 -6.184 -1.121 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 -27.786 4.524 -9.076 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 -21.674 -26.394 0.647 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 0.382 2.662 -1.788 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 -5.425 0.978 -12.923 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 7.155 7.279 15.097 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 -0.500 4.865 -1.712 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 6.198 12.725 -5.937 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 -26.728 -22.913 -13.033 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 -4.738 -0.115 -2.465 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 10.581 -4.491 18.551 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 -18.240 16.993 0.695 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 -1.442 0.325 -3.656 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -8.168 -7.211 -4.401 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 -3.422 -4.273 15.615 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 -0.979 -5.411 4.934 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 -3.120 -0.222 8.401 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 -13.980 -3.567 -1.410 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 -0.633 -1.852 -0.722 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 -14.489 3.216 -2.092 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 4.382 -2.316 12.158 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 0.027 3.506 -2.383 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 6.556 29.866 -3.948 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 4.887 -1.085 -1.945 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 4.676 -7.451 -1.376 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 10.428 19.845 -5.699 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 -1.123 8.678 7.041 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 5.027 -0.759 -1.344 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 12.638 -4.975 1.217 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 -16.032 10.841 -9.658 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 -1.167 1.968 -2.049 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 -2.017 8.536 -2.084 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 -0.050 -4.081 -16.260 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 -0.696 1.964 -2.747 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 -8.908 -3.018 -8.421 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 5.246 7.803 -6.721 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 -5.690 3.834 -1.567 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 -1.925 6.534 -6.471 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 1.921 -23.921 20.856 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 -0.391 3.625 -1.213 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 -0.331 15.119 -3.185 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 -5.539 1.552 8.587 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 2.261 -8.300 0.193 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 2.739 10.695 18.808 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 4.552 -9.541 4.860 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 1.449 -1.932 -0.852 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 -3.439 -6.956 -1.742 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 -0.164 -4.154 -4.527 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 0.893 -2.887 -3.651 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 13.098 2.465 -0.438 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 3.527 -0.684 -18.173 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 2.665 -0.831 -2.919 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 7.912 -11.769 -7.841 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 -17.471 -1.230 1.559 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 -0.778 8.718 -0.438 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 11.642 -15.075 10.687 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 -18.244 13.888 15.401 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 6.652 1.032 -3.316 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 7.191 -3.849 -5.646 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 2.226 -6.014 -9.637 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 7.388 8.398 -0.347 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 5.424 0.593 5.663 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 -8.436 -4.065 -8.884 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 2.019 -2.169 3.632 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 -2.448 -6.467 2.125 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 -16.947 -8.795 4.147 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 -3.161 0.794 -4.473 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 1.347 -3.718 -7.433 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 -3.931 9.760 0.799 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 7.839 3.113 -4.585 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 -2.883 -9.948 4.984 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -2.990 7.992 -19.173 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 2.974 3.464 3.090 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 7.490 11.122 3.452 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -1.796 -2.430 -3.536 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 -1.478 1.513 -3.257 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 -13.308 13.588 10.495 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 -1.222 -13.093 -2.474 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 1.546 -2.939 2.949 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 0.953 -3.123 6.018 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 -2.044 0.397 1.066 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 -5.038 0.501 -1.695 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 -1.604 10.423 -19.982 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 16.868 -10.438 26.080 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 4.754 -0.187 -5.600 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 11.568 -5.358 -9.488 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 0.019 4.181 -15.888 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 5.290 9.330 2.198 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 10.092 13.769 -25.319 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 7.994 -11.530 5.328 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 3.796 0.266 5.779 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 -4.151 4.171 6.964 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 3.271 -1.677 5.714 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 4.395 -3.519 3.133 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 7.790 -4.808 -7.363 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 0.322 3.140 16.909 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 -0.826 -3.985 0.069 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 0.334 4.334 0.612 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 -4.813 -0.000 -1.098 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 2.105 -2.846 1.004 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 1.120 -9.774 8.908 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 0.825 2.320 17.803 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 2.580 -3.522 0.862 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 -7.316 -8.230 12.005 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 7.801 -17.939 -9.426 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 -1.709 -3.609 -3.092 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 -9.028 -20.901 0.800 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 -16.947 13.442 -9.937 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 2.989 1.900 1.776 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 -28.264 -13.802 14.008 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 -24.010 5.824 -27.594 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 -2.156 -2.515 -4.081 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 -19.486 -0.123 -8.924 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 19.851 -10.312 11.410 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 -5.245 -3.559 1.445 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 -7.322 -9.431 -7.891 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 -1.843 8.481 2.331 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 1.624 2.711 1.559 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 -1.430 12.599 -9.168 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 14.312 -1.016 -4.622 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 3.444 0.081 3.630 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 -4.110 -10.388 4.317 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 -6.461 -7.520 -1.735 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 -1.593 4.881 -2.119 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 -4.334 4.045 -0.180 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 -13.567 -1.064 10.543 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 0.077 5.568 4.036 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 -1.458 6.585 5.764 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 9.043 -1.204 1.156 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 -4.924 -1.364 2.013 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 -13.634 22.008 12.356 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 15.779 -11.765 -8.892 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 -4.565 2.464 2.269 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 16.932 -11.783 27.897 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 -13.983 10.057 7.610 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 -3.567 5.666 -0.111 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 9.578 -9.962 -2.554 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 -18.486 1.119 -13.511 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 -2.278 -1.564 0.664 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 1.523 6.080 8.189 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 5.450 8.929 9.410 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 -0.031 -0.966 1.245 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 11.834 8.732 1.018 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 -7.822 0.909 3.093 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 -3.336 -4.976 1.613 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 -0.305 -10.121 13.104 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 -12.822 -2.326 -11.251 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 6.602 11.609 -3.537 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 -11.269 16.684 -19.381 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 9.825 -18.428 -14.039 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 1.546 -3.854 1.744 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 -8.231 18.871 0.287 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 10.292 -4.188 -6.885 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 5.604 1.755 -6.328 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 15.017 7.614 -10.184 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 19.622 10.743 -11.639 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 -0.299 -1.177 8.394 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 -0.857 -7.723 7.528 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 -1.575 -6.015 6.954 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 3.461 -0.251 0.028 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 -6.495 3.315 -3.781 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 -7.263 1.499 -1.213 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 1.724 2.950 -2.674 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 -0.815 -2.561 2.222 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 27.504 28.729 5.946 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 -0.275 1.742 -8.050 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 5.656 -2.486 -9.419 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 -4.477 4.607 -4.339 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 -2.756 -1.510 -0.338 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 -19.169 -15.519 4.787 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 -1.087 1.735 -10.563 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 -1.993 2.052 -1.086 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 7.166 -10.046 12.675 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 30.187 -12.474 1.736 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 4.070 2.200 -0.592 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 0.119 -9.272 -13.047 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 3.043 -1.857 -9.954 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 3.470 -4.306 2.093 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 -7.518 1.963 4.792 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 7.450 -1.144 -7.555 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 -1.735 -4.561 1.403 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 -11.091 -14.717 2.397 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 3.189 -7.806 8.278 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 -7.187 -5.843 1.764 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 -11.445 -9.315 -7.225 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 -1.773 -3.724 -0.535 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 4.649 3.431 -1.708 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 -7.423 3.079 -4.445 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 8.869 -7.751 1.123 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 -2.684 5.047 1.690 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 -9.233 10.003 -1.630 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 -19.362 -2.616 31.885 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 0.588 -4.199 3.597 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 9.457 20.028 11.401 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 0.809 -5.004 2.605 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 -0.468 0.576 4.129 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 -20.622 9.532 9.601 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 30.295 -13.708 -4.134 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 7.001 8.714 2.869 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 4.193 6.590 3.503 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 33.563 15.321 -2.281 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 -2.739 -5.509 1.246 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 -8.181 12.020 6.014 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 -7.694 -9.739 11.995 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 -0.101 -1.235 -0.787 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 -15.451 10.980 -10.950 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 -12.016 -0.440 20.655 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 -0.380 -2.130 -6.005 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 2.387 -5.964 -5.346 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 4.477 -9.431 -6.682 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 -2.558 3.608 5.460 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 -6.883 -2.486 10.923 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 -8.130 2.519 5.016 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 0.503 0.297 1.992 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 11.603 -16.312 5.943 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 -1.732 -4.064 9.765 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 -11.408 2.812 6.086 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 -10.903 -2.326 7.282 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 5.984 10.535 34.702 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 3.386 -7.333 2.632 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 13.960 -6.619 -14.399 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 12.728 -17.445 16.483 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 -4.864 -4.387 -7.938 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 2.744 -13.737 -5.274 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 -14.741 -8.051 -2.045 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 -2.547 -3.521 -1.147 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 14.264 0.100 18.469 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 -4.807 -7.441 1.182 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 2.748 -8.019 3.869 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 2.542 -3.777 -0.187 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 -11.638 -15.556 -4.085 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 -0.471 4.761 2.441 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 6.123 2.962 -19.842 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 21.416 -9.958 -2.549 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 6.512 -2.962 5.145 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 10.301 -16.475 6.592 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 3.310 8.888 5.098 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 3.427 1.153 -2.417 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 1.804 -4.541 7.549 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 2.449 8.838 2.609 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 0.082 -1.046 9.669 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 -1.476 3.200 4.387 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 2.477 -4.859 12.810 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 -2.129 -2.954 4.874 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 -2.507 -1.737 -5.751 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 -9.635 -11.551 12.224 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 -3.282 2.743 3.904 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 -5.117 -15.280 -7.653 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 -28.087 3.130 -2.284 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 -3.875 1.283 -3.927 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 5.985 1.868 -15.134 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 -9.641 5.237 -6.753 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 -2.176 -7.666 -7.985 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 3.771 -6.572 6.900 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 6.116 5.007 -2.124 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 6.790 -1.803 -0.192 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 11.331 -11.861 4.594 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 18.105 2.211 -7.516 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 0.609 4.643 -1.131 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 -2.958 -3.550 1.024 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 -12.322 9.283 31.673 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 0.431 -9.596 -14.978 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 13.409 -12.665 -7.849 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 -7.556 6.798 -8.749 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 -8.448 1.714 4.972 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 -5.731 4.508 -11.869 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 -18.364 -2.463 -12.407 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 0.618 5.482 -3.539 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 -9.601 4.743 -6.447 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -9.467 9.197 -8.010 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 1.762 4.124 -5.182 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 -15.942 -8.780 20.046 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 -0.787 -14.500 -4.477 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 -4.048 1.946 -2.238 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 1.932 4.637 -17.122 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 -6.483 -4.939 4.485 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 2.972 6.146 -0.974 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 7.656 5.275 -0.743 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 5.846 -8.481 4.965 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 -1.985 2.521 -4.034 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 13.078 7.062 -1.197 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 0.177 -11.252 -11.075 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 -0.961 -1.991 0.031 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 -2.861 0.040 -4.561 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 0.065 2.918 2.047 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 2.875 -0.025 -3.086 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 -8.879 -2.991 7.836 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 6.531 -1.573 3.354 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 2.670 -1.790 -0.401 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 -33.006 14.714 18.244 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 11.932 -19.666 -10.686 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 -1.650 1.741 2.662 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 -5.865 -13.003 5.997 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 -4.541 1.552 -3.169 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 -2.026 -2.495 -4.104 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 3.745 -1.301 10.426 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 -1.568 -16.630 0.106 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 -3.867 6.034 -4.847 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 -23.099 6.874 -7.674 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 17.217 18.616 -10.719 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 -2.396 5.584 0.508 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 -14.704 15.687 8.175 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 -1.518 6.847 3.072 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 0.755 2.089 1.163 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 -22.514 10.012 -12.199 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 16.403 1.414 -16.948 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 0.567 -4.652 -4.140 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 -6.778 -8.434 -9.337 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 -6.669 -14.368 -7.662 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 5.263 2.118 -1.022 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 -6.337 2.810 -9.949 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 7.417 -3.396 -0.149 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 -4.932 -1.431 -4.927 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 -21.495 -16.628 -1.607 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 -4.175 -23.907 -5.673 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 1.783 9.303 0.203 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 8.422 0.123 13.627 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 3.188 -3.088 1.874 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 6.214 3.051 -3.570 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 -1.076 10.491 0.930 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 10.768 4.979 -2.604 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 0.976 -5.194 1.231 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 7.356 13.364 13.637 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 -5.856 -3.949 -0.525 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 1.978 1.358 0.977 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 1.354 1.223 2.552 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 -10.605 -12.441 1.939 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 -2.365 -4.526 -6.090 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 -15.508 -2.968 4.151 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 13.136 -8.004 -13.115 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 -2.238 -2.217 2.385 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 -6.400 -5.160 4.744 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 -5.042 -0.047 8.725 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 -0.752 -1.066 -5.716 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 0.046 2.448 -0.992 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 2.708 -0.173 -0.147 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 8.408 -0.039 0.507 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 12.269 1.862 3.542 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 15.145 0.986 3.252 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 -3.042 -3.480 -5.714 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 -12.593 7.640 0.022 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 -1.041 -10.247 -10.323 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 4.231 -2.360 3.967 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 5.489 3.631 7.908 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 4.493 -8.368 8.046 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 1.176 1.851 -4.618 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 -10.804 7.592 -17.694 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 -2.443 4.514 4.734 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 -0.229 -1.758 -1.873 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 -0.455 -4.212 -7.824 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 -5.717 9.349 24.690 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 5.974 -2.479 0.445 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 21.407 -4.285 -7.110 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 -3.259 5.956 7.652 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 -2.244 5.117 -4.770 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 3.332 5.149 2.277 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 5.013 9.836 4.815 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 -3.033 5.319 -2.080 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 0.983 1.326 -15.353 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 10.133 3.874 -7.130 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 0.828 -1.102 1.265 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 -1.769 -8.816 13.061 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 -22.114 -5.981 10.259 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 0.839 -2.083 7.475 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 19.842 -5.991 -2.637 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 -18.203 20.749 12.315 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 2.561 -1.503 3.948 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 1.918 -12.557 12.481 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 14.080 9.825 -6.147 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 -2.911 5.647 1.042 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 -5.872 1.724 -1.736 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 0.605 6.480 -2.130 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 3.586 0.563 -5.056 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 19.024 -1.471 -14.023 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 -4.875 26.067 -23.449 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 -0.374 -2.698 1.150 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 -4.440 -11.551 10.336 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 24.666 3.254 12.134 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 -1.358 2.469 -0.114 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 12.556 -14.145 -16.716 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 14.837 -11.748 -17.962 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 5.034 -2.398 -3.042 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 7.798 -9.354 -4.448 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 1.803 3.119 -5.781 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 3.241 -1.782 -9.165 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 -24.228 12.500 6.282 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 7.335 -14.626 16.076 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 3.466 3.692 4.897 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 -14.397 -23.012 -10.341 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 -16.384 -7.866 19.198 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 2.844 7.794 3.531 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 15.697 -18.225 -32.808 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 -25.987 5.906 12.614 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 1.928 -0.106 -1.846 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 2.758 3.438 2.354 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 -2.975 -15.339 26.716 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 -2.934 -2.058 2.318 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 27.083 -3.233 -21.035 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 5.290 15.365 8.043 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 -1.153 -4.225 1.330 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 -2.558 -3.047 4.642 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 6.819 0.169 -4.154 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 4.090 -9.302 -1.062 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 -6.575 6.691 5.989 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 22.155 -12.115 -14.885 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 -3.841 7.238 4.936 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 -3.730 16.553 3.868 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 -4.700 -2.264 7.788 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 -4.680 -0.596 0.512 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 2.374 -9.148 3.733 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 0.707 10.479 2.146 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 -2.971 -2.700 -6.203 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 -0.796 -8.833 -7.033 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 -4.093 -6.795 6.491 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 1.968 -2.125 0.654 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 -4.739 -12.989 -2.745 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 18.074 -3.305 1.815 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 -3.483 -2.596 1.242 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 -7.993 -15.072 1.221 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 -0.927 -0.707 -9.086 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 -7.701 1.931 1.106 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 -9.768 7.081 1.427 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -5.010 -4.084 0.136 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 -1.014 0.192 6.914 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 -11.826 -4.217 24.172 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 2.037 -4.898 -5.206 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 -5.467 1.370 -4.985 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 -3.289 -17.764 -1.708 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 1.600 -20.544 -6.678 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 0.054 1.197 1.278 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 -12.942 2.963 1.553 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 1.067 18.743 3.328 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 -4.757 -4.661 5.403 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 -5.383 -16.688 -0.794 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 -5.419 15.580 17.651 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 4.974 -1.267 -2.737 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 16.703 4.265 -3.055 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 -20.532 3.116 -8.076 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 -0.840 1.564 3.775 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 12.205 1.439 -5.385 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 -2.868 -5.768 -8.982 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 4.920 -0.733 1.879 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 28.434 12.228 -7.353 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 22.385 4.296 -6.724 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 1.773 -2.414 0.350 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 7.894 5.182 11.337 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 10.853 -13.202 -2.891 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 3.913 -5.260 -4.926 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 1.134 -6.769 3.785 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 -3.575 -2.566 3.888 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 7.358 -0.841 -3.525 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 -2.602 4.287 36.995 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 9.374 -12.804 -9.071 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 1.978 2.018 1.647 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 -4.862 8.345 3.706 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 -9.929 -19.563 -16.315 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 -2.751 4.105 4.777 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 -3.326 -20.429 -3.748 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 -1.704 15.183 -9.821 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 -4.843 1.928 4.893 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 19.524 27.757 -2.005 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -7.333 -4.610 -23.200 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 1.994 2.949 -0.493 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 11.733 -0.599 -0.047 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 5.817 7.881 4.201 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 -1.647 5.995 1.548 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 12.721 12.761 -10.076 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 1.216 4.097 -6.015 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 0.706 0.096 -10.053 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 -9.432 -0.742 -15.798 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 -2.139 10.086 0.203 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 5.481 -2.945 3.185 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 -1.654 -29.408 2.313 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 22.285 13.699 24.654 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 3.076 2.194 -9.300 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 -31.543 10.683 9.212 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 10.245 -7.978 -12.245 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 1.393 -0.663 -0.786 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 11.088 7.599 12.167 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 11.051 -8.847 -8.578 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 -7.930 -5.860 4.010 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 -9.997 -19.899 13.502 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 -20.072 -29.685 8.417 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 -1.687 1.340 5.405 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 -10.068 -1.650 7.038 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 12.905 1.063 12.395 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 0.301 2.600 -1.087 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 -8.470 -1.570 11.804 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 16.999 -9.721 8.324 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 4.917 0.409 2.179 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 7.842 -6.094 -1.570 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 6.749 -2.346 -6.447 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 -2.582 1.419 -2.582 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 3.897 -20.590 -11.836 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 -7.477 10.789 2.248 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 -7.411 3.803 4.127 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 -16.188 30.405 -1.050 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 20.864 -10.956 17.152 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 3.492 -0.117 2.216 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 1.945 -19.309 -13.851 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 17.151 17.561 0.914 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 -4.587 2.426 3.514 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 6.134 3.518 -8.877 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 4.618 -0.554 16.541 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 -2.911 1.490 6.257 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 8.263 -2.059 -3.353 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 2.781 -7.154 -9.263 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 0.942 4.010 -7.835 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 -30.975 -0.633 -13.612 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 10.577 -14.064 -2.663 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 0.356 -0.195 0.721 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 4.901 -1.291 3.032 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 -9.840 -20.339 13.062 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 -0.614 -0.269 6.233 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 2.396 1.807 14.130 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 -19.788 -16.818 -40.854 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 -3.739 -1.258 -2.038 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 -16.112 2.284 -5.665 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 -6.857 4.783 -6.420 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 -1.447 3.350 -4.365 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 -3.980 -4.034 4.733 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 -4.908 -19.480 -21.456 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 0.732 1.422 0.789 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 7.244 20.623 -17.108 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 -14.954 -18.274 -11.623 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 3.393 5.682 2.270 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 8.324 13.948 -3.637 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 -8.147 7.471 4.823 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 1.110 1.318 1.167 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 -14.428 12.242 2.592 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 22.410 -23.009 18.600 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 10.924 5.284 0.623 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 13.315 0.191 0.744 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 9.054 3.859 3.478 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 -1.605 -1.093 3.541 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 7.643 -24.496 26.139 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 30.762 9.840 12.707 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 1.346 -3.283 3.802 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -21.968 -4.116 -9.409 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 0.347 8.937 -30.452 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 -0.667 1.092 -0.273 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 -6.958 -12.243 -7.231 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 -13.020 16.650 16.848 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 1.444 8.359 1.616 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 -6.638 3.153 8.916 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 16.956 3.645 -13.536 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 -3.888 -4.153 -2.036 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 -3.954 12.313 -0.447 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 -16.096 -6.257 8.229 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 -6.336 1.365 4.422 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -4.654 -4.973 -15.300 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 4.183 1.517 -14.356 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 -1.444 2.295 -0.841 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 -2.367 5.391 -4.319 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 -4.986 0.465 -3.974 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 5.969 1.320 8.287 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 -13.824 -14.471 -0.521 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 -0.310 -10.459 1.465 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 1.361 -0.641 0.754 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 -22.292 -5.944 6.384 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 13.778 6.576 -1.614 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 -0.642 1.212 -2.426 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 -16.729 -9.192 10.123 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 -3.811 -4.499 -8.402 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 -1.157 0.362 -1.420 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 -0.848 3.780 -30.285 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 2.195 5.718 -27.158 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 2.903 2.962 4.184 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 11.605 13.816 -5.345 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 -5.910 -13.419 -0.640 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 0.035 0.636 -6.351 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 -8.773 -2.437 -13.173 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 17.889 10.199 4.165 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 -4.351 -2.936 -8.229 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 8.420 -11.445 -10.467 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 -18.223 -14.325 -3.655 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 2.829 -4.248 4.197 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 5.169 -14.017 11.015 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 4.500 -11.423 8.888 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 0.409 -1.096 5.785 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 15.298 19.689 -25.235 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 -27.743 -1.427 -2.995 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 -7.121 -4.694 5.509 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 -12.291 2.238 -21.042 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 -2.572 -8.189 26.422 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 0.251 1.249 4.097 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 3.524 2.516 10.776 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 0.578 -8.841 -11.539 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 0.008 4.960 -2.870 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 2.009 11.386 -8.754 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 2.576 6.839 1.668 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 0.271 1.965 2.648 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 -5.837 6.788 6.369 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 5.800 5.102 7.992 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 3.147 -0.689 5.505 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 -5.632 6.970 1.866 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 -4.884 -14.075 15.588 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 3.721 -6.352 2.411 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 -2.058 -10.940 3.241 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 11.497 -10.611 -1.719 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 -4.011 0.613 10.686 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 -2.225 6.930 -1.199 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 -18.292 5.052 23.661 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 2.134 -8.058 2.507 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 20.292 12.437 17.279 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 -25.113 7.509 0.052 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 -3.865 -3.751 -0.466 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 -12.011 9.206 1.151 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 11.155 4.335 -8.161 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 1.031 -1.475 -3.212 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 10.744 -4.558 -4.260 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 -11.113 5.871 13.901 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 0.959 7.441 8.801 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 -2.454 11.087 -0.714 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 14.240 -9.096 -3.912 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 -4.326 -3.515 -4.135 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 -3.484 0.963 -11.414 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 -7.720 2.018 0.978 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 -2.935 -0.815 -0.985 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 -2.581 18.438 -14.788 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 -10.101 10.949 22.174 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 3.648 2.081 1.831 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 3.934 8.522 1.819 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 -15.191 -0.417 9.460 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 4.144 0.393 -4.129 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 -6.746 -14.771 -22.633 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -21.489 6.630 -5.637 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 -1.348 0.548 1.541 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 3.908 -5.690 4.075 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 -5.019 -5.527 3.414 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 -2.906 2.588 -3.034 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 -6.724 7.965 14.897 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 24.921 0.527 4.906 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 -1.571 -1.553 -2.587 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -7.252 -13.561 0.917 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 -2.530 -2.308 -0.588 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 0.203 -1.695 2.005 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 3.628 2.743 7.155 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 -7.383 -2.948 -5.691 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 -5.199 10.608 -0.218 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 0.631 6.370 -4.024 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 -5.890 12.018 1.561 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 8.806 2.475 -6.017 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 1.281 5.879 -18.208 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 28.709 -0.814 -12.262 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 3.188 2.610 -1.888 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 -3.402 17.447 -10.817 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 -0.504 8.901 1.029 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 -3.541 0.500 -2.200 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 -11.683 17.892 -9.579 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 -22.525 1.753 20.412 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 -3.559 -2.113 -6.311 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 -12.132 12.332 -12.633 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 12.046 -18.467 -6.547 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -2.878 -0.142 -1.944 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 -18.654 6.563 -10.593 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 -14.159 -7.138 16.136 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 -6.265 0.726 -1.058 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 0.029 -16.724 20.552 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 -1.180 -0.804 -0.045 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 -7.815 4.470 4.381 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 -3.397 11.298 -1.728 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 3.392 -0.428 9.784 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 2.113 -3.393 -4.982 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 -6.423 -14.291 1.491 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 7.787 -5.485 3.590 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 -3.507 -5.404 8.613 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 1.721 10.081 -0.715 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 -8.099 14.170 26.082 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 -7.324 -1.877 -9.191 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 -1.689 -26.583 15.943 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 2.397 0.906 -8.587 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 -1.172 7.075 5.549 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 -1.723 -4.180 -13.508 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 15.697 40.024 19.567 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 -0.016 -2.109 -6.299 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 -11.288 -2.622 22.511 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 12.514 -32.172 2.396 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 -4.905 -1.719 -0.160 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 -3.998 4.548 -10.062 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 -17.232 -6.437 -0.438 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 -3.499 6.565 -2.276 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 6.764 -2.277 5.275 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -4.146 9.965 -4.099 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 -0.730 -5.577 -1.716 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 -1.849 -12.281 -23.031 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 -7.758 -18.141 6.199 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 1.467 -3.576 4.037 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 8.477 4.609 1.360 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 8.469 -23.207 8.178 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 4.205 -0.127 1.503 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 8.559 -9.619 -9.389 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 1.567 3.599 5.190 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 -6.709 0.678 -5.531 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 7.917 6.528 -0.202 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 15.871 3.378 -4.796 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 -1.770 1.596 -1.493 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 13.745 14.870 -15.076 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 -9.843 -3.080 5.089 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 4.736 -9.428 -10.836 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 4.007 -3.429 17.034 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 -13.724 -2.925 25.055 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 0.333 -0.784 -5.718 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 8.151 8.619 17.157 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 -11.381 -21.367 -17.530 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 -2.003 -0.154 0.565 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 -6.326 4.105 0.246 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 4.257 -2.774 3.545 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 -2.522 -3.856 3.895 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 -5.242 -20.146 -22.773 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 -20.609 -9.670 4.449 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 0.414 1.137 -3.332 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 -18.478 22.604 5.390 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 13.644 1.505 17.234 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 -1.677 -4.157 -6.285 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 0.815 13.717 -33.567 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 -7.230 -0.006 -8.886 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 5.547 0.015 -0.906 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 -7.678 2.595 6.643 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 -1.029 16.273 -14.779 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 -1.303 -0.168 -3.114 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 15.249 5.821 -1.603 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 21.828 20.177 8.824 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 -2.263 5.148 2.401 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 0.496 13.803 -7.973 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 5.699 1.950 1.219 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 1.275 2.902 1.276 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 3.274 -15.186 0.198 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 20.063 9.023 -5.239 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 -1.092 0.471 4.957 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 14.113 14.822 -11.999 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 10.090 -9.583 -10.400 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 3.869 -4.272 1.214 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 8.368 -10.916 -10.835 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 3.058 -1.856 -10.639 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 3.800 0.425 1.246 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 0.069 -4.921 1.411 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 5.750 4.865 13.453 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 -4.859 4.611 0.678 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 5.822 -4.489 2.616 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 -0.822 10.645 3.258 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 -4.102 10.248 3.490 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 -0.136 17.648 13.839 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 -4.550 0.775 4.866 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 2.006 2.073 -2.651 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 9.637 -1.875 -13.824 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 11.815 13.071 7.087 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 8.573 1.053 3.807 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 15.884 0.826 5.796 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 27.078 14.251 -8.891 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 -5.219 0.347 -3.139 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 -5.845 12.862 5.137 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 -1.741 -16.471 -4.664 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 8.311 -3.710 5.593 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 3.344 -4.821 -24.604 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 8.030 -5.282 9.478 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 2.359 1.518 2.039 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 10.641 -4.105 -2.495 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 16.151 7.769 10.928 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 3.350 -2.804 -1.947 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 5.763 5.766 -2.717 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 -1.708 4.792 -1.990 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 -3.096 -2.166 0.303 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 -1.015 -6.719 -5.850 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 -9.332 -6.729 -1.055 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 3.631 0.226 1.605 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 13.882 -2.479 -13.745 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 -5.021 -2.815 9.612 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 -0.778 6.794 3.190 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 -0.794 6.758 4.909 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 -2.407 7.711 1.942 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 -1.755 -5.137 3.437 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 -10.042 -16.302 9.345 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 -3.196 -5.464 -20.744 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 6.799 7.740 -3.121 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 -1.471 3.337 4.963 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 0.831 -9.567 -1.165 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 -1.650 -1.248 1.669 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 -9.390 -19.652 0.287 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 -6.921 8.900 18.204 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 -8.027 -3.994 2.990 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 1.906 -3.702 1.543 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 -2.547 7.100 1.103 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 5.889 0.766 -1.248 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 2.578 -7.212 -15.824 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 -1.837 -8.313 10.168 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 0.487 5.932 -3.089 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 6.300 0.201 -14.912 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 -7.551 17.974 1.349 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 -4.153 -0.903 4.098 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 -12.859 6.591 11.174 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 1.409 -20.223 24.351 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 0.303 2.763 5.542 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 19.817 -8.311 -9.788 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 20.696 -8.654 -14.133 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 -6.074 5.647 -3.983 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 -16.308 -10.367 13.163 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 -2.240 1.195 -2.358 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 -0.048 -7.008 -1.330 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 4.013 23.892 9.335 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 -2.390 -0.079 -9.069 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 -1.550 1.540 -1.895 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 5.183 6.185 4.091 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 23.848 -14.084 7.682 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 4.238 5.532 -4.923 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 14.210 2.418 -4.723 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 -0.473 5.974 -4.746 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 0.817 -1.436 -1.931 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 4.628 1.422 -5.208 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 2.652 1.195 -3.270 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 -3.359 -2.971 -0.830 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 -4.097 5.334 -7.851 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 -4.282 -16.363 2.547 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 2.941 1.427 0.337 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 6.067 8.260 0.465 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 10.992 -25.970 2.311 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 -0.480 2.716 1.420 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 1.930 25.575 -16.644 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 -1.141 17.189 -8.675 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 3.027 0.305 6.672 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 -3.247 -13.697 -3.301 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 -8.088 -0.966 34.060 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 5.375 5.011 1.900 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 -2.222 17.879 -8.299 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 -12.604 5.042 1.877 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 2.203 -2.136 6.064 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 3.977 0.750 8.931 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 13.027 -8.238 3.600 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 1.204 4.251 2.524 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 1.459 4.316 17.008 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 -13.784 -16.210 5.240 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 8.435 4.037 -0.458 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 31.883 9.876 -15.049 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 8.956 -8.654 9.718 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 -1.794 -1.275 3.207 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 -3.540 2.976 0.379 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 -6.637 24.820 -22.294 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 -2.620 -1.712 1.046 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 -13.181 10.032 5.964 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 3.392 -5.319 1.574 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 1.046 2.849 4.006 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 -7.901 -11.521 3.494 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 2.107 23.990 6.699 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 2.938 1.132 1.173 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 18.191 -6.973 -15.475 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 -28.702 -21.794 40.682 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 8.602 2.353 3.903 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 -30.843 0.339 6.564 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 15.112 -25.759 -20.950 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 -7.661 5.769 -3.548 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 -1.500 2.627 -14.805 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 -12.244 -17.903 -23.156 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 -3.441 -5.087 -1.375 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 -11.318 -5.794 -3.153 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 3.671 8.706 -1.771 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 2.340 5.634 -1.247 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 -7.482 6.480 -3.922 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 -0.211 21.348 -3.510 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 -4.146 -5.389 -1.643 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 15.935 2.719 -9.902 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 -24.646 -11.274 5.005 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 -3.200 -3.279 0.944 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 6.576 0.872 2.454 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 -24.419 15.639 -21.297 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 4.567 7.054 -3.304 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 8.258 -9.228 -14.087 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 15.155 4.768 10.893 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 1.037 1.075 1.296 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 -0.301 -1.299 5.505 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 -0.807 -1.589 -3.029 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 -0.298 5.229 -5.740 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 -14.024 1.603 -4.548 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 23.403 -7.185 7.636 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 -3.884 0.389 -5.421 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 -7.626 22.236 -2.312 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 -11.334 -17.166 3.890 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 -3.363 -0.745 -6.758 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 -5.357 5.999 -12.070 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 -0.619 3.169 1.857 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 -0.838 -2.994 -0.510 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 -4.039 -10.183 -12.956 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 0.898 -15.193 2.518 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 4.709 -5.171 2.169 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 3.175 0.957 -9.029 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 -2.704 -8.609 0.958 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 3.245 -4.671 -0.536 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 -8.997 -15.997 -0.101 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 9.554 25.894 -10.250 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 -4.035 -1.973 -2.558 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 -8.990 7.676 11.863 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 13.340 4.786 15.914 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 3.363 -3.418 -0.304 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 -17.767 10.973 33.313 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 11.364 -5.714 2.365 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 -2.232 2.770 1.644 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 -12.201 19.954 -1.453 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 7.002 16.446 -8.430 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 1.490 1.324 -0.385 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 -3.405 8.010 19.428 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 -13.335 3.723 -18.335 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 -6.695 4.366 3.248 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 27.186 -0.394 -15.885 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 -25.967 24.757 -10.241 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 4.960 0.983 -2.227 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 4.103 2.163 -9.145 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 2.934 2.790 -10.548 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 3.168 3.902 -4.294 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 -11.257 -5.813 -10.915 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 -5.901 -13.297 12.718 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 -1.039 0.936 4.773 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 -12.184 -8.691 0.629 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 -13.461 11.627 18.987 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 -2.282 4.136 -2.588 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 6.960 -6.895 4.557 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 -12.054 9.626 9.225 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 4.319 3.565 -3.827 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 -1.970 3.149 -21.937 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 12.295 26.136 3.374 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 -1.751 6.546 -0.475 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -13.310 -9.050 4.667 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -6.459 9.254 -17.244 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 -2.750 -3.536 2.227 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 -9.126 -11.815 -22.476 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 8.720 -25.949 13.985 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 1.338 0.655 -3.694 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 -1.067 10.084 2.216 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 -23.267 9.744 -14.968 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 -6.598 0.929 3.225 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 2.706 0.496 0.271 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 -13.786 8.159 -8.771 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 -5.319 2.046 6.736 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 3.728 -6.548 14.313 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 7.466 -12.603 9.299 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 -1.583 1.915 -0.491 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 2.461 -6.854 13.908 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 -4.931 6.323 -14.486 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 -1.870 5.310 -3.676 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 -0.107 5.550 -7.689 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 -3.776 12.003 -4.492 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 -7.633 0.322 -5.117 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 -8.615 -9.106 -6.523 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 -2.100 -2.647 -4.253 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 -1.254 3.566 -4.677 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 6.169 -32.907 -9.658 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 -15.548 5.558 26.966 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 -7.100 -3.052 6.135 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 1.364 5.203 10.553 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 -3.263 -29.835 -1.898 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 -1.552 0.732 6.126 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 -3.839 6.727 -4.888 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 -4.915 2.334 -12.675 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 -0.086 5.374 -1.870 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 -8.719 4.799 31.348 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 5.953 9.406 1.595 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 -2.858 -0.665 -0.012 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 -17.552 10.782 19.430 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 13.491 -15.873 -11.719 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -2.588 0.742 1.378 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 10.095 1.008 7.592 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 -2.479 -13.225 -13.887 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 -0.541 -1.870 -3.744 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 -0.140 3.257 7.135 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 20.377 3.044 8.978 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 -1.775 -0.964 -0.124 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 4.182 -17.914 4.759 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 -0.181 -1.445 -11.810 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 -5.502 -4.114 4.018 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 -9.053 2.705 15.185 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 -13.173 -2.421 -7.987 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 2.024 3.658 -5.217 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 2.799 -4.473 -14.583 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 3.716 -9.245 -4.253 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 2.931 1.799 -1.944 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -24.163 -18.662 -21.261 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 -16.774 -18.471 -9.944 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 0.848 5.419 -6.865 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 17.603 -24.594 -9.017 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 -1.786 9.790 23.632 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 0.270 5.183 2.057 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 1.227 4.664 11.378 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 -0.269 5.612 -5.573 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 -4.277 4.749 -2.697 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 -25.371 7.518 9.260 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 -10.987 -5.656 2.884 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 -2.417 5.839 5.888 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 -4.621 -2.917 15.064 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 -0.009 -0.193 -2.264 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 -1.489 -4.821 6.292 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 -22.132 -1.874 6.230 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 -7.032 6.730 6.728 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 2.864 -4.205 -2.225 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 8.721 4.579 3.529 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 3.417 -14.945 15.298 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 1.565 0.869 3.161 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 -3.991 9.279 0.524 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 -3.410 -4.150 8.461 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 0.358 -6.928 -0.488 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 -2.976 -8.573 7.736 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 0.664 -13.001 23.506 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 2.443 4.871 -0.348 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 5.047 2.054 13.919 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 14.494 0.836 -2.676 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 1.779 -3.263 5.367 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 -3.422 9.988 -26.032 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 7.032 -12.155 20.371 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 -6.255 2.969 -5.229 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 -2.659 13.407 -14.223 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 -9.113 3.578 -5.053 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 1.927 -3.617 -2.578 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 10.162 1.558 -1.771 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 -0.777 -5.246 -10.830 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 6.516 6.395 1.238 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 -2.070 -0.707 10.474 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 6.123 6.560 2.276 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 3.919 -1.357 2.036 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 8.302 6.006 17.628 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 3.736 -10.797 6.794 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 -5.441 -3.475 -4.517 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 17.781 0.665 -7.392 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 -6.015 -7.154 -1.217 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 -2.208 4.117 -0.168 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 -6.218 16.127 -3.921 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 -5.700 19.372 -8.872 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 -0.136 -0.165 -5.379 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 4.312 -9.500 -21.199 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 8.206 6.974 1.149 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 0.047 -0.992 -4.176 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 -4.848 -13.179 8.589 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 1.025 3.042 -3.113 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 0.367 4.709 -0.178 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 -0.943 -8.462 -10.617 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 -5.831 10.409 -3.865 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 4.669 -11.875 1.649 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 16.331 10.436 17.448 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 27.470 7.679 -11.296 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 2.155 2.362 9.039 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 5.042 21.180 -3.464 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 4.551 0.834 11.877 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 -0.167 5.440 2.698 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 1.850 16.273 12.511 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 -4.001 18.693 8.646 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 0.954 3.636 -4.545 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 29.065 17.483 15.960 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 -12.318 8.013 -8.896 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 -1.478 1.128 -2.276 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 17.701 -0.908 -7.545 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 0.458 3.178 -6.170 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 11.064 5.799 4.494 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 -5.662 23.630 0.629 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 5.454 4.332 8.537 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 -3.491 4.582 0.785 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 -6.870 11.638 -8.095 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 -2.768 -3.400 11.196 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 -8.947 -1.721 9.552 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 -17.790 -2.860 1.223 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 4.853 -2.085 23.385 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 -8.283 -6.660 -2.411 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 2.040 0.186 18.351 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 -13.125 -5.660 25.448 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 -6.060 -2.339 -1.587 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 6.690 -4.363 1.668 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 -7.608 -21.397 -25.720 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 -3.910 1.646 0.676 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 12.561 -17.389 -17.470 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 17.040 2.673 -0.969 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 2.551 -2.173 4.116 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 -6.977 -8.185 -9.527 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 -11.439 -10.231 -0.196 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 -0.159 1.294 -3.360 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 -3.546 1.666 -32.159 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 -11.760 0.205 13.077 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 -2.962 -3.767 1.369 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 12.832 0.473 -1.434 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 -10.490 -7.391 -12.518 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 -4.238 -1.267 0.486 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 -14.105 -10.614 -0.820 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 -6.958 1.413 -16.711 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 0.367 -1.878 -0.269 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 13.895 3.934 -10.288 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 -7.131 7.614 -4.153 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 -2.267 1.309 -6.877 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 -0.119 -4.236 -10.349 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 -18.246 -6.003 -2.002 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 -5.674 -6.503 -3.950 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 3.746 21.232 -2.480 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 -6.037 3.343 -15.064 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 1.568 0.678 4.152 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 -12.604 -7.369 21.617 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 -4.946 7.352 -8.674 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 5.063 -3.632 -1.184 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 -19.141 3.936 4.527 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 16.021 4.140 13.665 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 0.156 2.444 7.055 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 -9.039 -8.240 10.009 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 -9.135 2.921 4.813 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 0.250 -0.240 1.576 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 -6.683 -8.703 -16.224 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 -9.773 -10.183 -14.709 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 3.590 4.451 -8.859 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 6.898 -2.831 1.101 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 -22.422 2.820 23.462 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 -4.397 -4.047 4.238 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 9.645 -17.350 9.244 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 12.236 -8.432 -20.132 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 -2.544 0.087 -4.948 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 -8.619 -4.002 -4.730 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 -2.789 4.507 -1.770 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 -9.598 6.051 -0.715 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 10.328 -13.928 -22.123 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 -8.376 -2.532 28.714 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 0.466 -4.747 2.700 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 -1.975 -7.988 5.187 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 -1.982 -8.573 6.389 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 5.391 5.362 4.357 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 -3.781 10.510 -0.611 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 -9.605 26.736 -2.467 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 3.110 0.444 -7.180 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 -21.853 14.087 -20.493 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 -1.038 -30.611 -17.142 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 2.477 -7.287 -0.072 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 9.547 -9.908 -1.446 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 7.168 -7.811 1.857 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 -7.386 -5.991 0.563 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 21.937 -4.868 -21.559 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 -7.782 -23.445 27.864 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 3.883 -1.843 1.640 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 6.382 14.175 -11.918 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 -11.802 7.050 21.646 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 -1.127 3.357 -0.726 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 -12.165 24.125 12.443 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 5.421 6.084 5.386 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 0.417 3.050 -9.626 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 34.338 3.924 -1.716 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 -3.907 -6.972 -7.402 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 -1.957 -3.451 6.754 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 -4.341 -3.175 -3.024 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 -5.651 -8.604 4.102 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 -2.760 -1.857 -0.495 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 -2.292 18.918 -15.144 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 14.483 4.548 -6.423 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 6.461 -1.679 0.819 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 23.908 -15.171 5.158 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 -15.908 -10.622 -4.745 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 -3.949 0.752 2.960 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 11.602 21.104 -2.429 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 -12.027 2.145 -8.861 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 -0.782 -0.834 7.468 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 -0.419 -13.430 12.795 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 -1.647 0.205 9.154 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 2.535 1.713 -8.700 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 2.357 -8.351 -5.471 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -0.423 -0.427 -23.642 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 -4.595 0.494 -3.013 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 14.293 14.118 -9.671 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 -6.720 -14.821 -20.933 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 5.683 8.891 -4.731 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 -18.234 -5.708 6.170 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 -7.243 0.845 -1.138 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 -0.873 5.565 1.436 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 3.852 0.429 -0.402 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 6.421 5.118 6.140 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 3.663 -6.634 1.620 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 -24.023 14.246 3.449 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 -10.997 13.048 18.913 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 0.855 -5.653 -0.767 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 18.898 -14.332 6.471 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -17.032 -15.163 -0.103 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 -5.643 3.728 2.500 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 -13.129 -1.067 -2.477 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 2.091 7.294 6.158 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 -4.472 -0.112 -2.513 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 -13.366 -20.444 -2.026 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 -6.550 -5.891 -2.827 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 -2.420 -0.382 0.522 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 -0.282 -0.606 -3.148 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 3.335 -5.072 5.126 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 3.753 2.576 3.805 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 26.309 2.247 1.443 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 2.225 -25.788 -2.675 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 -4.806 4.410 7.206 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 -6.054 11.844 3.990 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 -9.608 16.860 0.030 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 -1.397 6.531 5.042 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 -16.145 -5.646 -14.662 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 22.974 8.377 -6.435 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 0.195 0.707 -0.241 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 1.796 -0.889 -0.136 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 11.366 1.323 -7.082 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 -5.276 6.361 -3.398 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 -11.307 22.062 -10.949 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 -0.456 -8.655 5.336 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 3.686 -1.331 2.222 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 -2.670 -8.454 -20.081 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 6.789 -1.390 9.931 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 -6.288 9.488 -5.915 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 -1.303 5.471 -7.577 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 -11.742 -13.076 -7.213 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 0.095 -1.706 0.734 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 0.135 -0.992 5.025 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 -5.598 -3.710 1.317 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 8.179 -4.709 1.044 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 5.785 14.953 -3.901 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 -0.984 -10.845 6.730 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 -4.239 -0.584 -2.040 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 17.782 19.691 -0.514 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 4.171 -18.417 6.674 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 3.072 -4.004 -3.415 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 -8.190 -10.099 17.157 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 1.427 -5.184 0.613 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 0.932 4.883 -1.307 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 5.851 -2.511 -2.513 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 -1.570 2.168 -3.801 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 -9.477 7.422 -1.327 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 -13.821 5.474 -7.722 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 -4.196 10.014 4.357 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 0.876 -2.656 -6.676 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 12.467 -15.670 6.930 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 2.815 -6.731 -4.941 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 -0.223 4.079 -5.426 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 -11.552 -2.081 1.120 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 2.921 26.033 -20.075 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 4.765 2.659 5.331 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 20.406 -20.733 -2.975 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 -8.436 7.277 4.309 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 2.060 1.917 4.401 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 9.405 -23.724 31.692 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 -2.913 11.361 5.421 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 0.891 1.808 3.294 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 -8.260 -1.017 -0.814 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 -3.320 10.165 6.300 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 4.394 -4.412 4.591 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 -13.652 -19.549 -17.616 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 -12.416 -8.982 -12.291 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 1.370 -0.976 -1.153 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 -11.946 -3.104 2.028 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 3.088 -0.769 -17.917 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 -5.195 0.550 -2.899 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 -1.411 13.775 1.060 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 -15.713 -6.893 2.059 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 -1.311 -3.880 -0.998 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 -23.551 -6.740 -6.341 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 -2.258 1.733 3.712 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 -1.268 12.492 3.183 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 12.458 17.015 16.161 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 4.742 -5.764 -14.326 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 3.482 -2.025 -4.856 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 2.090 0.358 -5.731 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 1.947 -5.743 3.834 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 5.378 4.455 -3.217 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 8.415 -5.873 -3.263 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 -8.774 13.693 -10.247 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 0.364 -2.873 -3.037 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 2.130 -5.329 -3.811 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -4.278 7.785 -2.305 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 -3.272 1.489 5.133 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 -15.858 -7.215 -1.410 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 5.456 7.548 17.045 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 -3.651 -3.844 11.491 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 28.548 3.431 -0.819 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 10.201 -0.876 13.498 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 -2.133 -5.157 13.555 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 -14.217 4.784 -12.216 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 -4.916 -3.822 14.097 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 -0.126 -0.577 -3.145 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 5.441 0.757 -6.711 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 -3.502 -3.326 -0.964 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 5.025 -1.967 -2.135 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 -8.755 25.456 14.637 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 -19.763 3.290 16.056 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 -1.284 -6.541 4.479 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 10.244 -3.800 -0.311 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 11.786 -6.991 -0.592 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 -2.851 1.132 -1.560 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 -18.157 3.844 -7.609 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 -1.813 4.378 -2.781 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 -4.180 4.979 0.193 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 -3.859 -6.748 -17.813 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 20.578 -6.092 -3.756 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 -2.311 0.091 -5.142 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 -1.598 7.320 -15.213 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 -3.696 -2.692 -6.822 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 -1.834 -2.260 -3.103 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 8.211 5.012 -21.044 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 8.758 -43.086 5.841 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 -3.464 1.665 -3.385 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 -7.803 0.433 -1.702 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 4.000 -7.198 5.673 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 -4.082 5.489 0.004 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 13.483 18.360 -4.837 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 -2.228 -8.753 -9.484 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 0.235 -5.014 -2.353 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 3.835 16.127 -3.172 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 -14.945 -8.940 -17.185 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 -1.993 3.067 2.953 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 -3.460 -8.500 1.644 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 12.286 -2.755 6.062 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 0.778 1.120 -0.647 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 1.186 -3.505 -2.569 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 0.843 3.357 2.949 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 1.699 -1.984 0.200 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 10.559 3.480 -5.176 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 -4.381 -9.636 -7.397 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 -0.258 0.374 0.981 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 5.880 6.114 -4.854 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 -0.196 -2.105 -6.923 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 2.190 -5.340 -1.722 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 17.497 -24.194 -26.128 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 -1.259 0.516 2.357 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 0.397 4.633 -3.178 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 0.225 6.109 -4.528 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 0.876 3.853 -2.997 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 3.039 -3.115 1.051 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 -1.671 -14.096 -5.024 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 5.346 -6.563 13.398 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 -7.153 0.168 -2.841 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 18.988 -9.570 -1.025 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 -24.313 25.575 36.210 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 3.512 -3.624 -2.870 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 -13.491 -6.480 -7.681 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 -5.731 -2.696 5.363 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 3.091 -4.686 -0.851 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 8.165 -24.852 -15.440 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 -13.144 -4.099 9.934 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 -1.745 5.110 -1.822 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 -16.897 -4.511 3.276 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 13.270 15.407 -2.771 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 3.632 -1.284 -3.277 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 -5.405 8.986 -0.751 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 21.822 -24.820 -6.711 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 -0.223 4.259 1.084 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 -5.766 -26.921 5.614 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 -1.574 11.516 -2.410 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 1.409 2.741 -0.617 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 -15.157 -3.259 -10.020 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 8.062 6.759 1.102 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 2.942 7.054 -3.140 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 7.603 16.355 -6.753 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 1.062 -2.822 -9.232 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 -0.419 0.945 4.578 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 0.048 -16.382 10.882 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 -19.080 -11.830 -1.290 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 1.568 -3.946 7.219 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 -0.300 9.321 5.915 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 -4.036 -9.796 -2.696 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 1.770 6.773 -2.583 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 3.896 19.371 9.513 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -9.742 -5.250 18.961 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 -1.471 -0.239 3.550 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 -7.175 -1.545 -12.688 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 -16.146 -13.600 11.257 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 -3.556 0.245 1.992 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 -12.417 22.439 -12.523 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 14.375 -4.773 8.797 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 11.176 -3.240 0.654 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 8.081 -16.529 4.490 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 20.794 7.360 -9.943 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 8.331 2.870 -2.445 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 24.749 -6.963 -9.040 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 10.724 -10.173 -24.948 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 -0.278 3.634 4.364 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 -0.199 1.707 6.585 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 -4.982 2.613 5.685 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 -6.717 7.322 2.098 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 2.181 -16.544 13.828 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 -9.049 19.551 -1.336 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 -3.065 2.408 3.043 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 10.416 23.675 19.240 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 0.296 -10.465 -5.456 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 1.433 -4.039 -0.598 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 0.219 15.595 -9.772 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 -0.492 -0.381 11.771 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 -0.136 4.923 0.077 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 -2.663 -1.289 5.470 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 13.010 27.157 -7.644 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 0.579 -0.659 -0.470 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 1.351 -1.915 12.699 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 -2.721 1.864 12.544 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 -4.163 -0.775 -2.733 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 -13.465 8.942 -30.151 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 -5.744 6.147 -11.562 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 1.698 -1.072 -1.738 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 -16.692 10.410 -2.159 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 -0.243 -12.333 15.967 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 -1.552 4.926 -1.375 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 12.479 31.778 -6.916 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 12.418 4.670 12.706 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 2.807 0.351 -1.596 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 2.772 5.176 -13.251 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 8.686 -15.539 -3.566 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 2.818 2.596 3.709 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 10.487 -4.893 29.427 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 9.607 -0.889 22.788 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 1.874 4.264 -4.363 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 1.083 -10.433 -10.877 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 -9.329 9.988 5.640 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 2.044 -6.227 6.644 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 -1.078 -10.502 8.124 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 -3.809 0.543 7.025 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 -2.712 -5.761 1.295 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 -6.134 -16.341 -0.618 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 -5.619 -3.995 3.362 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 3.814 -3.587 -8.651 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 3.850 9.021 -4.557 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 3.439 -0.156 7.929 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 4.205 4.777 -0.975 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 25.377 12.838 9.758 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 6.625 -10.606 -16.663 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 1.299 -0.131 3.930 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 -14.585 7.368 -19.757 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 31.901 1.544 -10.167 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 -0.890 11.718 0.935 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 -20.575 -10.811 -5.880 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 0.993 7.615 -4.145 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 -1.005 2.739 2.947 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 8.966 2.291 -11.753 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 7.675 15.114 8.776 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 -2.708 7.964 5.756 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 -7.650 7.118 19.436 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -1.858 -3.023 -9.917 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 1.058 3.556 -2.529 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 -2.633 9.105 4.228 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 1.265 17.053 -22.982 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 -1.172 4.187 4.039 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 16.778 10.708 -19.454 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 8.602 5.718 1.969 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 4.389 -7.386 -8.524 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 -3.980 7.608 -10.472 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 8.708 -7.017 9.093 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 1.536 1.869 1.054 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 -20.284 -2.361 -4.939 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 -38.445 -2.035 -9.016 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -1.630 -5.126 2.949 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 10.499 1.006 -24.679 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 17.508 -4.210 4.724 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 -0.824 1.708 5.791 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 34.649 4.015 -17.746 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 -10.210 0.167 -0.343 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 7.832 0.267 3.616 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 4.757 -9.683 -4.569 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 6.470 5.030 2.827 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 8.100 0.972 -4.951 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 4.334 -1.057 -12.726 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 1.398 -2.180 -15.388 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 5.726 -1.278 6.377 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 8.012 -1.904 5.053 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 -1.186 -1.403 8.888 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 8.390 8.209 0.719 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 30.332 -3.330 -21.652 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 -22.037 7.168 16.483 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 4.027 -3.050 1.100 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 -0.185 8.039 -4.506 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 3.085 -0.758 2.207 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 -4.696 -12.006 -0.911 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 -6.829 -4.193 5.082 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 2.090 2.536 1.661 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 6.736 2.060 -0.328 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 12.188 1.927 1.608 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 8.387 -16.415 -15.918 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 0.732 7.022 0.630 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 -2.448 -0.531 -0.025 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 0.757 19.731 6.209 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 -0.475 1.506 -2.803 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 -8.934 -11.025 5.656 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 -7.166 -6.088 1.346 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 -3.654 -4.010 -0.485 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 -14.663 -5.122 -3.160 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -3.547 7.287 -0.707 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 -1.886 2.777 -2.274 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 -10.938 2.092 -5.043 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 -0.699 2.648 -2.130 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 3.397 -2.063 5.161 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 3.359 -1.470 17.919 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 -4.715 -21.535 22.851 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 0.657 -3.962 -5.400 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 -16.486 -21.010 5.656 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 5.152 -31.087 9.165 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 4.829 3.662 0.306 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 -1.000 9.971 -0.674 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 -1.441 2.219 -3.321 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 -2.749 -0.385 4.734 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 22.766 -58.144 -18.694 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 18.004 -17.366 2.306 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 -2.691 1.426 -4.670 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 -0.286 2.678 2.656 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 -16.154 -3.592 -5.300 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 1.646 -5.645 -1.157 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 -1.363 -11.385 -4.897 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 4.832 1.890 -2.663 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 4.560 -2.764 -6.826 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 14.737 -0.309 -4.843 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 27.379 3.956 9.704 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 -1.574 -4.417 -0.192 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 13.542 -10.299 0.820 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 2.215 10.858 -3.113 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 2.770 -2.346 2.452 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 40.699 -14.086 20.232 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 24.157 -9.724 1.681 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 -2.481 -5.016 4.185 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 5.318 0.883 3.663 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 -2.963 0.018 0.751 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 3.302 -0.926 -5.901 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 -5.141 3.591 -6.060 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 -13.040 8.466 -5.960 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 3.598 5.541 -6.572 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 4.993 -12.573 1.291 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 -5.677 19.437 -13.692 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 -5.585 -5.189 2.683 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 2.256 -17.498 -13.696 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 6.164 -5.817 -16.967 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 0.281 1.102 1.722 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 -9.783 -9.918 -15.134 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 17.304 14.904 13.660 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 9.248 2.619 0.371 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 -1.208 18.224 -14.873 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 -1.300 -14.378 -0.502 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 -1.892 -4.549 -2.017 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 10.373 -25.630 6.986 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -25.909 -13.428 -33.840 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 -6.318 0.957 -0.769 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 -7.632 2.522 -1.315 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 -11.216 -3.757 -3.963 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 -2.034 0.895 1.531 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 -5.366 1.052 -17.666 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 -4.059 1.045 -8.518 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 -4.770 -3.609 -1.179 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 -6.231 15.928 5.363 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 17.077 -7.392 -2.605 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 6.084 -1.725 6.767 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 2.182 0.698 19.702 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 1.324 -7.195 -7.938 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 3.858 -1.334 5.091 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 5.163 7.852 18.453 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 -0.364 -2.078 -8.155 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 -7.588 5.782 -0.083 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 -18.382 -0.718 -7.470 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 14.668 -19.216 1.259 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 -1.349 1.792 1.295 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 -9.042 7.147 -7.728 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 -6.806 -9.153 3.947 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 3.603 -3.567 -0.214 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 1.975 2.186 -12.474 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 15.563 0.997 1.862 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 -5.953 5.598 1.053 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 12.747 -14.674 -13.874 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 -34.387 0.471 17.116 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 -1.394 4.183 -3.851 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 -3.501 8.062 -8.851 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 -2.136 8.752 1.948 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 -1.355 -3.257 2.339 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 10.719 -8.504 -10.790 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 10.374 29.523 -4.727 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 -6.103 -1.052 -1.381 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 -7.369 6.360 -0.281 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 -1.750 -2.782 4.101 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 6.152 0.037 -0.734 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 -0.146 11.729 -16.706 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 17.244 16.773 7.099 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 -0.478 3.963 0.417 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 0.415 -23.107 -1.840 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 9.704 22.586 10.112 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 -0.349 3.985 -0.150 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 20.449 -1.197 2.963 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 3.663 -2.035 -5.267 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 1.310 -1.329 2.967 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 16.722 10.737 1.028 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 -5.603 -4.458 15.229 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 2.727 -2.917 -3.760 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 -6.571 5.889 -1.833 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 5.603 -18.876 -4.319 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 -2.426 1.907 1.759 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 1.384 -3.101 0.308 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 -15.971 7.107 -1.834 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 -2.515 -3.575 0.823 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 -3.381 -5.714 -20.682 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 -19.233 11.478 6.036 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 -1.261 -3.594 -2.381 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 -13.160 8.909 -12.239 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 -16.553 21.887 -18.722 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 0.118 -5.775 -0.966 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 -20.237 8.735 -16.280 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 6.073 -9.192 4.428 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 2.493 0.976 2.260 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 33.814 3.145 -16.620 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 -9.253 -2.881 -18.105 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 -4.072 -7.825 4.576 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 -11.125 -8.246 3.780 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 -6.692 -7.412 4.054 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 4.332 -1.075 3.137 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 0.209 -1.730 -0.517 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 23.484 2.543 9.093 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 -3.597 1.595 8.291 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 -18.223 23.416 -14.886 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 11.973 -26.680 -11.379 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 3.184 6.203 -2.349 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 -3.325 7.959 5.552 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 -20.296 19.068 8.703 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 3.646 -1.407 -1.618 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 7.903 2.911 -1.563 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 8.194 6.892 0.805 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 -1.454 -0.901 -2.425 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 -3.091 9.108 -1.013 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 -0.980 -3.305 -0.867 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 1.680 2.367 -3.180 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 -9.702 -1.110 -3.693 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 19.342 -4.460 4.457 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 -1.896 5.109 3.504 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 -4.464 2.494 0.729 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 4.942 -0.241 17.755 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 -3.024 -0.017 -7.231 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 -5.399 0.754 -4.843 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 7.554 -5.342 -20.252 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 2.004 4.482 -2.090 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 -11.038 -8.205 13.581 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 15.755 -8.676 -12.022 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 1.191 6.108 0.564 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 10.846 -5.742 6.729 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 12.666 10.256 -5.525 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 2.977 -4.496 4.528 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 27.579 -8.622 -2.812 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 -7.673 -5.585 13.198 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 -0.969 3.656 -8.163 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 -7.240 -13.662 -16.040 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 7.518 27.350 0.440 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 0.787 4.005 -6.006 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -1.961 7.533 -5.287 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 8.974 0.274 -10.100 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 0.080 3.133 -0.568 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 -9.317 -13.529 -10.012 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 3.057 7.441 -2.572 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 -2.984 2.194 1.453 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 -3.615 3.443 2.704 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 -4.321 6.909 3.926 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 -0.458 -2.353 -1.704 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 6.905 -3.201 -10.501 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 -1.034 -4.986 -6.069 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 -3.940 -1.794 3.813 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 -8.676 -0.093 -9.764 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 -17.836 -9.883 -2.606 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 3.617 2.062 -5.567 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 1.094 -3.150 -13.458 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -5.095 0.940 -2.686 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 3.464 2.444 11.493 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 24.276 18.742 -19.754 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 -13.141 5.479 11.642 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 -4.160 2.210 4.757 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 9.146 10.205 6.492 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 3.553 6.956 5.701 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 -0.764 -2.289 -0.060 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 -4.632 -2.988 2.836 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 -18.830 -1.791 1.074 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 -3.312 3.677 -4.641 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 8.283 3.420 13.065 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 11.872 -14.387 -9.239 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 -0.203 -7.962 2.660 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 2.987 -14.660 5.240 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 0.253 -9.127 -1.004 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 -2.006 -4.996 0.350 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 6.822 -5.020 4.630 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 -0.384 -7.492 9.692 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 -3.098 -1.740 2.449 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 -6.171 12.428 12.991 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 9.707 4.631 -21.870 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 0.527 0.984 2.959 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 -1.984 -5.617 25.447 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 -13.546 -6.743 -4.118 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 -6.046 3.857 -5.556 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 -2.947 7.600 5.563 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 16.513 10.445 -11.008 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 -0.889 3.900 7.552 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 17.866 -5.407 -18.936 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 -7.300 8.083 8.715 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 -1.463 -0.133 1.560 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 -1.338 1.363 3.785 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 -2.304 1.227 -3.742 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 7.043 -2.616 -2.307 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 -15.985 8.434 3.273 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 -6.384 -16.739 6.807 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 -0.765 -1.463 -1.375 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 2.240 6.159 1.590 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 3.528 7.200 2.944 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 2.261 5.666 -2.611 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 22.518 -2.092 -3.465 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 30.662 0.381 -0.824 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 -0.551 -4.179 -4.067 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 -5.191 -18.405 -11.572 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 4.196 7.926 2.461 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 0.483 -6.222 -0.579 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 -5.423 24.019 -24.009 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 -18.251 10.384 -4.943 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 1.391 -2.721 -2.919 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 -1.123 18.425 -6.477 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 13.634 -25.017 3.586 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 -0.703 6.540 -4.827 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 -2.521 -0.707 -5.124 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 -2.408 9.121 -12.726 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 3.104 7.584 0.903 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 12.335 -7.784 6.164 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 26.234 10.851 -0.313 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 -1.586 2.855 -8.873 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 -2.698 0.098 -9.294 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 -4.910 1.680 -11.780 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 7.299 2.433 2.550 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 -16.524 7.330 -3.128 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 -4.569 5.300 3.349 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 1.845 -0.643 -0.675 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 3.924 1.965 -4.683 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 27.974 -13.234 9.687 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 0.481 4.038 5.998 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 -0.024 -1.599 9.834 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 18.239 -11.712 23.180 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 -1.723 3.292 1.480 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 -21.852 12.685 5.810 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 4.668 -6.307 -15.519 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 4.329 5.842 -6.775 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 -18.094 -9.869 0.509 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 7.397 26.500 -19.819 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 1.783 2.235 -2.714 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 -10.433 -29.736 -5.254 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 -20.026 -10.517 -14.592 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 0.710 3.614 -10.044 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 -8.161 -2.099 -3.626 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 1.289 11.365 -28.523 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 -7.492 -6.340 2.213 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 -11.077 -12.698 6.916 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 -0.797 0.729 8.895 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 0.837 -1.634 4.789 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 10.822 5.597 -15.564 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 11.005 0.904 8.952 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 -2.474 -0.428 1.831 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 0.041 -17.312 14.158 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 21.769 8.628 -6.662 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 -5.006 -2.576 -4.296 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 -5.859 -8.320 -12.794 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 1.724 -13.326 -14.102 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 0.475 -0.170 -5.167 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 8.419 6.785 11.752 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 -9.141 -5.236 3.021 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 -0.082 3.683 -8.663 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 -2.997 1.359 -7.539 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 3.976 6.268 -4.120 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 -5.273 3.228 3.959 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 2.848 2.488 2.917 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 -14.406 1.918 -4.113 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 -2.629 1.339 -0.308 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 3.159 6.714 -0.625 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 2.963 10.216 -2.093 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 -8.305 -3.995 -0.965 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 -21.779 -5.285 -9.246 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 3.430 -25.055 27.576 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 -0.110 2.794 -3.258 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 -10.724 27.354 -25.991 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 -28.113 6.823 24.337 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 -9.173 4.723 -7.128 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 -12.581 -1.006 -19.780 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 -8.251 6.043 -0.575 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 4.686 -0.529 -5.401 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 9.625 -2.751 13.855 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 -2.849 -13.173 -3.599 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 -0.416 -1.134 -1.037 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 -20.726 21.344 9.981 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 -1.352 7.168 -15.991 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 -1.707 3.252 -4.264 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 -13.786 -5.126 -12.279 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 -20.578 -2.014 7.433 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 -1.243 -2.316 4.610 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 -2.341 -7.643 -0.227 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 1.377 -9.432 7.672 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 2.227 0.970 3.905 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 5.473 -5.748 -6.741 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 11.947 -12.833 -4.746 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 9.543 -1.229 3.146 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 12.644 9.587 4.090 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 5.303 9.573 0.673 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 0.296 2.371 3.945 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 -16.627 -11.946 -13.946 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 1.921 0.659 8.827 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 0.701 0.601 2.980 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 1.592 -8.884 14.998 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 -2.713 16.048 12.373 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 7.077 -0.572 1.993 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 -12.276 11.453 -6.596 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 9.920 -14.984 7.206 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 -2.910 -3.752 0.298 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 -6.076 -10.516 -1.317 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 23.338 33.134 19.092 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 -1.962 -3.582 0.966 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 5.685 -11.510 3.347 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 -8.488 -7.937 5.550 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 3.868 -6.928 2.238 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 5.616 -7.334 3.164 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 11.858 -0.670 2.694 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -4.249 0.492 -3.797 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 -0.770 -3.800 2.496 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 1.346 -22.470 -25.403 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 -2.346 0.648 -4.176 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 5.046 -8.029 -2.558 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 15.335 -21.943 -33.887 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 0.851 -1.125 0.935 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 1.097 -11.122 7.738 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 15.377 0.238 15.759 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 -3.411 2.552 2.478 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 -5.670 5.524 5.614 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 -8.553 7.540 7.331 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 -9.402 3.055 7.048 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 -19.054 -11.886 1.366 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 -7.624 -28.915 1.186 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 -2.291 -3.534 1.626 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 3.279 3.666 8.370 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 6.909 -19.907 -8.822 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 3.458 3.365 -3.506 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 4.932 -8.899 -4.268 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 -2.998 8.414 -6.281 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 -1.891 1.838 -0.446 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 -23.550 9.831 -6.963 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 5.444 23.894 -3.107 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 -0.538 -2.158 1.955 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 -2.768 3.369 4.083 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 -10.399 -24.826 -7.664 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 3.555 1.824 2.895 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 12.392 18.104 -4.558 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 16.659 11.226 3.767 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 3.266 0.733 5.712 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 8.674 -26.994 16.056 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 -13.588 -9.113 -1.966 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 6.367 -4.014 0.142 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 -1.432 0.257 24.892 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 19.800 -8.768 24.391 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 5.790 -2.179 -0.598 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 8.752 -10.144 -4.759 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 7.303 -0.564 -2.149 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 3.668 -6.295 -3.328 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 18.396 -1.131 23.469 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 -7.641 -1.469 -0.711 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 -2.398 5.563 -5.622 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 28.058 22.509 2.525 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 -4.456 1.985 -13.909 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 -1.254 0.164 -3.785 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 0.720 3.631 -4.099 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 -3.578 -8.679 -2.476 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 -3.194 5.669 7.763 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 28.472 8.595 -21.378 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 -18.248 24.795 -0.950 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 2.809 3.813 5.864 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 -6.215 -12.377 1.431 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 -10.950 18.568 -10.920 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 -2.679 4.884 8.325 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 -12.547 -4.715 7.550 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 -12.893 -19.798 -5.203 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 1.278 0.335 5.057 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 1.580 3.881 12.708 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 -2.628 7.136 8.402 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 -7.545 -5.327 4.047 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -21.365 3.942 4.032 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 1.427 -4.607 13.515 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 -4.716 -5.910 5.843 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 -25.688 -28.164 -0.064 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 4.875 14.513 7.659 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 4.058 -0.902 5.791 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 -25.712 -6.089 0.279 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 8.194 10.638 -21.636 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 5.122 1.591 -3.411 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 -6.307 17.668 -0.818 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 6.691 0.770 -3.994 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 2.390 2.585 1.603 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 -2.488 17.768 5.324 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 -6.712 -15.593 0.653 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 -10.452 2.573 -1.928 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 -8.471 -1.069 -1.448 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 -43.647 1.529 28.637 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 4.407 3.747 2.105 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 -3.281 7.709 16.362 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 4.033 -10.930 0.361 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 2.536 -1.855 7.936 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 15.006 -10.374 -40.916 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 10.646 -1.919 -18.514 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 -0.689 2.107 0.637 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 -1.973 5.463 -11.770 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 -6.186 7.372 12.926 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 -0.229 -0.709 1.413 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 -2.025 -17.507 4.370 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 -4.296 12.598 -0.895 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 3.083 0.371 -1.948 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 0.759 15.677 -6.650 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 4.563 -6.027 -12.261 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 0.950 3.488 -4.450 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 0.664 32.421 -4.319 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 5.886 -5.756 -31.338 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 -1.884 -0.711 -3.695 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 1.466 -2.316 -6.789 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 -5.039 -8.846 -12.742 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 -10.876 -3.517 2.247 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 -7.742 -1.651 -0.732 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 -6.809 -9.370 15.921 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 -1.904 5.534 0.464 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 1.027 -6.981 2.295 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 9.377 8.588 7.062 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 -2.167 -1.082 -0.108 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 -28.437 -6.166 -2.406 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 20.401 5.131 -13.169 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 -5.368 -7.709 -0.133 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 -11.074 -14.612 -2.276 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 -7.588 -8.311 -2.776 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 1.754 -1.650 -6.169 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 -16.003 -11.198 -7.538 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 20.706 -7.490 -1.537 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 -0.096 -2.551 4.979 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 -1.657 -14.497 -5.263 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 3.481 7.112 -14.281 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 0.378 9.105 2.302 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 13.135 16.093 14.289 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 3.302 -4.306 11.152 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 2.975 5.034 6.006 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 -4.760 0.874 -1.457 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 -9.577 -8.932 2.589 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 -5.016 -2.424 -1.062 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 -4.089 -0.823 -0.975 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 7.157 10.858 -5.452 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 -6.376 6.956 3.483 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 -5.153 -23.580 9.838 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 -10.110 24.092 13.399 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 2.967 -0.213 -6.153 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 -2.213 -6.853 -9.177 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 -10.106 -3.875 -15.171 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 1.540 -3.293 3.334 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 0.540 -7.134 8.791 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 -2.375 -5.553 4.335 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 1.174 -3.653 -0.723 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 -8.226 7.732 -27.466 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 23.816 10.235 -3.908 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 4.571 1.668 -3.224 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 3.476 3.476 -0.768 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 14.259 -24.369 -2.525 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 -2.359 -1.065 1.574 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 25.156 -0.665 -2.108 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 -0.793 -10.823 19.015 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 0.388 -2.297 -0.662 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 14.273 0.899 4.579 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 -1.676 0.390 -7.225 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 2.979 5.261 5.551 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 41.931 -24.843 11.653 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 -0.841 8.544 3.805 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 2.929 -6.177 -5.272 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 16.524 -8.578 9.998 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 -13.901 -2.814 -12.980 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 1.865 -1.093 -1.873 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 1.195 8.181 4.532 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 4.853 9.008 -19.464 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 0.854 -2.298 -7.045 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 -17.015 8.909 -4.202 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 11.469 -4.383 -7.890 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 -4.396 0.326 1.255 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 -2.975 15.190 1.772 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 2.317 -18.494 -12.076 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 -2.236 -3.564 3.825 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 -8.338 -13.491 25.053 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 -18.553 9.812 7.232 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 -3.209 1.067 -0.576 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 -7.189 5.251 -9.104 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 0.769 -1.707 -8.648 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 -0.446 -3.090 -0.921 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 -6.325 -2.837 8.433 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 -18.209 -1.743 28.651 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 5.425 2.631 -1.498 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 24.853 -5.363 3.341 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 2.614 0.597 0.106 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 -5.921 -0.875 0.738 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 5.612 -1.759 -13.234 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 -14.340 -15.613 1.791 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 -5.547 -7.831 -2.267 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 -2.626 17.510 -17.417 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 -1.590 0.392 17.388 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 1.637 -2.731 0.482 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 8.216 15.741 -6.389 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 -3.128 -1.937 -7.988 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 3.467 0.386 1.460 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 -4.536 -2.109 9.586 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 -11.915 -4.266 16.877 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 4.901 3.753 2.178 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 9.008 4.240 2.083 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 -12.190 0.401 3.224 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 -3.631 2.421 -2.610 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 -1.975 -0.941 -19.649 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 -15.209 -0.149 0.001 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 -5.469 0.446 6.127 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 -3.252 -4.582 0.876 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 2.751 -1.496 4.019 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 -7.407 -0.756 2.754 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 -9.428 -4.030 6.464 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 -1.994 1.458 4.873 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 -2.743 -1.302 -0.598 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 -4.052 16.256 -4.321 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 0.848 -17.314 5.250 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 1.165 6.406 -1.900 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 40.367 -1.989 -12.011 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 -33.480 16.233 5.343 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 -1.465 -2.130 -4.778 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 7.550 -8.094 8.342 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 7.289 1.990 -11.675 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 -1.067 -1.536 1.417 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 -27.525 9.240 -6.227 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 6.697 -11.839 -3.093 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 -3.522 0.341 -3.899 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 7.093 15.814 2.454 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 2.937 6.079 4.983 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 0.050 9.472 5.584 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 4.943 4.647 2.453 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 3.449 2.972 1.664 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 0.371 3.378 -2.496 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 0.115 3.025 -0.147 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 -8.032 5.887 -4.825 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 -1.920 5.839 -3.130 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 -12.730 -7.887 -6.968 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 1.197 1.776 0.771 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 -6.505 -6.179 2.181 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 2.227 -4.946 12.399 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 -1.950 -7.713 -2.231 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 7.749 -4.185 3.421 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 -20.482 -4.773 -22.055 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 20.567 3.132 19.183 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 3.243 0.250 -4.225 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 2.951 4.726 19.540 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 5.973 2.637 11.444 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 3.184 -2.593 -4.023 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 -4.897 14.795 -7.635 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 8.154 0.143 1.499 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 -5.142 -0.379 1.316 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 -0.469 -1.987 7.101 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 13.387 -1.372 10.470 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 2.571 -3.408 2.075 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 -13.045 0.178 -5.027 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 8.580 0.321 1.973 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 -1.283 3.267 0.302 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 2.886 -1.458 5.598 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 -6.418 8.685 -2.966 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 3.554 2.923 2.732 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 5.493 5.707 -0.143 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 1.851 -10.070 -21.268 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 3.152 -1.981 -6.358 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 -10.438 -2.507 17.595 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 9.701 -5.289 22.801 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 -3.747 -2.480 0.208 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 -32.557 -0.418 12.767 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 -6.343 9.561 -29.633 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 0.749 -8.267 0.522 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 -9.148 24.370 11.721 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 -10.268 -8.712 9.906 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 -3.745 3.290 -3.941 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 -0.472 -8.567 -14.718 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 7.116 -7.071 -10.258 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 -3.754 2.797 4.110 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 -13.429 -1.411 1.444 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 -9.398 16.211 19.864 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 -7.690 1.594 0.032 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 -7.923 6.616 -11.782 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 10.191 -1.007 -1.142 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 1.190 -0.248 5.121 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 18.379 -13.226 8.207 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 -0.878 8.729 24.935 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 4.361 3.662 -3.939 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 7.613 1.825 -4.177 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 -2.251 -5.508 -7.326 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 -3.920 -4.213 -4.451 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 -15.814 -25.200 5.597 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 -4.486 -4.111 -6.038 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 2.202 3.475 2.303 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 -13.914 -20.208 -1.625 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 -2.182 -8.554 -12.385 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 -0.657 -1.722 4.170 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 12.305 7.593 -10.997 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 -15.343 9.502 4.344 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 4.287 -2.394 -3.738 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 30.751 -4.431 -11.365 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 1.405 0.015 -5.500 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 1.102 -1.525 -1.806 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 -3.097 16.846 -11.465 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 18.545 6.388 9.364 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 -2.511 -3.653 4.156 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 -9.287 2.893 -4.059 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 -5.293 0.964 -0.237 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 -0.832 -5.123 4.332 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 0.875 4.611 -18.244 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 5.775 -3.091 -4.212 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 -8.572 5.382 0.285 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 -6.721 5.548 -5.594 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 -12.861 12.563 5.051 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 -4.405 1.760 1.347 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 2.317 4.496 -6.107 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 2.900 9.987 -16.629 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 -1.730 9.323 -4.179 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 12.495 17.990 -0.082 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 1.767 14.293 -5.688 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 2.881 -5.958 2.589 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 17.611 -13.144 2.412 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 5.978 1.241 16.611 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 -2.783 5.770 3.213 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 -6.162 14.561 -14.332 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 -1.011 3.024 19.516 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 -2.146 4.214 -0.407 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 -2.946 -10.243 11.406 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 -2.062 4.413 -0.918 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 5.048 -0.435 -3.505 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 -9.437 -21.802 -14.156 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 10.662 3.618 5.423 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 5.811 3.065 4.428 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 -15.883 -7.176 -12.279 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 -2.700 -18.942 4.709 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 -5.675 2.673 -5.176 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 0.386 14.786 -1.961 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 -9.085 -3.338 3.913 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 -4.743 4.486 -3.831 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 -4.300 -10.114 -1.364 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 -2.459 11.766 9.657 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 5.721 0.679 -6.609 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 24.010 -7.415 -6.673 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 -7.940 11.668 -1.445 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 0.212 1.789 -1.601 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 -12.535 0.867 -9.996 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 24.828 -5.189 -3.811 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 2.666 2.537 -1.558 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 -8.773 -17.267 16.365 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 15.632 -9.156 10.422 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 2.585 -2.170 0.094 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 2.028 -2.910 -3.897 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 1.407 5.853 -2.535 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 -7.251 -5.053 0.504 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 -14.126 -0.996 17.543 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 0.476 7.786 11.637 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 -4.692 -0.064 -1.389 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 -25.779 32.748 -30.330 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 -5.556 -2.214 -0.292 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 -3.797 3.897 -2.080 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 -3.967 -7.792 11.810 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 5.429 -4.590 8.580 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 -3.500 4.860 -4.283 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 -18.581 1.578 24.343 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 -12.954 26.138 -5.542 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 0.798 3.848 -2.214 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 17.502 -24.457 15.703 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 13.044 -14.300 9.233 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 -1.372 0.060 -2.605 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 -17.332 -2.272 14.138 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 13.931 7.464 -32.768 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 -1.607 2.083 -11.809 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 -7.299 -5.231 -8.625 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 13.525 -3.719 16.253 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 -3.323 0.442 -1.553 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 -16.785 -21.433 1.234 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 -1.894 -9.295 -11.397 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 -2.331 -4.402 2.922 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 -9.097 1.339 -10.119 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 2.928 5.363 -8.908 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 -2.288 0.877 3.213 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 -9.730 11.350 -3.046 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 -5.237 -0.911 12.242 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 0.777 1.763 6.264 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 3.192 2.313 7.416 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 5.192 -13.368 -8.924 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 -7.851 -2.539 -0.556 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 -1.987 7.164 -1.474 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 0.421 -9.764 10.450 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 -5.375 -0.619 -1.384 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 -1.187 5.746 19.729 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 14.328 -5.679 -11.118 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 4.768 -2.680 -2.125 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 5.678 -8.261 2.606 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 9.475 -8.453 9.770 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 2.288 0.418 2.160 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 -10.082 29.092 -0.735 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 9.791 -4.980 13.100 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 4.531 -5.361 6.811 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 3.329 -1.553 26.928 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 9.585 4.708 27.419 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 -4.034 -3.440 1.196 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 20.232 -7.751 -5.562 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 8.282 -4.653 -2.575 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 -1.711 -6.389 -3.215 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 -11.485 3.108 -5.677 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 -4.926 -7.165 -11.807 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 0.600 1.018 0.705 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 -2.580 -2.487 2.222 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 9.111 11.074 18.688 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 0.890 4.488 -0.409 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 1.547 -6.579 -3.224 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 -0.512 -1.721 -16.689 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 -3.700 8.243 -1.527 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 -17.664 1.133 16.364 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 -0.977 9.642 -26.746 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 3.551 1.999 0.237 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 0.338 4.023 -2.575 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 7.483 -0.853 3.362 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 1.499 6.988 1.301 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 35.115 4.731 7.635 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 -6.713 10.972 -1.508 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 2.541 -1.000 -2.737 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 0.130 -0.041 -6.322 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 23.924 -20.245 29.758 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 -0.592 -3.294 4.876 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 25.671 -2.310 3.617 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 -0.960 -11.538 -11.891 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 4.561 1.199 5.032 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 6.392 -0.469 12.958 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 5.117 1.493 0.051 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 -3.019 6.732 -4.390 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 -20.623 -11.602 7.913 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 -0.283 7.150 0.149 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 -4.963 2.679 0.679 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 13.405 28.320 18.371 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 -0.065 1.078 -4.765 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 -5.324 6.492 0.535 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 -13.003 -4.327 0.830 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 8.517 24.948 -2.515 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 -1.121 5.542 2.453 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 -3.485 8.009 14.037 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 -6.778 21.168 10.865 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 3.020 2.706 2.216 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 2.292 -2.479 -2.449 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 8.821 -2.287 17.701 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 7.251 -2.182 -2.515 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 -14.616 0.412 -21.374 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 6.885 -10.428 -2.285 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 -2.267 -2.614 2.762 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 -9.186 13.070 5.327 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 -0.944 -10.590 -11.516 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 -4.408 -2.431 -4.308 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 4.753 2.501 -11.814 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 15.338 -2.775 -7.720 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 -6.918 2.575 9.803 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 0.997 2.721 18.506 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 0.164 -6.839 11.412 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 -2.902 0.287 -3.910 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 -7.122 9.088 -10.176 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 9.789 14.820 0.084 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 1.405 -1.359 1.743 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 -7.126 14.872 -6.638 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 -11.895 10.659 12.698 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 2.121 1.075 -2.324 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 -7.239 -5.206 8.840 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 14.781 -3.033 -2.761 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 -1.434 -4.919 2.003 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 -5.280 9.176 -5.254 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 12.338 12.353 -4.750 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 -4.920 3.310 -4.213 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 -10.994 7.575 16.370 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 -8.230 -17.190 -19.748 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 2.964 -1.372 1.736 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 0.821 1.431 8.088 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 -3.182 16.597 3.319 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 -6.396 0.576 -2.056 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 3.414 -1.311 10.741 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 -12.195 0.933 -10.091 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 -3.994 -3.687 3.639 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 0.780 9.157 -6.199 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 -9.005 -10.713 -7.980 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 -7.413 3.065 -1.487 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 -17.922 5.852 16.952 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 -20.442 3.327 33.769 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 3.018 6.456 -0.174 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 5.125 3.615 -9.410 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 -1.051 16.813 10.611 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 1.150 0.344 -1.298 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 5.644 -3.094 -28.164 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 -3.592 18.805 -1.898 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 3.444 -0.932 -2.353 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 -18.887 -4.065 10.401 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 -16.960 -2.830 7.720 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 1.330 -3.204 5.040 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 -14.459 -17.545 -2.993 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 11.660 6.334 -6.727 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 -3.364 4.696 1.258 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 5.196 -2.552 14.019 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 6.954 3.456 -11.112 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -3.020 2.289 -4.666 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 -3.221 0.605 -7.829 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 -1.308 0.582 -7.131 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 -0.753 0.990 -2.803 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 0.304 2.170 -2.253 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 -18.128 -28.203 -16.529 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 0.184 3.598 3.361 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 5.882 -8.802 -0.471 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 11.307 4.062 -1.084 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 1.398 -1.390 4.711 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 5.151 0.942 0.669 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 -0.084 -5.630 8.214 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 0.167 3.182 0.005 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 9.092 25.248 -4.405 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 -2.232 10.342 -12.890 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 2.480 2.222 2.701 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 -6.480 -6.224 -0.602 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 1.892 -0.966 3.606 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 -4.834 0.214 -0.442 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 -2.467 6.271 8.955 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 0.878 3.349 -13.947 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 3.336 -1.405 -3.404 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 -25.028 7.306 -12.211 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 -2.302 -18.683 12.086 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 -1.665 5.513 2.529 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 7.881 0.258 -5.567 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 -5.509 5.022 1.679 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 -6.040 3.659 -0.251 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 13.536 -7.845 -11.913 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 -15.118 0.502 15.370 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 -0.905 -3.610 -3.915 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 -6.262 -5.005 16.348 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 -7.258 -6.344 -17.463 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 -2.327 1.189 -4.553 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 -8.407 -42.384 -17.182 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 -1.886 27.264 0.672 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 8.569 3.782 4.212 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 -3.865 -0.171 23.951 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 3.897 4.343 8.358 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 1.581 0.797 -1.250 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 3.789 3.023 -4.716 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 4.480 4.641 13.557 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 -7.832 -6.043 0.431 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 -19.606 3.719 -10.807 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 -13.727 -0.776 -5.212 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 -4.126 -1.205 4.764 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 -7.594 -9.237 2.906 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 28.244 -13.890 -12.125 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 5.105 -1.002 -1.921 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 -1.500 3.315 34.061 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -27.693 1.604 -18.052 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 -1.772 0.017 -0.410 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 19.876 23.399 -6.762 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 -11.631 -5.986 8.049 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 0.013 1.073 -0.677 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 12.395 -3.509 0.314 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 3.425 1.068 1.938 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 1.399 2.096 -1.803 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 -9.301 0.954 -8.426 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 10.856 6.672 6.162 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 -2.784 0.034 -4.639 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 5.576 -18.373 -1.571 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 -7.047 1.408 -23.084 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 1.852 -3.022 -2.949 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 10.847 15.715 -7.502 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 -5.978 -20.472 0.361 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 -0.270 2.067 0.582 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 7.036 6.278 -5.466 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 -0.813 3.121 -0.808 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 3.313 -5.080 -0.715 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 8.482 4.266 15.326 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 -9.610 -19.625 6.229 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 0.723 -0.792 2.495 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 -3.020 -23.150 -6.775 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 26.820 -19.177 5.174 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 1.660 1.560 -7.044 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 12.300 -26.292 -24.027 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 -1.956 14.968 -1.663 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 0.862 -3.581 -0.218 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 12.671 -12.140 -13.967 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 1.877 -8.806 -6.665 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 -0.858 -7.201 1.041 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 -6.509 -7.715 -1.297 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 3.152 -7.672 11.721 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 4.440 -5.974 5.520 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 -4.825 6.074 0.259 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 7.256 -4.245 -2.277 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 3.261 -1.444 3.130 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 -11.293 -17.281 -27.630 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 -13.840 21.980 6.783 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 4.427 6.918 5.109 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 2.460 6.944 4.279 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 -13.742 -13.283 18.378 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 -0.320 -3.805 -6.483 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 -17.790 -23.794 7.392 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 -0.741 -2.821 -11.005 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 -0.322 -2.190 -1.425 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 -7.267 15.119 -11.330 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 -3.022 -8.050 2.383 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 2.012 1.145 1.241 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 -8.483 -3.495 31.864 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 4.001 6.249 -13.240 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 2.944 -1.468 2.072 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 -1.947 10.872 6.057 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 8.820 -3.743 -15.805 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 1.990 -2.288 -5.045 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 28.716 -0.120 0.527 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 -1.711 5.021 -6.216 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 3.460 0.517 6.341 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 -2.719 -21.072 1.316 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 3.875 2.212 6.422 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 -2.155 6.431 0.096 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 -2.566 8.944 -16.776 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 -32.732 23.289 10.578 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 3.036 11.979 1.663 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 2.278 6.113 2.060 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 1.216 10.631 -6.101 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 -6.147 0.902 -7.888 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 -6.106 -6.123 -11.696 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 2.326 -2.397 -1.800 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 4.251 -7.339 0.415 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 6.637 16.923 -12.234 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 14.730 3.919 27.062 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 7.527 -0.651 2.964 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 6.305 -24.370 -4.702 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 7.626 18.023 10.117 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 -10.587 -0.841 1.820 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 -2.057 -12.158 -0.875 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 8.991 -1.138 -9.406 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 4.508 -0.244 1.881 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 1.819 5.925 0.689 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 3.252 -0.089 -5.094 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 -4.284 2.878 -4.331 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 6.112 5.569 0.631 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 -3.515 5.187 -16.460 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 2.521 1.222 -3.445 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 -3.479 -26.602 20.255 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 0.459 16.167 -23.332 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 1.496 3.267 -0.189 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 -5.333 34.589 2.014 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 8.092 13.772 22.838 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 3.767 -0.686 -3.396 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 8.002 0.251 3.219 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 -7.753 -3.595 -2.651 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 -1.896 7.115 -3.518 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 -14.031 1.288 1.168 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 -8.203 3.777 -2.135 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 -1.226 -3.735 1.116 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 3.633 -18.754 -2.595 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 4.213 -0.704 -0.032 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 4.046 -3.505 -1.462 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 4.159 -10.558 7.233 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 8.168 26.093 -10.558 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 5.498 -4.402 -0.981 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 2.578 -19.897 10.808 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 -0.961 -2.706 -7.780 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 -1.813 1.082 1.803 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 -3.153 0.772 2.774 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 -31.311 -8.849 0.445 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 -9.965 3.462 -6.293 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 -11.041 8.172 -5.394 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 -5.383 -11.417 0.983 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 1.780 -3.197 -0.785 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 -4.236 -2.393 -15.917 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 -0.924 5.674 3.573 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 3.842 3.992 -4.167 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 11.687 16.844 18.820 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 6.854 1.350 -4.260 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 -1.484 -0.033 1.426 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 0.699 -4.012 5.971 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 -5.189 1.310 -5.352 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 -2.725 -1.789 10.139 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 -11.646 -5.087 -4.110 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 -3.957 1.412 2.385 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 -1.529 4.637 1.464 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 -17.142 -0.732 -18.020 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 9.244 18.615 6.185 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 0.951 1.939 -4.067 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 4.804 6.217 2.702 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 -5.633 7.384 -6.778 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 -3.819 1.922 2.021 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 7.103 -1.948 -3.767 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 19.450 -9.169 -5.113 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 6.088 -1.384 -3.040 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 4.612 -8.366 3.088 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 11.305 -3.369 -10.953 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 0.792 -3.909 -1.169 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 -24.689 -11.543 14.295 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 -3.234 -20.238 10.937 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 -3.541 -0.727 -4.189 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 -7.228 2.129 -6.818 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 15.833 1.566 -0.671 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 3.974 -3.095 -2.867 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 -8.676 3.569 2.368 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 -15.881 -21.297 -10.514 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 1.757 -0.035 -2.598 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 7.299 -16.491 -0.513 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 3.934 -3.638 3.121 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 2.172 -6.941 1.768 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 7.169 15.289 15.940 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 4.406 2.877 7.919 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 -0.228 0.027 -1.345 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 -0.369 -2.588 6.699 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 4.720 -14.011 -18.000 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 -7.167 -3.948 4.548 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 4.742 -2.499 -2.638 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 1.774 -1.451 -8.776 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 1.893 5.507 5.098 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 17.165 5.227 4.388 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 0.400 12.899 -5.647 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 -10.749 -1.549 -5.241 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 -13.685 -8.525 -14.362 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 -6.738 -1.525 -5.754 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 -0.941 1.777 -8.179 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 -8.746 -16.424 -0.142 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 -2.869 -1.729 -19.427 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 1.613 -0.001 -6.088 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -17.794 -15.442 -5.584 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 -12.423 6.036 10.731 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 -0.759 0.611 -1.625 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 -1.559 13.928 -22.093 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 -23.440 6.578 10.340 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 2.495 -0.977 -1.301 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 -2.699 -12.778 5.143 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 -4.150 -0.026 -4.190 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 -1.368 3.393 -3.963 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 -18.323 27.670 4.170 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 -4.949 33.016 -4.467 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 -7.601 -0.420 3.392 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 16.903 11.942 6.561 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 -16.814 -14.500 -19.094 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 -6.567 -3.310 1.321 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 -3.432 -11.901 -2.058 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 21.755 -14.785 -5.497 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 -2.408 -1.967 -2.014 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 18.527 -29.661 -3.833 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 -19.666 19.452 -6.150 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 5.432 -1.098 -4.269 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 12.424 -1.570 3.762 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 -8.118 -6.866 -9.028 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 -4.375 3.843 -6.466 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 -7.398 -17.641 -10.483 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 -5.593 6.250 27.070 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 -2.136 1.941 -0.559 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 19.804 8.843 11.323 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 21.810 -16.074 -4.947 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 10.322 -5.060 2.202 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 4.228 0.141 12.986 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 5.013 -4.250 -4.564 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 4.422 -1.106 1.168 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 2.763 -0.488 -10.679 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 2.817 -0.399 1.692 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 -8.119 0.917 1.519 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 -8.696 -0.884 -7.336 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 -15.299 -2.964 3.624 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 -0.103 6.458 -6.916 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 13.446 -1.807 -14.363 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 4.057 13.880 1.383 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 3.008 0.271 1.472 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 2.646 -3.590 2.132 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 9.743 4.301 11.075 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 -1.089 -6.352 -1.477 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 -18.180 -5.663 -15.936 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 4.762 -13.065 6.793 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 -1.805 -1.783 -1.308 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 2.081 -6.303 -2.165 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 -3.395 -0.939 -8.615 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 -0.583 2.384 -1.306 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 19.285 11.319 10.154 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 10.841 1.920 -2.067 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 -0.830 3.399 -2.932 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 -14.023 6.719 17.398 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 7.833 -5.579 -17.932 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 0.997 -3.162 -2.212 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 -2.646 2.669 -9.762 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 2.430 17.845 8.849 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 6.338 1.373 2.112 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 12.896 -37.189 -5.237 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 -4.439 31.660 7.529 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 4.084 2.846 -0.607 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 -5.016 -18.374 11.589 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 -0.278 -27.809 0.702 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 -1.752 2.406 -0.014 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 1.898 11.963 -7.535 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 0.459 9.279 -6.014 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 -0.372 2.818 -1.004 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 -14.713 -31.396 -10.518 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 -7.156 -11.301 -6.167 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 -4.205 5.085 0.665 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 -11.696 11.614 2.301 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 -2.267 7.140 7.383 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 -0.590 -3.933 1.396 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 22.653 -3.731 8.419 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 -11.540 -4.101 23.511 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 -4.786 -0.924 2.940 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 -4.540 -4.438 1.226 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 12.102 20.543 2.968 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 -3.875 -0.217 -3.160 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 -21.061 -11.793 11.095 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 -3.827 -7.048 14.501 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 6.204 5.358 3.506 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 5.177 -11.141 12.668 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 9.789 12.807 -2.763 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 4.804 -4.760 -4.364 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 2.838 -9.487 -6.658 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 4.335 -2.859 6.141 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 -7.557 2.370 2.581 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 -2.363 5.260 10.538 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 -5.316 -7.438 0.056 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 1.194 5.932 1.116 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 7.255 -1.666 5.834 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 -11.041 16.304 -2.946 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 2.242 7.177 -1.619 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 7.945 12.905 -1.536 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 4.898 -0.714 0.122 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 0.700 2.258 -6.673 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 12.196 10.024 -11.861 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 6.555 -6.593 3.071 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 -2.137 -1.672 4.405 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 20.989 0.135 0.164 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 19.819 -5.803 3.972 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 6.531 -0.058 1.114 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 -24.663 -6.049 20.606 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 -22.468 -8.315 14.748 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 8.755 -4.795 7.394 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 35.547 5.670 -2.130 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 -6.048 -11.210 -17.656 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 -4.294 -0.654 -1.224 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 -0.263 5.841 -2.203 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 -11.285 -9.967 1.002 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 4.368 2.686 2.141 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 9.222 15.603 5.948 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 -5.867 0.091 12.467 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 -6.864 1.265 -0.342 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 -13.614 -3.984 -4.471 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 5.060 10.898 7.674 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 3.403 -1.187 1.106 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 14.285 31.392 -4.981 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 0.547 0.560 7.714 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 2.313 -1.792 -10.112 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 -9.835 3.376 -9.463 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 17.891 -10.899 -1.392 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 -3.000 -0.360 -2.235 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 16.910 12.818 9.788 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 13.392 1.152 22.713 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 1.565 -1.149 -0.531 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 2.074 11.758 -2.526 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 -10.974 32.170 -1.921 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 -1.119 -2.241 -0.182 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 2.942 -10.506 -5.582 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 -14.036 -3.306 -12.481 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 -2.901 6.032 -6.775 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 -3.633 -9.607 -6.684 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 -3.160 4.150 -10.509 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 -2.340 2.652 -3.370 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 -20.681 -11.146 -5.279 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 3.487 5.305 1.158 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 0.817 0.125 1.704 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 -2.659 16.790 -0.155 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 9.655 3.324 8.385 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 3.455 0.096 -2.551 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 0.853 -5.025 4.104 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 0.952 -3.491 -1.106 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 0.507 -2.369 -1.787 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 -19.173 7.136 -6.872 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 -3.842 -18.386 10.239 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 0.273 -2.462 -3.104 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 1.763 -4.717 0.762 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 4.810 2.039 -11.167 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 -3.756 -3.406 2.067 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 0.528 2.489 23.499 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 -2.096 -1.894 5.753 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 -4.376 3.413 -1.214 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 -6.561 -2.608 -3.936 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 24.133 8.569 -0.679 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 2.929 -0.352 -0.141 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 17.047 0.754 -9.351 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 -2.641 3.367 -4.158 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 -9.845 0.134 4.063 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 -0.131 4.571 5.130 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 -13.647 3.206 -6.894 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 2.074 -1.739 -5.656 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 -0.121 17.506 -9.313 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 -11.498 17.627 -1.541 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 4.158 -0.484 1.314 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 -16.818 -3.144 20.213 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 8.209 19.680 -9.871 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 6.481 -3.880 -3.338 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 -18.819 -20.737 25.244 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 -4.403 -12.560 20.336 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 -4.374 5.695 -8.902 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 -5.902 0.489 -7.200 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 -0.319 4.881 -7.828 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 9.043 4.874 -6.445 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 21.134 1.631 -14.808 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 13.155 1.724 24.760 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 -2.245 -0.997 6.501 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 -17.458 1.491 4.034 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 14.766 1.600 -9.706 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 -8.516 -4.232 -1.233 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 -4.479 -13.306 -14.726 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 8.841 -5.280 -9.516 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 -2.229 -3.512 -4.281 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 9.190 -7.648 8.634 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 -13.943 -13.474 -12.254 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 4.294 4.643 -3.353 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 13.584 0.356 -4.090 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 1.159 0.492 -4.891 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 -2.497 -4.030 -2.572 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -3.496 -16.240 6.138 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 -6.424 4.355 6.781 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 1.327 7.438 1.655 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 -0.073 -0.822 -11.947 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 -5.496 18.226 12.874 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 -1.665 -1.561 -2.111 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 31.360 16.053 7.746 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 1.811 -35.993 -16.509 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 1.177 -3.275 1.719 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 13.105 -0.860 10.891 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 -1.044 -12.933 -3.758 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 0.543 0.713 5.928 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 11.744 0.224 18.057 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 -10.013 -12.228 -13.178 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 -1.100 -1.353 3.483 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 -5.864 -1.442 -0.396 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 -6.878 2.666 -3.898 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 0.035 -0.793 4.251 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 3.285 -1.730 -11.182 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 4.461 -4.168 16.753 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 2.043 -3.740 0.480 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 -9.232 -14.822 -7.532 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 22.147 -5.840 -2.146 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 0.665 4.989 6.173 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 11.910 -1.107 6.332 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 26.769 -9.529 6.110 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 -1.366 0.749 -0.025 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 -20.104 -7.555 -4.903 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 27.585 3.107 -6.469 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 0.154 -1.186 5.297 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 -19.244 3.334 26.491 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 15.344 -10.712 14.427 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 4.369 -4.281 3.645 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 15.547 6.190 2.984 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 19.586 6.183 -6.265 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 2.179 1.578 -5.101 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 6.581 2.062 -4.565 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 16.776 3.498 -5.795 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 -1.896 -0.937 4.063 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 -8.325 -13.040 -4.106 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 9.576 -6.534 12.912 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 -0.157 1.290 -2.164 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 11.867 -10.552 4.328 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 22.256 -19.069 7.060 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 6.043 -0.058 2.766 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 -3.008 4.914 -0.501 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 5.541 12.247 -13.856 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 -2.930 -0.861 1.003 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 -9.225 12.117 -11.408 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 -5.586 28.154 24.928 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 0.417 2.909 -0.403 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 6.230 9.498 -11.708 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 -31.746 18.132 -23.225 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 6.086 1.800 7.999 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 0.414 24.046 18.633 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 0.959 17.982 -4.068 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 -3.814 -5.942 1.523 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 -22.869 4.532 -16.851 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 -14.281 -7.817 -1.171 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 -6.370 3.545 0.135 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 -14.818 -11.823 19.913 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 -5.324 1.212 0.225 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 -5.347 -0.459 -5.405 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 0.659 -6.227 11.045 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 -3.801 10.951 8.982 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 1.587 1.237 4.920 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 -23.564 3.098 26.821 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 -15.665 32.248 13.682 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 0.949 -4.838 8.768 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 8.558 22.182 4.143 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 -4.997 -14.624 -7.349 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 -7.801 -7.316 0.256 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 -10.998 4.647 -4.598 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 0.545 -32.469 21.405 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 -6.782 -2.852 -4.300 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 3.144 -6.605 -17.218 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 0.338 1.360 7.873 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 0.205 0.122 0.871 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 1.003 -2.862 1.599 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 -6.440 -23.727 13.921 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 3.072 -2.695 -6.538 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 -0.353 -4.633 -4.655 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 1.918 -2.723 -7.948 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 -7.427 0.657 -6.137 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 -10.077 -12.415 5.539 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 -9.630 -3.180 -5.246 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 -1.540 -1.609 -5.754 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 8.757 -6.911 6.830 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 -6.311 11.196 9.903 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 4.187 1.578 3.425 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 -0.342 14.721 11.062 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 -4.348 3.389 -6.580 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 -1.992 0.892 -3.737 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 13.323 -6.060 2.368 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 5.193 -6.512 10.368 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 -10.758 -0.154 -1.795 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 -6.370 -9.360 -4.742 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 -2.713 -12.192 -7.045 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 4.609 -5.318 -1.300 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 8.956 -3.178 -5.759 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 7.266 -10.904 9.320 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 2.830 -2.290 -1.827 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 10.403 -6.486 -8.678 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 2.702 -1.767 -1.061 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 0.712 -5.282 0.145 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 -10.415 -0.865 -5.382 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 14.051 -9.096 8.428 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 -9.687 6.501 1.788 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 -11.996 4.169 10.466 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 20.998 -17.797 19.684 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 -0.877 4.782 -2.911 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 -7.529 4.917 -9.104 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 1.000 -1.869 2.676 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 0.088 -1.920 -1.226 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 -11.326 -24.427 8.766 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 -1.969 5.690 -2.165 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 -5.725 -0.956 2.112 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 -4.491 -9.429 14.282 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 -13.985 4.266 -0.233 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 -2.882 6.478 7.255 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 4.725 1.387 -13.661 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 -12.112 -0.953 -6.678 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 2.357 -1.492 7.038 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 -0.463 -9.220 -15.031 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 -19.555 -15.398 16.027 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 0.461 -3.177 -4.887 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 -1.908 -3.322 -8.454 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 7.434 -4.246 -0.457 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 -1.530 2.434 6.227 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 36.422 -6.508 3.522 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 -10.149 4.059 0.240 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 -2.219 3.126 -5.262 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 -7.874 -10.751 10.989 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 -3.570 3.732 2.190 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 -6.278 -6.001 4.814 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 -6.438 -5.988 5.352 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 -3.625 0.057 7.723 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 -0.218 3.388 4.745 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 0.485 1.500 0.869 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 -0.820 -7.129 -15.997 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 -0.474 0.624 -2.201 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 -1.902 7.214 6.263 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 4.436 -7.952 13.811 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 0.929 3.623 0.920 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 -3.415 21.608 -7.010 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 1.923 -9.907 -2.447 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 -6.294 -1.002 3.842 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 14.151 -14.605 1.597 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 -11.117 -11.007 18.299 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 -2.381 6.395 -1.610 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 2.600 2.130 11.268 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 -2.333 -1.115 -9.575 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 -2.702 -0.686 6.185 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 -6.408 10.834 -10.682 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 17.292 -9.755 10.815 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 5.837 -1.086 -1.233 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 -22.393 -25.308 10.990 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 -5.744 -12.804 -2.344 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 -6.832 -1.521 1.041 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 -25.438 -5.458 1.201 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 4.774 -4.460 -1.190 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 0.866 -2.481 3.329 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 -1.290 -7.509 12.843 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 -2.428 -8.218 -3.277 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 -5.347 -3.902 -0.041 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 4.552 5.594 23.298 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 8.438 -10.136 11.564 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 2.303 1.743 -2.837 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 3.056 3.595 -6.330 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 -8.718 3.843 -22.515 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 -3.324 -0.219 -5.272 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 18.635 -6.769 30.269 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 -12.263 9.998 0.789 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 -3.023 8.247 5.431 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 2.926 -6.116 0.337 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 -18.706 -0.486 11.796 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 -3.516 -7.074 0.617 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 -0.398 -7.984 -3.344 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 14.199 0.033 -13.246 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 2.313 4.997 1.849 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 23.051 -12.527 15.708 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 -30.640 1.907 -6.768 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 2.286 -0.230 -0.610 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 6.903 -30.056 9.567 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 -5.297 31.071 -21.178 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 -3.354 1.504 4.924 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 -9.175 -18.564 -21.494 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 5.147 5.296 -9.923 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 -2.377 -4.196 5.526 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 25.275 -5.815 -20.984 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 4.177 -18.994 -1.050 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 8.703 0.018 1.201 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 10.682 -6.539 -3.001 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 17.649 -1.542 -1.835 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 -6.415 -3.186 1.151 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 -23.192 -7.358 19.335 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 -5.487 -13.835 -1.334 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 2.887 10.373 1.831 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 12.230 -4.398 1.431 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 14.828 -3.254 -4.710 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 -1.013 -1.055 -4.932 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 2.566 -2.406 -3.899 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 7.052 -9.594 -1.975 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 -5.283 -2.682 3.646 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 28.727 -6.801 7.229 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 -10.876 4.709 -29.610 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 6.486 2.174 0.318 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 11.150 -5.680 6.541 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 5.166 -6.800 -1.555 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 -2.788 -2.652 -0.883 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 -3.481 18.666 -15.839 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 -11.314 -1.734 14.543 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 -0.466 2.405 0.571 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 -11.361 -8.452 -6.418 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 -3.813 11.934 3.674 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 3.293 4.031 1.813 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 10.084 4.293 4.147 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 -7.294 -4.421 19.153 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 2.175 -3.603 1.963 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 -3.278 -5.133 -3.067 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 11.436 -1.705 5.544 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 0.623 9.519 -1.808 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 -5.939 15.642 -9.187 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 3.966 21.445 11.519 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 11.585 -4.426 2.256 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 8.516 11.897 14.089 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 -4.527 -29.474 6.652 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 3.428 0.999 -9.742 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 -16.898 -2.808 -20.521 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 19.324 -2.689 2.530 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 -0.155 2.579 -5.383 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 -0.005 3.775 -1.974 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 -2.066 -1.783 -5.432 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 -0.529 3.040 0.171 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 3.741 -22.283 -3.791 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 -9.867 16.547 -6.577 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 2.246 -8.527 1.315 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 -7.562 19.911 9.529 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 -16.221 -22.909 0.644 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 0.013 3.897 8.597 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 -18.822 8.064 17.983 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 6.496 19.530 -12.545 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 -0.409 2.741 2.933 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 -5.365 7.651 -3.849 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 -0.786 3.498 2.028 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 8.995 2.446 5.071 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 -1.836 7.923 -4.589 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 -4.134 9.899 15.168 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 4.337 6.938 1.815 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 12.988 4.416 -1.899 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 0.467 -8.019 15.797 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 3.025 -4.917 6.586 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 27.477 8.219 13.570 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 4.826 17.479 -3.393 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 7.763 2.342 -0.362 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 11.750 -27.659 22.044 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 13.222 7.804 -16.198 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 -0.402 -0.173 -2.672 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 11.865 -17.137 -11.423 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 -13.078 10.745 26.610 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 3.897 0.613 -3.701 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 -7.696 6.243 -12.587 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 -0.942 -12.175 10.357 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 4.618 -3.155 -0.528 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 -1.667 -7.049 -4.125 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 23.746 -6.113 12.681 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 -1.066 -1.953 0.442 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 0.717 11.703 20.995 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 -20.574 -17.006 4.396 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 1.493 -1.313 -3.969 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 2.356 -12.824 5.228 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 -2.193 16.761 -0.797 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 -3.078 -3.464 1.785 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 -12.286 4.084 9.724 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 -8.981 1.867 7.025 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 2.670 2.333 -6.400 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 1.804 9.200 8.981 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 5.453 9.591 7.785 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 -3.175 -0.877 0.988 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 1.045 -1.607 3.411 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 0.390 -0.604 5.434 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 -1.464 0.412 -1.056 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 4.064 4.164 -15.334 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 34.455 7.140 -37.468 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 -4.814 -11.660 -1.721 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 -11.208 -43.301 -0.600 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 6.489 -16.270 -19.530 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 -5.579 -1.352 -1.527 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 -9.237 -3.987 -3.784 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 12.862 7.334 -0.025 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 1.021 3.703 3.469 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 -8.156 5.297 9.770 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 5.190 16.103 4.379 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 -0.304 3.170 0.984 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 -6.361 -14.238 8.451 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 -9.464 15.740 1.457 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 7.276 0.195 7.670 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 1.178 11.675 26.508 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 -10.750 -7.594 28.010 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 -7.658 -2.499 0.651 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 15.845 4.521 -20.369 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 14.194 8.490 -1.150 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 -3.798 -5.203 1.292 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 0.326 -8.947 12.303 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 -0.914 -1.889 -0.495 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 -0.578 -6.402 2.355 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 6.855 -0.971 0.528 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 -0.956 -22.455 -17.753 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 -2.546 1.023 -2.094 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 29.144 0.253 19.759 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 14.933 -9.167 -7.400 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 3.021 4.794 7.690 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 8.273 10.139 10.336 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 -31.165 11.702 -7.367 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 0.719 -1.289 3.705 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 35.803 20.388 11.479 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 5.454 7.067 7.888 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 1.033 -4.577 3.684 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 25.415 11.414 0.090 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 24.161 11.428 1.607 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 -3.808 3.122 4.873 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 -5.735 -8.334 10.997 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 -4.790 -37.743 4.208 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 -4.909 2.197 6.575 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 -8.717 4.609 -13.023 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 12.554 -4.639 7.534 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 3.638 -4.618 2.428 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 5.438 -5.648 3.296 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 0.970 -6.990 2.781 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 -4.166 -4.955 -5.190 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 -18.788 -1.467 -6.582 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 20.063 -11.128 -5.087 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 -2.119 -1.608 -2.353 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 -2.347 2.430 -1.684 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 12.318 8.217 -8.778 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 -1.734 1.307 7.932 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 -2.912 -23.332 2.886 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 19.736 3.307 2.423 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 -7.664 -2.645 -3.955 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 2.164 2.716 21.703 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 15.147 17.125 31.766 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 -3.257 1.691 -8.054 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 -4.597 4.204 6.786 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 -8.684 -12.274 -13.263 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 0.601 -1.841 0.115 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 -1.341 20.201 -1.991 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 -11.827 -7.856 -7.869 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 0.834 2.367 -1.260 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 13.384 -24.299 19.047 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 -2.879 -7.341 -1.764 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -3.404 3.742 3.937 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 3.096 3.053 4.933 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 -6.461 0.702 6.677 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 5.133 -1.074 -3.882 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 8.434 -1.132 -2.495 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 3.213 -0.908 -1.923 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 6.656 -1.727 -0.701 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 4.694 -0.482 9.701 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 4.891 -2.289 9.194 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 -2.512 5.451 -6.163 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 10.923 15.188 -6.904 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -3.365 4.284 -4.535 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 8.428 3.748 3.413 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 -19.310 -6.327 -0.699 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 16.550 5.104 3.127 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 1.343 4.692 0.040 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 -4.172 -5.847 -11.446 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 -0.519 5.663 -1.173 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 -3.361 0.191 -6.038 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 1.850 13.891 -0.076 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 -4.560 -2.090 -6.088 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 4.293 2.598 -1.276 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 3.743 -18.192 -11.479 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 8.921 -0.769 18.653 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 -3.807 -0.166 4.183 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 -0.907 33.397 3.404 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 7.535 -0.646 9.646 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 1.327 4.573 -2.183 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 0.792 5.189 2.841 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 -1.400 5.711 -3.981 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 -4.215 -0.802 -0.409 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 -11.747 3.615 3.292 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -0.829 6.549 -1.833 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 -0.550 -4.881 4.922 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 -16.906 -4.758 10.681 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 11.984 -19.486 -8.204 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 0.705 1.678 -0.643 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 -2.852 2.452 4.661 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 3.839 0.539 9.930 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 -6.736 -6.011 -2.755 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 -13.494 -0.601 -2.784 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 4.065 -10.914 -4.048 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 0.570 -1.042 6.588 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 8.665 -18.444 -1.349 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 -26.034 -0.822 1.809 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 -8.571 0.292 1.330 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -2.090 -16.276 -0.741 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 -5.893 -16.333 6.600 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 -0.473 5.303 -2.074 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 2.761 -9.672 3.199 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 0.311 -0.629 -0.063 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 0.295 -4.636 1.169 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 -13.488 15.731 -13.138 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 1.490 -5.658 -1.060 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 5.066 3.805 -0.529 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 6.460 2.610 -2.441 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 6.871 2.519 -2.069 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 1.352 6.018 -2.048 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 0.324 0.762 -0.922 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 -0.305 5.629 -3.362 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 -6.605 -2.257 1.570 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 7.791 -8.713 6.616 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 -9.014 -21.223 0.412 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 -7.575 -2.296 -4.335 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 29.820 20.328 7.974 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 -7.460 -2.292 6.956 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 3.315 -5.198 8.030 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 -26.377 -0.339 8.191 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 8.428 -7.653 7.382 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 -4.572 3.323 0.469 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 -5.021 6.100 -4.940 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 1.854 -0.539 1.582 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 2.116 4.271 3.307 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 0.372 4.629 11.650 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 -3.711 -3.076 -31.282 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 -1.374 0.328 3.373 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 -0.147 -21.710 11.578 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 25.231 24.094 0.022 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 -2.497 1.063 4.121 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 15.209 20.544 15.033 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 -19.529 -14.399 -7.799 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 0.260 -5.901 5.844 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 2.166 5.667 7.848 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 11.675 -15.967 -3.267 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 1.377 -2.206 0.648 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 3.734 -8.904 -0.953 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 20.539 3.647 4.173 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 -3.253 -0.092 -0.231 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 -15.070 -14.468 -11.357 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 -17.648 12.751 9.854 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 0.098 3.318 0.491 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 1.552 0.862 -26.817 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 16.680 21.645 8.342 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 0.312 1.183 -4.707 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 3.288 -3.362 -6.323 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 -7.227 -0.200 -10.000 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 0.543 2.748 -5.583 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 10.235 1.812 20.661 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 6.951 2.100 2.619 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 -1.797 9.321 1.572 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 6.907 24.002 9.800 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 -18.769 11.845 2.868 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 0.883 5.360 1.154 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 8.072 -0.646 -9.517 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 10.839 12.896 5.319 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 3.608 -6.637 2.864 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 5.816 6.019 -6.915 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 -19.649 11.283 12.931 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 -2.116 -1.154 2.389 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 -1.314 -10.019 -9.971 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 3.435 -9.846 -2.778 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 1.216 -3.768 -2.938 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 3.731 14.017 0.337 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 30.696 -0.186 -0.817 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 -3.024 -4.926 -3.040 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 -0.674 -6.289 -9.834 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 -19.888 1.874 5.580 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 -3.416 -0.647 0.006 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 14.810 -4.982 3.568 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 5.927 3.950 6.968 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 -8.156 1.730 5.686 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 -2.930 -4.794 14.959 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 -23.624 12.985 22.204 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 2.352 -0.542 6.699 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 -4.073 -23.739 -9.645 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 10.050 -8.540 -0.180 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 0.244 -1.634 -0.558 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 7.080 -14.188 5.939 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 -13.495 -0.863 -8.692 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 -0.102 1.453 -3.376 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 8.375 -13.109 -1.210 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 13.226 -17.659 10.378 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 -1.590 -6.535 -0.377 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 10.719 2.611 -14.541 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 -26.325 18.527 4.056 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 3.464 -1.572 -0.376 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 -9.240 -14.505 -4.779 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 -13.036 -9.064 -5.564 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 -2.505 3.389 3.785 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -3.011 -1.318 12.816 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 8.724 4.152 3.540 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 2.378 -1.678 -7.068 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 11.151 -13.517 8.347 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 -5.166 8.421 -19.351 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 6.221 0.104 0.352 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 -15.784 -17.027 -9.332 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 -1.806 -4.336 14.814 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 -5.297 4.002 3.153 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 -7.366 5.696 -2.578 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 5.207 4.173 7.553 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 -2.786 1.106 6.329 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 -21.306 22.939 -12.768 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 -2.914 13.125 -11.413 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 3.047 -3.567 -7.867 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 7.593 15.621 -0.919 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 -0.668 -5.119 -27.797 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 3.964 -4.338 -1.854 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 5.952 5.044 -6.005 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 4.074 8.071 -4.517 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 -1.575 0.451 3.032 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 35.755 4.750 -0.967 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 -32.845 -12.575 3.587 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 -0.158 -4.421 -7.950 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 1.630 -6.498 -10.056 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 -1.195 -1.628 -10.328 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 -10.023 -0.821 1.268 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 22.831 7.299 4.261 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -19.257 7.830 31.568 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 0.460 2.647 -2.545 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 -10.876 -0.241 -7.977 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 8.086 -5.528 -9.459 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 2.206 -4.118 4.740 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 -21.590 3.402 12.074 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 -10.988 -9.466 -18.926 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 2.825 3.522 -1.464 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 -49.463 2.846 14.078 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 8.845 -22.914 -9.450 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 -2.492 7.607 0.292 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 16.352 1.881 -11.880 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 13.030 1.465 21.100 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 -2.331 -2.092 -5.478 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 -12.410 22.180 -10.309 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 -3.794 -7.855 36.556 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 -0.645 -3.018 -2.487 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 -0.246 -0.484 -3.972 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 2.457 -5.150 -2.883 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 -2.285 -1.839 -8.111 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 18.316 -10.333 -20.178 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 10.139 19.232 17.788 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 4.629 -2.521 2.747 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 -1.615 2.104 -14.287 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 -6.815 -8.283 12.054 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 5.960 -1.743 -2.799 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 -9.993 -9.258 -8.493 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 -0.675 17.498 4.853 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 4.247 -5.900 -3.674 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 19.549 -8.692 -7.962 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 7.783 -8.426 19.036 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 4.579 -4.754 -7.118 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 -5.130 -5.889 5.136 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 0.529 -25.884 13.988 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 -1.658 1.314 -4.380 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 -1.681 -15.911 0.688 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 -4.779 5.936 -7.495 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 1.407 -2.790 -0.339 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 -1.466 -3.273 -2.818 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 0.291 -14.072 4.398 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 3.354 0.302 1.216 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 4.212 3.062 -3.471 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 12.862 -5.748 4.331 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 -2.602 -6.779 -1.548 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 20.138 -11.666 -7.095 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 5.474 7.908 -13.545 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 2.641 2.364 -1.444 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 2.279 4.302 -5.222 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 0.025 3.871 -2.569 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 0.676 3.165 8.009 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 5.909 10.771 3.639 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 -1.183 0.242 17.878 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 7.655 -6.097 -4.666 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 6.403 -5.169 0.054 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 2.772 2.585 4.532 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 0.975 -0.254 4.222 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 21.264 4.960 32.673 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 1.647 -1.901 -10.420 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 1.693 0.851 -0.874 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 -8.297 -13.513 1.733 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 5.356 -9.147 -9.481 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 -6.004 1.020 -0.972 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 -30.173 -12.611 -5.763 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 -10.329 -0.107 2.847 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 -1.656 2.202 -8.965 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 -8.631 18.307 -2.183 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 18.757 -0.688 4.315 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 1.099 6.449 -0.166 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 19.772 9.435 -15.671 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 14.704 17.741 12.663 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 9.990 -0.161 2.522 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 12.214 3.124 -5.806 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 4.375 0.151 1.918 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 3.170 -0.173 3.111 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 8.864 -2.995 13.225 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 15.753 -23.712 -8.865 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 2.497 -2.505 -1.645 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 -3.266 -14.543 -43.555 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 -0.461 -5.977 -13.201 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 1.153 -6.667 9.645 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 -21.082 -5.381 16.483 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -14.429 -34.077 12.507 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 -4.908 0.792 5.237 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 0.147 -22.332 -4.392 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 3.154 0.327 -3.424 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 4.433 -5.979 8.181 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 -10.611 21.061 23.389 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 -4.921 1.536 7.039 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 8.072 1.170 -1.616 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 6.946 3.478 -3.084 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 -5.626 16.185 6.087 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 -5.531 1.196 -4.805 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 -7.261 0.692 -2.489 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 -6.806 2.803 -6.980 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 -1.792 -4.917 -1.522 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 2.505 8.651 -8.771 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 -5.657 -9.395 2.990 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 0.497 -2.725 -4.992 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 -2.938 17.569 -1.701 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 7.804 11.777 -11.566 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 0.542 7.757 6.767 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 -7.686 -6.911 -4.203 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 11.250 14.446 -18.644 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 2.870 2.680 4.790 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 -1.419 8.063 1.408 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 -0.878 3.123 -2.587 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 -2.163 -6.475 4.704 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 8.159 5.158 11.280 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 -5.810 -16.274 4.556 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 0.008 -2.108 3.793 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 -15.477 -1.945 21.270 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 8.069 -4.041 -10.305 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 4.319 -6.719 5.595 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 18.418 -3.914 3.940 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 -0.596 -4.865 -7.555 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 0.064 -1.076 -0.593 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 -11.100 -12.253 0.113 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 -11.172 4.530 -1.569 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 -0.078 -4.449 -2.034 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 0.307 29.432 14.897 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 -8.730 -8.960 13.236 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 0.486 6.316 -2.669 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 -2.619 -0.054 -14.121 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 12.593 6.034 0.943 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 -3.158 -1.315 -3.123 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 -9.805 8.738 15.460 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 -8.896 -12.921 6.558 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 -5.371 3.942 -0.224 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 -6.699 -24.964 9.309 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 -17.585 -9.813 1.701 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 -6.118 -1.824 2.705 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 11.193 4.192 -5.629 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 8.283 4.520 10.038 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 -1.328 4.869 2.373 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 0.557 -9.365 0.298 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 -2.891 27.310 6.274 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 0.532 3.360 -5.389 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 1.805 4.592 -14.432 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 7.181 -12.294 -6.900 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 -1.078 -0.542 2.838 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 9.153 12.561 5.711 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 10.658 13.519 -6.185 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 -6.811 -1.915 0.041 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 6.476 3.339 -13.926 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 -8.687 -27.024 1.605 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 0.554 -2.164 2.781 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 25.573 -22.283 -18.677 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 -6.743 -2.167 7.123 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 4.708 5.127 1.855 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 -6.875 9.097 -5.764 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 5.058 -8.535 -0.249 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 -2.334 -4.345 -1.716 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 -13.421 -0.865 19.433 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 0.759 -16.655 5.593 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 -7.742 -0.778 -3.170 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 -7.060 -22.668 10.526 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 -6.343 4.272 -6.109 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 1.369 3.795 -3.174 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 -5.321 22.278 3.387 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 14.257 -4.908 8.708 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 1.154 -1.469 -4.548 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 5.374 -14.996 -3.234 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 3.092 -3.310 -4.373 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 1.125 -1.958 2.676 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 -19.753 -11.712 -5.471 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 -16.285 -11.719 -2.332 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 -3.097 3.771 9.447 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 -2.795 11.148 14.498 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 -3.914 -6.483 2.119 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 -6.300 7.329 -2.878 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 -9.225 12.744 -6.293 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 13.838 15.075 -7.458 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 1.106 -0.264 -7.043 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 -4.173 -9.511 9.027 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 15.266 -2.959 -11.390 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 -5.849 -6.682 0.130 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 -15.190 -1.215 -6.525 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 0.963 -0.199 -2.246 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 -0.053 0.229 3.329 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 0.271 -4.697 0.462 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 -12.246 4.421 7.670 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 3.097 -3.271 -0.035 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 11.769 11.715 0.173 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 -5.408 -15.115 -19.023 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 0.029 7.556 -6.667 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 -8.195 5.727 -16.090 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 7.921 -2.187 -8.711 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 0.390 0.607 -1.079 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 2.813 13.824 5.535 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 -15.390 8.599 -5.371 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 -3.852 -3.657 0.861 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 -9.460 -15.925 8.894 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 9.174 -0.298 14.242 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 7.435 0.168 -2.905 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 6.665 10.719 -4.517 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 3.188 2.626 7.456 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 -3.341 0.971 0.526 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 -10.362 2.651 -3.084 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 -4.322 -7.496 -4.743 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 1.558 -0.376 5.712 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 -11.298 -4.381 9.050 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 2.596 -9.559 -29.534 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 0.279 1.273 5.979 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 6.674 3.681 8.472 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 0.291 -0.851 -0.123 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 -1.411 0.319 -1.649 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 1.075 6.549 -4.513 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 -13.465 -3.916 -1.851 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 7.034 -1.715 -1.234 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 13.754 -11.178 28.436 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 1.659 -8.062 -21.470 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 -4.907 -2.552 0.432 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 0.474 -8.659 -0.499 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 -16.543 24.277 8.451 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 -3.949 2.619 -5.662 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 -0.904 2.612 -12.264 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 5.682 -4.328 -22.135 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 7.760 13.815 -2.974 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 21.279 -0.985 -3.496 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 15.216 25.151 -2.352 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 -10.941 0.892 0.900 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 -0.199 -6.857 -3.216 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 10.190 -15.007 0.213 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 2.598 -1.344 1.335 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 13.823 2.357 5.652 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 -9.110 7.785 -21.863 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 -5.445 -7.583 1.693 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 -10.077 -1.760 -4.525 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 -8.724 -16.058 1.869 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 7.372 -1.966 -2.441 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 -3.392 -4.104 -6.893 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 -12.943 -7.753 -7.544 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 -2.376 6.111 2.719 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 -3.407 10.950 3.356 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 4.166 -22.240 -2.587 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 3.075 -0.154 -4.162 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 0.630 0.833 -6.448 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 15.316 10.678 1.462 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 -7.375 -3.980 -0.257 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 -6.881 -13.623 -5.825 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 -1.176 18.311 -2.775 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 -3.254 -3.021 -3.996 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 36.120 -10.592 -9.691 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 -27.336 -1.050 10.820 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 -0.527 6.826 3.552 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 16.248 -35.119 -18.212 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 19.732 -15.551 3.368 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 4.424 7.292 1.318 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 2.621 0.928 2.593 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 6.868 9.386 -0.729 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 0.721 -1.234 0.088 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 16.075 -3.418 -17.619 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 -5.822 19.855 1.266 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 2.450 -6.650 1.167 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 -0.919 -6.920 -19.129 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 12.470 14.200 3.792 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 -4.829 5.966 9.412 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 0.418 8.006 -10.835 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 10.601 16.560 -30.929 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 -0.579 0.904 7.322 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 0.519 -0.833 2.491 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 11.960 4.374 15.728 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 0.306 3.179 2.960 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 -4.855 19.533 2.925 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 2.544 8.527 -12.441 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 -3.393 -0.354 -4.261 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 8.508 -2.124 2.078 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 16.114 -32.159 -0.594 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 -0.375 -4.857 0.354 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 10.168 -11.114 -1.807 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 -0.316 -3.370 -5.859 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 -0.670 1.379 -0.042 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 -12.998 20.814 -2.036 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 5.794 0.956 -20.039 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 -6.658 4.513 -0.031 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 -26.496 1.962 -26.571 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 0.500 8.691 20.119 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 0.563 3.175 -1.485 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 15.089 -32.556 1.483 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 -9.456 -0.703 18.429 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 -3.858 12.929 -1.713 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 2.578 0.044 -0.765 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 -0.094 -1.043 2.248 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 6.840 -3.453 -4.768 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 1.992 -0.783 -8.238 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 -26.134 -12.279 8.213 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 0.304 -0.453 -2.803 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 -12.647 -1.554 -5.966 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 1.287 -7.980 8.364 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 0.299 -1.018 -3.028 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 -9.757 10.446 -15.840 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 4.929 12.692 -1.187 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 2.413 -0.653 -1.505 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 10.881 21.690 15.665 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 7.845 -5.390 -1.214 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 -3.152 -2.524 -5.272 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 -1.959 -18.870 -21.864 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 16.843 -11.767 -0.965 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 4.849 -0.653 -0.348 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 -8.837 8.063 5.204 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 4.287 -14.319 -19.108 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 -1.463 -2.784 -3.304 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 -15.178 -7.878 6.600 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 13.512 6.297 -27.121 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 -2.207 0.120 -5.008 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 13.005 -8.072 -16.112 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -30.994 1.248 -14.588 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 0.889 2.835 0.832 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 -1.223 33.490 -32.356 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 0.885 2.511 1.597 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 3.129 -0.262 -7.310 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 18.974 -6.533 7.153 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 -9.895 -9.783 -0.778 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 -2.738 -2.279 1.680 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 0.719 -8.269 8.846 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 0.265 -0.846 -6.599 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 -3.393 -0.888 -4.819 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 -13.665 11.865 -5.456 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 8.064 -2.891 0.233 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 0.999 -1.365 -2.015 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 20.051 -7.743 2.374 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 2.174 1.888 -23.595 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 10.552 -0.438 -2.068 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 3.860 -3.646 -16.788 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 7.752 -10.704 7.675 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 2.044 0.758 1.762 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 1.851 1.807 15.641 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 -2.004 14.852 -5.637 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 -2.801 7.849 2.761 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 -11.651 12.627 4.841 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 33.097 -5.223 16.950 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 -2.732 1.170 8.007 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 -2.725 1.154 6.867 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 -3.549 -2.598 4.098 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 2.213 -3.427 -4.055 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 5.922 -18.182 -7.240 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 1.809 7.364 -4.481 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 4.777 0.110 7.286 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 -42.371 9.195 5.139 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 -4.817 17.697 -9.950 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 4.659 10.755 2.438 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 2.533 3.047 -7.462 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 4.046 9.883 3.724 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 -3.190 -0.780 -1.397 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 10.530 5.723 -18.234 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 -8.059 -3.750 4.622 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 0.731 2.230 3.184 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 6.983 -9.053 24.889 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 -2.745 3.296 8.338 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 -0.707 -1.556 -7.271 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 7.086 9.408 -8.975 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 -14.049 -20.769 -6.223 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 9.315 0.757 -2.920 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 -0.644 22.959 27.346 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 11.057 10.727 5.366 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 -8.250 -0.601 -0.786 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 -9.152 -7.204 14.899 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 13.741 -6.661 2.751 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 7.201 -1.398 -3.204 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 2.037 -11.180 3.733 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 9.951 10.458 -5.921 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 2.875 -4.786 0.788 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 11.019 -2.002 10.659 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 -2.887 -5.115 -9.128 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 4.167 4.942 1.985 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 6.535 22.124 23.549 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 -7.458 -11.521 -7.171 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 2.054 4.373 -7.121 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 12.409 10.405 -10.102 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 -2.969 14.583 -0.252 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 -0.147 1.832 1.087 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 4.014 10.573 0.094 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 -3.039 -5.117 2.526 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 0.801 1.040 0.650 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 -22.274 -0.399 1.287 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 -0.405 12.585 -12.163 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 0.113 5.699 -4.467 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 38.444 -12.963 -0.174 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 11.724 -30.629 -5.346 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 -1.081 -3.872 -0.669 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 7.002 -6.100 -3.337 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 -1.670 -12.095 -8.028 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 6.927 -4.808 3.963 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 -19.636 11.697 -3.377 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 27.421 -3.937 4.135 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 0.120 -0.114 1.208 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 6.245 9.265 18.131 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 -6.536 -20.717 -10.221 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 -0.145 1.657 -1.757 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 3.906 1.128 4.966 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 3.849 12.321 -3.503 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 3.969 -2.017 -1.962 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 -19.692 4.018 -8.857 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 16.538 2.070 -14.783 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 -5.003 5.378 -2.258 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 -6.568 7.779 -8.864 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 -14.706 -26.841 23.618 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 -1.179 -2.494 2.760 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 -6.712 -7.267 -7.782 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 12.231 -5.174 -4.166 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 -4.012 -2.926 -2.299 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 -6.756 -11.837 -17.053 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 -11.892 8.842 5.189 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 2.373 -1.697 -4.415 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 6.900 9.371 -6.502 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 0.439 -7.181 -7.253 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 4.561 3.817 0.739 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 -6.859 2.299 -14.959 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 3.872 -4.651 9.006 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 0.161 0.948 1.579 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 -17.936 6.506 -12.832 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 -5.191 4.688 -8.223 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 1.712 6.112 -3.915 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 4.945 -11.103 -15.657 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 10.465 -4.618 13.167 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 -2.330 -5.920 -3.721 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 13.444 0.538 -0.714 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 -18.585 -3.924 12.441 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 1.730 -2.856 -0.977 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 -1.636 -6.298 -21.161 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 -18.081 -0.821 12.852 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 1.603 -1.885 -0.778 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 14.096 8.091 -2.087 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 -6.806 -8.884 0.301 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 2.245 0.073 3.915 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 -3.461 -16.580 14.838 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 -29.141 -5.661 -4.976 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 -5.425 -0.878 -0.360 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 -5.206 2.284 -2.282 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 6.127 -0.974 6.087 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 3.279 -0.296 -1.336 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 20.034 17.374 10.245 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 18.135 -12.395 -21.935 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 0.810 0.093 -3.618 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 4.365 -10.550 26.396 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 21.108 11.714 -10.792 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 4.098 -9.087 7.754 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 -11.532 -14.171 10.022 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 -15.431 -1.354 11.088 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 -5.922 4.966 0.272 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 4.706 -9.669 -19.866 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 7.768 -7.851 -7.556 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 -1.333 6.919 1.168 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 -12.874 6.102 -1.312 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 -1.027 17.544 -16.481 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 -1.275 -0.013 -7.414 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 1.838 7.771 -11.302 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 -7.197 5.087 -11.554 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 -1.690 -2.532 -7.471 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 -18.675 -10.996 -16.408 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 27.757 -3.050 4.341 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 -0.211 7.923 -2.609 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -3.029 3.170 3.532 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 -6.333 -24.910 5.298 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 4.348 -2.586 -2.342 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 7.006 -36.893 -4.173 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 11.318 6.175 2.717 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 0.046 -2.670 -2.179 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 24.356 -20.977 5.119 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 -13.524 6.610 -4.116 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 -2.186 -4.121 -1.152 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 16.687 10.754 8.253 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 -24.510 -6.749 2.226 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 6.980 4.988 7.383 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 -0.560 -1.864 7.271 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 6.549 17.162 3.585 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 1.292 -2.078 4.492 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 8.366 -8.038 0.694 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 4.106 -5.516 4.105 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 -6.434 -1.957 -3.577 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 -12.254 -13.419 6.852 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 -13.171 11.163 0.233 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 -9.273 3.778 -7.898 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 -7.196 5.003 -19.463 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 -34.514 -11.590 2.856 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 1.044 0.508 -5.800 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 -12.032 17.126 -2.080 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 -12.112 -10.876 -14.565 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 3.069 7.564 -1.373 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 -3.828 22.874 3.569 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 -1.063 -16.127 -14.678 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 1.654 -2.911 -3.597 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 -0.285 -14.375 6.476 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 -8.975 3.680 -1.294 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 5.208 -0.263 3.047 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 -12.733 -11.533 1.938 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 7.226 8.180 11.810 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 3.246 8.769 -0.125 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 -1.941 -15.809 -8.833 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 -18.463 19.468 -11.176 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 -1.429 2.986 3.931 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 11.468 -3.506 5.499 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 -19.773 6.687 13.419 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 2.307 -0.461 -1.158 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 0.966 -3.429 -0.560 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 1.583 5.987 4.153 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 7.092 2.873 -3.223 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 -4.253 -0.619 -13.281 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 7.546 -4.491 -4.707 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 -2.677 -4.089 4.833 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 -3.442 -10.596 1.597 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 -25.089 -11.023 5.102 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 1.581 -6.278 -4.647 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 -2.216 -6.402 4.527 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 -2.405 -6.745 -16.556 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 3.551 0.618 -6.603 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 -7.103 8.873 5.237 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 0.331 4.785 -2.518 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 5.486 -4.242 -1.499 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 8.576 -11.288 1.225 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 -2.475 -5.822 -5.163 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 -3.152 -1.933 -2.787 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 -20.129 -2.015 22.193 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 0.212 8.481 -0.935 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 6.624 -2.490 0.071 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 -0.917 -11.713 -0.427 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 2.598 -14.156 15.590 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 -0.916 2.805 7.314 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 -23.356 -2.370 -9.842 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 9.506 -6.481 12.766 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 -5.253 0.911 -2.061 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 -0.276 -9.060 7.179 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 -6.798 -5.811 -14.604 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 3.223 3.774 -0.289 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 5.263 -4.285 -17.194 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 5.547 11.073 -3.548 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 -6.743 4.880 -0.460 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 15.673 -9.523 -28.321 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 -9.413 8.138 9.825 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 -0.485 2.180 3.116 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 -7.448 -7.710 2.148 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 11.593 9.579 0.448 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 -3.408 6.463 5.461 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 -1.523 12.606 15.293 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 -0.601 -9.218 -1.118 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 -3.440 -5.165 6.032 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 13.252 -2.895 1.417 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 -14.376 -0.650 21.746 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 2.176 7.707 5.823 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 -8.411 5.005 4.681 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 7.177 -11.853 -6.954 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 -1.370 -2.433 2.997 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 -2.414 1.613 -0.543 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 -0.413 -24.149 12.278 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 0.171 2.679 -4.285 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 25.008 7.904 6.924 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 -18.731 -2.828 -12.453 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 -1.703 5.291 -3.142 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 -19.875 10.739 -3.035 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 23.452 -17.442 -12.737 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 9.932 1.673 3.128 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 37.659 -1.380 -18.000 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 9.774 12.324 21.638 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 4.784 2.464 11.564 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 7.474 6.658 -8.994 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 8.565 -4.386 13.751 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 3.746 -2.299 3.690 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 8.452 -2.073 1.002 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 9.515 1.888 -22.361 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 0.547 0.455 -0.173 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 1.591 -3.469 -12.364 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 13.045 7.933 -2.421 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 2.629 11.575 -0.545 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 21.702 0.949 1.043 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 -14.120 22.095 11.073 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 -3.731 4.193 7.096 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 -4.617 1.350 5.569 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 -5.784 1.847 3.604 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 -3.860 1.193 -3.074 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 18.514 -3.255 2.874 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 -5.731 8.649 26.929 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 0.873 0.772 1.160 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 2.990 -5.949 7.798 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 -0.048 2.645 -0.325 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 -4.680 0.767 2.727 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 -3.527 1.743 9.288 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 -14.677 17.498 16.927 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 2.131 0.019 4.529 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 4.864 -5.067 -20.876 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 15.182 -20.477 12.461 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 14.549 -7.571 1.200 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 8.441 25.552 -5.396 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 25.970 -9.992 13.620 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 3.721 -1.650 2.567 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 16.290 -29.771 -11.187 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 -0.621 -0.051 10.533 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 -4.782 -4.219 0.631 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 -10.260 -7.417 -15.054 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 7.689 -10.845 -3.353 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 1.874 3.544 5.393 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 -3.646 2.131 -1.517 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 -1.382 3.189 14.127 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 -2.215 3.224 -0.585 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 -2.651 -2.390 2.538 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 8.028 -18.956 -11.598 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 5.351 -0.823 1.627 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 9.366 -1.980 12.543 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 17.001 -8.409 0.057 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 -0.306 -7.369 -1.804 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 8.682 2.061 18.859 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 11.294 -8.196 0.430 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 -0.853 9.045 1.146 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 9.745 -7.039 -6.074 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 -16.918 13.419 7.861 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 -0.550 8.066 -0.201 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 3.114 12.760 11.916 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 -12.960 -2.873 2.609 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 1.111 1.008 0.984 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 -3.895 3.352 -1.546 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 4.871 -2.735 3.586 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 4.248 2.018 -2.351 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -5.503 -3.581 -5.034 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 -2.098 4.422 -7.660 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 6.000 4.340 -0.981 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 11.764 -1.814 2.748 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 24.473 -16.887 14.705 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 2.921 -5.860 -1.232 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 2.732 -3.900 -4.851 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 -4.132 -11.984 2.010 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 -1.725 -5.592 3.795 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 8.859 17.513 -24.531 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 -7.948 -14.855 15.720 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 2.385 3.179 4.647 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 4.781 17.121 -14.494 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 -7.454 -1.966 -1.006 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 -0.242 0.123 2.426 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 -14.549 -9.873 -6.986 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 31.581 -0.084 18.270 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 -7.600 -2.575 -7.105 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 -6.002 -18.577 0.204 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 -7.678 2.043 -15.764 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 9.948 -3.759 -6.196 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 18.343 -27.296 7.288 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 0.366 -10.091 2.677 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 1.151 5.423 -3.580 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 -6.481 -16.371 -9.594 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 -7.845 -5.400 -6.789 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 -2.485 -0.434 0.641 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 -8.730 -3.445 1.511 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 7.176 2.698 4.308 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 -1.000 -8.176 -5.131 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 -7.350 -4.287 16.750 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 18.072 -4.134 8.245 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 -0.870 2.752 4.911 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 -18.147 -9.207 -4.676 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 -7.929 5.314 28.144 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 -0.172 -0.366 -3.087 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 -6.954 -8.243 -5.845 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 13.363 3.384 -7.784 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 2.555 5.082 5.619 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 6.141 6.071 4.514 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 4.289 -4.614 8.050 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 0.286 -4.230 5.895 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 -2.062 -15.261 -1.437 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 4.179 -0.849 7.432 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 -0.329 -3.727 -4.300 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 -2.898 -14.689 9.306 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 9.048 -0.558 -1.666 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 1.941 5.265 2.442 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 1.927 3.942 2.406 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 -2.058 9.199 -1.425 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 -4.361 4.130 0.998 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 -2.491 3.551 -3.389 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 -5.534 5.493 -5.866 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 3.667 -2.549 -0.461 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 8.815 23.013 -20.316 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 -7.685 -2.038 9.926 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 0.431 -5.411 8.644 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 6.911 -18.195 -2.701 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 -17.400 -9.878 10.856 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 -0.787 -5.045 -0.087 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 -6.059 -2.135 23.520 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 -8.095 -3.471 -1.141 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 -0.791 -1.390 -2.049 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 -3.238 -16.337 0.863 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 29.014 30.067 -5.144 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 2.838 -1.100 0.894 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 21.238 13.292 -11.933 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 -7.213 4.618 -8.929 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 2.078 -2.720 -3.167 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 22.312 13.344 -9.538 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 14.249 2.130 15.508 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -0.168 -9.298 3.997 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 -3.174 -10.098 7.439 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 14.465 -10.161 -12.017 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 -0.316 4.365 -6.967 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 -4.966 10.993 5.790 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 -3.493 7.625 2.699 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 -0.192 -10.109 -2.331 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 1.428 10.980 -21.004 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 -12.990 -0.849 3.871 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 2.512 6.872 2.351 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 17.689 12.151 -7.673 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 14.514 0.081 11.552 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 1.856 5.092 3.785 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 -11.756 -6.854 8.632 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 -15.881 -18.315 -7.717 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 3.823 -2.224 0.393 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 12.579 -3.862 -9.941 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 -8.849 -15.622 -2.349 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 5.088 5.035 1.234 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 11.885 7.247 -21.001 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 8.136 10.248 -8.378 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 -5.695 0.735 6.456 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 -3.919 -10.000 1.295 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 -0.284 0.108 10.011 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 -1.332 5.702 0.326 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 3.506 4.104 -3.048 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 19.989 10.732 7.859 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 -3.202 0.570 -10.564 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 -2.457 0.833 -9.070 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 5.181 -4.048 -20.484 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 3.043 -1.761 1.445 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 -2.302 -9.005 -15.623 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 1.863 5.796 11.808 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 2.806 -3.742 -9.924 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 9.629 -1.373 8.520 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 25.065 -5.527 -19.219 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 3.687 1.562 -1.326 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 -4.013 -3.609 2.823 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 -5.328 -2.402 0.349 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 3.731 0.719 -2.003 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 10.004 4.353 2.120 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 -1.973 -14.481 -22.129 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 -0.406 3.011 10.366 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 20.111 -1.901 -18.149 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 -3.415 -16.860 22.212 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 5.819 2.076 1.291 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 5.037 18.937 -5.667 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 -4.261 -15.686 -13.281 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 7.016 -4.223 4.218 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 -11.624 -10.558 -2.461 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 -13.614 -1.440 16.938 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 0.255 -0.393 0.407 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 -3.026 -2.437 6.665 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 3.300 0.244 -11.932 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 -6.003 -4.515 0.057 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 -5.014 5.411 -1.120 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 -20.472 -17.724 5.383 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 -1.073 -2.557 -2.662 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 -4.545 -5.386 8.000 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 -2.722 -3.577 -4.146 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 -5.195 -5.935 1.272 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 -4.714 -8.665 -1.879 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 -0.389 -6.998 -15.573 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 0.845 -4.544 -1.548 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 9.455 26.626 6.439 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 -5.457 -9.206 13.967 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 -4.186 7.169 3.283 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 3.109 6.741 10.879 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 -11.910 16.123 -2.287 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 -3.187 -1.000 4.790 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 -11.139 -6.522 11.575 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 -11.479 10.725 1.160 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 4.033 -1.422 -0.676 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 -12.447 -13.248 20.013 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 22.745 -20.966 -22.162 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 0.621 4.128 1.004 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 -5.605 -6.794 -1.023 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 9.519 -4.965 10.097 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 3.735 -4.986 0.433 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 -1.542 26.274 15.196 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 23.407 2.306 3.648 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 0.092 0.396 0.072 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 12.803 -12.886 9.342 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 15.690 -2.559 10.763 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 4.078 -0.262 -3.607 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 18.149 12.589 -5.085 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 1.373 2.550 -5.101 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 -1.292 -0.146 -1.783 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 3.501 -17.303 -6.461 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 -18.926 6.456 21.565 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 -2.026 2.318 6.023 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 -1.128 -8.390 3.344 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 6.560 1.623 -7.921 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 1.189 -0.887 0.433 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 5.277 -14.962 8.422 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 20.548 17.938 -4.838 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 1.328 -6.052 -2.257 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 6.559 6.797 1.252 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 4.121 20.471 11.769 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 5.055 4.296 -0.803 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 18.469 9.654 -5.628 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 -1.670 12.481 -5.486 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 -0.925 10.633 0.284 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 9.294 15.074 7.241 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 -6.092 14.248 -10.722 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 -2.539 1.110 3.276 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 10.373 -8.353 17.563 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 0.039 11.583 7.396 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 0.716 0.371 0.294 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 -10.116 4.578 19.144 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 -3.131 0.871 6.366 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 4.343 -1.842 2.673 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 -1.004 -3.145 7.281 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 -1.944 -21.464 16.874 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 -1.267 -5.448 -0.217 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 -13.892 -5.302 13.599 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 -1.143 -21.265 -4.180 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 3.894 2.205 3.269 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 18.915 7.020 3.495 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 5.851 -2.124 6.034 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 0.544 7.949 -4.140 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 -23.662 8.058 -3.079 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 -7.441 -1.641 -1.387 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 0.025 0.973 1.561 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 -22.926 -25.705 -21.112 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 -11.306 -19.457 1.145 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 0.224 -5.543 3.675 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 2.988 -6.746 -8.520 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 2.910 -10.411 8.302 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 -4.949 -4.197 -2.914 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 -1.282 9.515 -6.401 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 -9.443 -4.125 -8.742 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 -0.304 2.826 0.256 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 -12.351 -8.463 -20.300 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 4.477 5.783 15.960 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 7.696 -3.198 1.421 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 3.801 -13.457 -1.057 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 6.174 -0.287 -2.844 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 2.496 -6.409 -0.286 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 2.852 -6.781 -0.737 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 2.548 -6.928 1.945 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 -1.289 -4.101 1.566 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 17.093 29.735 4.496 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 -2.409 -5.438 -9.548 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 -8.600 4.079 5.022 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 9.344 9.547 -12.667 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 -10.555 -2.470 7.605 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 -4.767 2.327 -0.828 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 -3.796 -5.534 -6.438 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -0.549 0.248 -10.725 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 -0.894 -0.211 4.348 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 -2.941 0.236 -1.619 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 1.950 -2.387 10.097 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 1.586 -8.661 4.155 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 -1.885 -4.992 2.542 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 -11.285 -10.168 14.304 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 2.022 2.064 -4.539 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 2.236 3.319 6.099 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 7.292 -1.139 -34.670 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 -0.317 3.475 -1.259 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 1.689 14.594 8.212 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 4.153 -15.135 -13.520 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 -1.149 0.576 1.703 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 0.930 -5.113 -4.423 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 7.588 17.456 -10.776 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 -0.614 0.341 3.538 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 -6.577 7.454 5.747 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 0.394 -4.605 4.675 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 2.993 -1.179 -5.657 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 14.735 -4.179 3.609 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 1.797 5.252 7.085 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 -3.339 -7.529 -5.570 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 0.434 -16.431 -28.947 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 0.447 6.715 -4.881 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 0.289 -3.337 -1.826 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 -0.201 3.464 1.148 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 -6.828 0.365 -4.617 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 -3.893 -7.492 0.820 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 -17.145 -8.738 -6.325 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 4.383 -4.280 1.612 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 -1.909 -2.420 6.745 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 -6.897 -14.461 13.663 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 -6.504 2.320 -1.848 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 1.195 -1.008 4.510 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -2.773 -1.991 -14.400 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 -6.387 27.869 10.277 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 -4.612 -1.858 -2.129 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 -10.214 -10.901 -5.142 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 0.766 -0.521 -11.209 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 -3.494 -4.092 -1.460 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 28.865 2.042 -20.580 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 -11.347 24.374 -0.155 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 -2.116 -9.256 -2.113 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 -13.007 -2.883 -2.651 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 11.790 -14.712 17.129 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 -3.141 -5.894 -8.977 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 0.352 8.350 8.544 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 -9.032 -10.569 -12.942 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 -0.220 0.757 -1.756 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 -1.891 -15.234 15.696 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 25.272 7.327 -2.719 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 -8.512 -3.604 0.268 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 -12.191 -3.063 -1.454 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 20.759 -8.998 23.917 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 7.940 -2.990 -2.180 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 15.124 7.455 -1.595 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 5.203 2.035 -0.404 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 0.563 6.198 3.461 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 2.954 22.270 6.973 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 4.581 1.038 7.897 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 -9.944 -1.389 -2.653 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 -15.111 10.078 -6.280 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 -27.476 2.495 -15.219 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 2.981 -0.460 7.125 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 10.127 0.527 14.091 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 -17.049 12.385 -7.369 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 3.728 -3.471 4.030 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 -7.342 2.547 21.755 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 15.445 -3.836 -9.416 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 2.186 0.347 -0.619 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 5.707 11.672 8.073 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 5.929 25.800 -20.847 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 0.843 -4.432 6.422 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 -10.888 7.860 14.295 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 -0.941 5.434 -1.164 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 2.253 4.835 0.785 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 -13.627 4.820 -7.198 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 -8.002 -4.552 -3.463 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 -2.357 -6.291 -1.181 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 -15.887 -1.347 9.945 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 -5.608 -1.890 -17.744 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 -0.499 2.730 -0.328 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 4.267 0.281 0.728 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 18.673 -14.048 9.332 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 4.360 3.561 5.884 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 8.546 -0.371 4.079 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 2.425 -13.179 -2.507 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 -8.272 1.037 -3.081 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 -7.405 -4.677 -8.095 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 -20.605 4.492 -0.943 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 2.220 -1.821 -5.800 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 1.936 -15.724 -5.860 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 5.816 -9.231 -5.409 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 -0.579 -1.784 1.755 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 -10.945 16.797 0.327 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 -13.363 30.446 -10.388 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 0.823 -2.226 -2.466 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 -12.585 -5.335 -12.232 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 7.345 -1.574 -9.744 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 3.119 3.094 4.825 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 -13.295 0.581 2.887 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 9.324 -17.171 3.141 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 -5.747 -2.831 -2.871 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 5.558 -0.823 -10.754 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 -9.511 -18.004 -5.288 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 -4.654 -9.384 -1.483 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 -6.565 10.211 -5.094 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 -7.985 -14.250 14.175 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 3.078 -4.173 0.229 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 6.750 -6.614 3.216 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 28.039 -9.731 19.464 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 -0.435 1.271 -4.698 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 5.031 1.339 -2.325 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 -3.219 6.932 -13.311 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 1.459 -6.801 -1.833 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 15.865 16.925 -17.535 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 11.651 10.563 -14.393 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 1.110 5.547 -2.356 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 0.473 4.856 4.923 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 -0.986 7.159 -18.997 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 3.328 0.255 -0.448 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 -2.908 -5.479 4.296 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 12.871 14.078 -3.720 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 5.117 -0.434 1.204 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 7.096 -9.306 1.946 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 10.901 0.038 -3.565 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 -0.775 -1.722 -7.709 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 -6.533 -3.670 6.014 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 -7.060 -23.860 19.571 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 6.777 5.824 2.984 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 1.513 -20.783 -11.288 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 20.622 16.058 9.482 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 4.735 2.286 3.780 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 16.421 -6.631 -1.080 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 -7.240 15.506 9.257 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 -9.503 -4.247 -4.122 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 11.070 -5.057 7.497 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 12.767 -6.436 5.763 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 2.620 2.680 1.977 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 13.321 -3.287 -12.549 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 17.693 12.694 11.169 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 -1.458 -3.485 0.770 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 10.171 -25.489 -17.590 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 -1.230 -12.144 0.368 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 -0.398 6.621 -2.677 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 -10.703 -2.625 -6.479 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 -4.736 3.251 -5.548 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 3.956 -4.816 3.434 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 7.595 -2.941 8.932 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 3.912 -5.251 2.786 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 3.876 -1.974 4.507 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 -6.977 -7.453 7.459 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 8.770 0.610 6.321 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 3.184 -7.489 -2.786 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 -0.491 2.973 8.702 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 4.259 -15.882 5.278 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 3.575 1.015 -2.224 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 11.285 -22.461 -32.731 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -1.622 4.225 22.359 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 9.599 -3.652 2.090 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 17.789 -14.325 -9.101 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 7.682 -20.461 7.366 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 -2.935 -2.878 -1.858 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 0.486 -8.058 4.525 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 -4.356 0.954 3.968 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 1.842 -8.253 -3.672 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 -10.447 0.769 -21.512 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 -5.761 -8.673 12.539 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 -4.298 3.516 2.901 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 -3.137 4.827 1.850 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 -4.878 2.724 -2.511 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 -3.318 -1.226 0.276 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 -17.088 4.855 36.902 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 -0.668 -3.169 -8.077 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 0.316 -0.115 -4.503 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 -8.455 -14.706 0.563 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 -13.897 12.970 -3.890 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 0.340 1.145 2.251 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 4.205 3.164 -1.046 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 -3.675 4.785 4.876 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 4.398 -0.278 -2.425 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 -4.610 33.801 -8.846 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 -4.951 18.987 -5.545 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 -2.601 9.443 4.433 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 2.874 9.582 14.562 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 -5.790 19.357 1.071 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 -0.052 2.848 0.573 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 5.441 3.384 -10.320 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 -7.611 3.991 17.487 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 4.526 -2.111 7.157 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 9.197 -18.042 15.214 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 0.371 12.172 -1.661 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 4.272 5.313 1.228 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 -16.597 -3.524 -6.227 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 -2.980 9.837 -1.943 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -0.450 1.983 5.052 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 7.633 -1.726 3.185 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 0.584 6.406 10.338 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 4.721 -5.027 -2.424 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 14.863 11.059 -9.464 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 0.129 -31.703 -17.662 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 -1.600 4.555 2.440 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 -1.417 -7.917 10.962 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 -8.180 4.216 1.121 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 -4.278 6.487 4.942 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 -15.248 8.831 2.632 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 -13.522 19.768 2.555 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 9.642 -5.671 0.668 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 13.854 -1.984 3.724 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 -1.568 8.170 6.861 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 0.147 4.258 -1.735 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 5.580 -22.793 -2.075 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 -2.997 -5.236 -22.904 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 -3.533 -3.933 1.832 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 6.290 20.303 22.754 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 3.026 10.228 16.575 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 3.600 3.481 -1.153 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 -8.966 -9.083 -8.517 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 -4.964 2.493 18.091 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 0.493 -1.116 -0.317 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 7.214 -1.930 -3.985 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 4.194 5.279 14.073 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 -2.449 -1.921 -1.749 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 14.431 -0.286 15.877 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 -6.422 4.803 2.423 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 1.925 -4.427 -3.456 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 3.702 -10.399 3.928 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 6.969 -27.333 9.824 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 5.119 -1.875 4.520 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 4.900 -1.856 4.182 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 -4.564 -19.223 -4.813 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 -8.678 3.228 1.796 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 -7.803 3.405 3.787 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 -16.926 -3.817 4.923 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 4.066 -0.952 -0.260 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 -27.962 -7.392 8.350 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 -1.130 11.127 0.239 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 -4.551 -3.547 -4.480 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 14.502 10.778 -5.321 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 0.270 -24.870 3.428 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 -7.879 -3.770 2.555 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 -10.286 -1.114 3.236 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 -10.980 0.101 2.425 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 8.569 3.282 3.755 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 17.815 -2.264 4.845 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 6.806 -4.124 4.264 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 0.171 2.490 9.507 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 12.650 28.416 -16.299 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 -11.032 1.030 -17.299 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 3.298 -2.629 -7.384 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 6.040 -2.686 -3.474 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 3.817 -13.597 4.954 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 0.224 -2.841 -0.623 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 -13.451 40.175 5.635 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 2.682 6.945 5.762 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 3.107 0.375 -2.833 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 16.870 -4.971 -13.837 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 -11.134 24.443 8.143 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 0.709 -2.321 0.576 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 -7.224 18.946 21.957 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 15.713 -9.612 -18.896 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 -0.680 -0.368 -4.636 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 3.251 -7.149 -13.531 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 -1.561 1.224 -1.334 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 -5.400 -6.059 4.888 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 -25.775 -4.313 -2.497 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 -8.411 -5.719 17.495 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 -1.353 -2.639 1.373 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 -16.551 17.340 -4.334 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 3.394 -14.779 -1.791 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 2.077 -3.781 4.286 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 -9.683 4.272 3.070 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 1.963 -10.132 8.767 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 7.754 5.321 -1.033 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 12.485 5.876 -1.047 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 6.625 7.035 -1.266 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 -8.711 1.708 2.632 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 -12.575 -2.874 -28.401 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 -18.405 6.130 5.752 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 2.022 -0.887 -3.098 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 -3.524 5.484 -12.061 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 -5.853 -2.448 6.074 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 -2.578 -4.052 -0.177 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 0.976 22.151 13.723 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 0.018 13.384 8.866 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 1.839 -1.967 6.180 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 10.827 0.332 0.914 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 0.235 -0.955 0.780 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 -4.431 -1.186 2.217 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 -10.369 -10.040 -0.867 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 4.560 -6.131 -3.651 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 -3.081 2.899 -3.299 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 -15.968 -5.470 -18.479 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 -23.305 -16.983 -3.918 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 -4.959 -0.084 -3.484 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 15.964 8.479 21.804 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 -9.502 9.148 -22.015 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 -0.373 -1.865 -0.194 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 0.207 -2.226 -0.383 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 32.789 6.108 11.280 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 2.624 0.390 -3.121 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 3.106 7.049 9.257 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 7.083 -4.287 -3.484 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 -3.838 -5.184 -4.624 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 -18.596 -7.412 -7.709 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 8.540 -1.745 -1.857 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 0.426 3.443 -3.732 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 0.773 7.136 -5.421 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 6.786 4.430 -6.137 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 4.583 3.141 -3.891 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 21.073 -5.269 -21.697 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 18.554 19.185 -13.310 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 3.098 -1.507 -1.997 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 6.131 -18.841 -2.290 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 -6.018 9.532 5.519 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 0.774 -3.080 3.003 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 4.510 -2.158 2.743 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 0.136 -2.630 1.699 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 -2.944 -5.516 -0.545 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 -24.136 -8.851 15.449 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 1.920 17.789 -9.551 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 -1.049 -1.465 -1.756 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 6.687 0.487 2.438 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 5.871 10.778 -7.052 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 3.361 0.009 -3.464 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 1.771 -1.302 -1.200 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 3.911 -1.997 -4.045 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 -2.766 -1.425 -1.110 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 10.994 -10.193 -3.056 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 -24.306 18.668 17.891 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 1.227 3.404 -1.762 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 -6.389 22.917 -25.607 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 9.546 -2.919 -19.823 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 -3.067 0.021 0.512 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 -7.783 2.339 1.377 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 1.040 1.247 4.570 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 7.449 -0.710 -0.787 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 3.783 6.732 0.025 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 11.741 8.329 -5.773 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 -0.144 -4.984 -5.107 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 -15.679 -5.916 -11.378 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 5.264 -5.814 -5.351 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 -3.528 0.852 -3.767 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 -2.146 1.482 -0.644 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 -4.753 24.555 -8.066 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 -2.520 -6.687 -0.277 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 15.433 -22.050 -3.115 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 -2.347 -6.887 5.950 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 -3.846 -7.803 0.289 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 -3.724 -19.966 -10.026 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 19.261 -31.543 5.262 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 -3.324 0.281 10.173 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 -2.180 -8.448 -9.244 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 -15.078 6.870 16.972 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 4.824 -5.288 0.707 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 4.834 -6.579 0.585 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 5.072 -2.982 0.564 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 1.458 2.540 3.686 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 11.239 2.305 7.925 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 -3.565 0.299 -5.647 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 4.900 -3.064 5.380 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 3.892 10.302 -6.781 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 -31.236 29.687 -12.557 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 1.447 5.241 3.862 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 -15.005 -4.882 0.960 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 3.961 -14.164 -11.111 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 -13.708 0.734 0.922 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 -10.661 9.302 3.480 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 -10.328 15.752 9.458 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 -1.123 2.137 0.984 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 29.740 -2.721 -10.514 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 -7.211 6.290 2.692 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 0.601 -0.718 1.663 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 5.873 3.253 13.057 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 0.136 0.318 -13.867 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 4.381 0.429 0.288 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 -6.433 20.134 -5.197 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 10.418 -4.646 -8.781 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 4.528 -0.443 -2.926 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 -6.224 -14.792 -18.900 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 31.045 19.300 13.226 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 0.697 1.548 -9.696 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 -0.870 8.555 4.477 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 -11.763 8.346 -7.798 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 3.407 -2.640 -8.437 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 20.130 14.940 13.216 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 16.965 -11.126 -32.239 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 3.201 10.737 -5.688 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 -6.658 5.217 1.190 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 -1.054 7.620 -4.100 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 4.383 1.292 -1.925 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 19.754 1.792 -1.051 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 -1.047 -21.126 -13.707 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 -1.712 -0.342 -0.651 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 -9.697 -31.285 -0.773 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 6.283 13.798 -17.597 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 -6.149 -5.915 -0.619 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 13.324 -11.111 -12.896 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 -5.117 11.560 -27.749 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 -2.676 -2.017 -4.045 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 -16.283 21.389 -7.810 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 -8.614 -6.818 -4.227 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 4.865 -2.309 2.080 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 -9.492 -12.967 7.309 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 7.440 1.244 -22.125 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 -1.008 2.195 0.655 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 6.990 -10.141 0.345 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 7.158 22.535 -13.746 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 -2.088 -2.812 -2.879 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 -14.223 3.028 -0.750 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 -22.141 0.595 -14.699 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 1.827 2.220 -1.342 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 -9.275 -27.121 2.142 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 0.651 3.966 -6.634 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 -1.237 1.639 2.967 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 -2.947 -18.352 8.267 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 1.899 11.252 12.089 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 1.443 3.406 4.219 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 -6.385 15.654 -5.151 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 -7.079 -11.082 2.435 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 3.391 -1.508 -2.325 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 5.074 -2.174 -9.830 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 -2.333 8.681 -3.491 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 -1.607 4.200 3.646 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 1.638 15.362 24.077 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 1.626 13.613 23.622 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 -2.815 1.288 -2.123 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 0.947 -4.974 -13.275 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 -2.496 -3.503 -17.561 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 6.235 -2.259 -5.238 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 18.749 0.739 -8.565 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 7.084 7.624 2.166 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 -1.525 4.571 2.900 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 8.016 8.161 -14.752 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 -12.449 -4.071 -0.033 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 0.298 4.428 -1.687 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 -4.531 6.013 -2.245 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 2.502 8.697 -1.967 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 7.784 -5.222 5.271 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 16.673 -3.872 -17.300 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 0.403 -11.601 -5.409 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 -6.008 8.976 1.058 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 3.613 4.614 5.664 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 -7.454 8.590 -13.867 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 7.314 4.154 -6.835 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 2.253 7.484 -7.644 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 14.144 2.831 -5.302 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 -4.340 -4.054 0.773 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 -22.086 6.174 3.707 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 14.065 3.817 -7.751 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 1.854 1.854 2.808 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 1.980 6.265 -14.338 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 3.744 19.190 -9.197 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 3.098 1.732 -0.971 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 9.346 3.921 5.003 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 -5.516 -2.123 16.879 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 -2.901 -0.819 6.034 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 7.358 -5.980 5.114 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 2.757 12.157 8.853 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 -3.947 -9.931 -6.295 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 -0.230 -1.794 -14.930 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 -12.213 13.582 0.299 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 -0.507 -0.218 -2.053 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 1.074 -2.690 0.127 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 -4.211 0.775 -5.328 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 -1.488 -1.761 -3.699 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 8.214 -4.898 -2.990 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 -19.581 6.185 -9.830 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 -5.227 4.153 3.446 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 8.053 -1.658 -10.014 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 5.573 -9.365 -7.761 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 7.274 -0.448 2.214 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 9.769 7.164 -5.954 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 5.299 -9.260 11.780 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 4.483 -3.910 -8.529 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 12.318 -7.001 -0.845 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 3.985 2.437 -27.690 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 3.665 -2.475 2.161 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 -6.282 -0.812 -22.865 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 27.580 -0.105 -5.029 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 -0.789 1.635 2.138 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 -6.809 -9.054 3.670 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 -19.106 -0.140 -10.743 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 -2.229 0.494 1.120 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 -1.307 6.383 3.044 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 -2.267 1.383 -4.408 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 0.158 2.268 5.723 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 9.528 3.783 -12.562 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 -26.994 -1.047 0.905 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 -2.500 3.093 7.658 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 -4.409 5.568 11.875 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 -3.702 3.468 4.174 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 6.217 4.688 0.386 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 13.259 7.418 4.974 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 18.242 12.253 12.254 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 4.142 -1.386 1.677 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 -1.316 -8.899 7.638 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 4.479 -1.883 -0.308 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 -1.866 -0.862 1.601 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 -16.277 10.289 5.359 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 -10.169 2.718 17.827 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 1.868 6.859 -6.663 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 9.592 11.707 -3.440 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 -5.817 22.004 -22.982 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 4.316 6.697 -0.876 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 16.060 2.837 -3.906 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 4.888 6.908 -11.676 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 4.084 -0.987 -0.789 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 5.359 -2.126 -8.749 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 -3.934 -11.171 -28.565 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 -1.363 2.980 -1.137 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 -12.628 1.003 8.850 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 7.424 -2.441 -8.099 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 3.306 -0.722 1.512 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 1.523 8.171 -11.852 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 8.049 -7.707 -14.020 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 -2.331 7.418 -0.104 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 -7.365 24.465 8.303 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 -7.333 -8.829 2.008 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 0.431 2.776 4.464 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 -4.120 -5.754 1.791 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 8.532 7.346 20.294 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 -3.127 -1.571 0.399 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 -17.500 -20.693 21.450 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 -12.655 -14.344 14.754 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 -6.208 -2.508 3.581 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 -0.155 -8.159 -5.791 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 -10.255 3.355 -2.033 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 2.686 3.026 -0.223 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 -15.741 -0.500 4.203 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 22.317 7.407 -5.176 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 -3.780 -0.934 6.042 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 0.368 -4.053 5.748 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 16.988 4.766 7.551 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 3.016 7.159 -7.092 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 5.904 13.830 -2.570 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 -6.581 -1.152 -8.676 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 1.125 3.972 -0.183 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 1.951 2.884 3.606 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 5.782 3.933 1.367 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 -0.547 9.148 -2.477 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 -6.091 5.071 30.970 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 14.493 -14.452 24.668 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 -7.341 1.969 4.858 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 -1.109 -12.883 -24.420 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 -2.043 -8.974 -14.884 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 -0.405 1.482 -1.272 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 4.423 -26.825 15.765 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 1.973 -12.231 6.681 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 3.629 5.588 2.002 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 8.095 1.570 -7.657 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 11.622 6.798 8.950 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 -5.478 -1.618 2.203 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 2.297 4.051 24.483 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 -14.619 13.075 1.039 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 2.617 6.364 3.136 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 9.613 8.369 -20.929 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 -1.380 -4.112 -14.249 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 1.520 5.056 -4.648 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 -1.231 6.753 5.448 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 -3.591 8.953 9.806 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 0.573 -4.344 -0.590 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 -1.206 -5.167 -0.421 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 -7.976 -6.851 -10.513 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 8.087 -0.441 0.619 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 0.083 6.410 5.745 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 7.234 1.517 8.244 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 -3.867 -1.308 4.478 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -12.479 -10.177 -6.859 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 8.726 -11.269 8.440 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 3.662 0.049 -0.999 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 7.457 3.781 -7.714 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 8.504 -7.715 0.750 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 6.302 7.330 -5.814 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 -9.721 -18.533 -13.771 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 -8.426 -4.098 6.903 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 8.987 0.854 1.501 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 0.651 0.928 -15.813 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 20.144 11.324 20.967 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 -1.495 1.384 0.421 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 22.581 -5.816 19.853 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 -29.672 -4.916 -5.025 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 -0.201 -3.471 3.605 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 -10.194 -13.697 -1.584 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 -7.804 4.455 12.993 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 -2.475 2.534 -3.107 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 14.385 -2.311 7.143 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 0.092 -1.346 9.820 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 4.535 1.550 0.412 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 7.096 3.917 -1.085 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 2.357 0.350 3.971 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 1.199 0.277 3.307 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 17.860 4.394 -3.953 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 14.888 9.374 -5.347 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 2.323 -1.979 -2.834 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 4.312 -0.404 -0.846 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 -4.750 -5.454 -6.545 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 -0.934 2.850 -2.717 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 -9.675 -10.983 3.337 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 13.793 0.453 -8.215 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 2.099 1.503 -1.265 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 12.630 -7.442 7.212 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 21.635 -9.884 -9.717 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 -3.503 3.001 -3.859 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 -12.336 2.085 3.836 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 -6.753 25.502 -1.780 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 1.023 1.450 6.692 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 -9.204 -8.117 2.705 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 -11.634 8.867 -0.013 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 -1.739 1.891 2.614 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 -12.372 6.222 7.392 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 1.971 6.624 14.027 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 -4.729 2.747 -1.310 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 -6.149 4.652 4.718 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 -8.152 -5.134 6.526 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 4.353 -2.318 0.668 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 26.122 -24.875 -3.742 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 15.847 -18.143 -15.815 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 -3.577 3.420 -2.850 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 -4.465 -3.750 1.826 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 -3.339 16.143 -11.566 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 -7.147 -2.391 -0.614 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 1.871 -15.644 -22.419 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 -28.470 6.603 -12.541 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 0.910 0.802 -0.073 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 -2.157 -14.226 0.115 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 12.229 11.949 -9.977 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 -0.618 3.301 -1.589 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 -15.964 5.818 -22.253 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 9.121 27.502 6.172 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 -5.665 1.301 -3.305 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 -0.542 -13.990 -31.766 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 5.204 -3.590 -13.921 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 4.699 4.671 -5.270 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 11.654 -1.705 -2.889 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 7.418 8.245 -13.311 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 0.130 -4.686 -1.459 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -3.360 -9.160 -7.031 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 0.622 -9.790 5.840 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 -4.238 -0.241 -0.590 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 -1.959 4.347 -0.766 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 -6.697 15.442 -0.811 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 -1.070 3.139 -1.240 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 -4.795 -0.465 -12.078 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 5.598 7.467 -4.860 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 -1.404 -1.979 2.327 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 13.173 -8.185 3.984 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 -1.454 19.420 -8.604 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 4.274 4.625 -2.486 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 20.178 -0.460 -8.104 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 -4.007 -10.124 10.771 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 0.346 -2.863 2.744 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 -7.255 3.806 2.106 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 -14.493 -7.264 2.903 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 4.883 3.450 -3.894 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 6.409 6.884 7.059 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 15.996 -3.487 -7.164 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 -0.644 0.115 -1.016 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 2.425 -10.143 -5.767 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 7.544 -21.243 -12.999 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 -4.712 -1.607 -1.230 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 8.185 -11.165 -0.073 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 -16.346 -0.755 -2.802 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 -3.586 -1.750 7.646 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 3.840 -14.551 6.810 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 -3.950 -1.028 5.642 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 -1.502 2.149 3.006 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 4.782 -13.862 15.611 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 -9.467 19.889 -6.982 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 -3.236 -2.806 3.122 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 16.601 -13.595 -1.633 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 -17.334 -18.929 7.651 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 -3.471 -5.756 1.945 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 9.531 -9.632 4.309 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 16.442 -5.646 6.119 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 -2.231 -1.518 -6.233 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 -8.797 4.218 1.506 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 -2.776 10.973 3.061 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 -1.987 -7.377 -1.783 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 -19.549 -6.297 -5.804 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 10.636 -2.373 0.275 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 -3.510 -3.530 7.160 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 -5.607 2.384 -16.416 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 -3.873 -16.394 -15.745 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 1.065 -3.853 -1.727 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 2.655 -9.254 28.816 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 -11.869 -0.922 -4.944 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 1.253 0.122 -3.352 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 5.443 14.956 1.937 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 -9.426 3.774 -6.960 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 0.931 2.451 -4.070 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 4.061 11.802 -5.747 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 -2.271 -1.053 -9.925 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 -3.383 -8.063 0.566 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 9.549 -0.497 1.157 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 -7.180 -11.237 14.537 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 -2.216 1.616 -0.467 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 -27.921 -6.016 -11.767 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 5.576 -7.023 -6.914 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 1.197 -3.416 0.989 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 4.591 6.043 19.098 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 -14.996 -13.908 -2.810 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 -0.877 -1.220 5.165 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 -13.252 -5.109 16.265 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 2.133 -3.918 1.010 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 -0.402 3.216 2.606 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 -4.578 -3.106 -2.123 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 -13.184 19.349 3.957 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 -0.354 -1.419 0.923 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 -15.019 0.607 23.815 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 -11.303 16.340 17.289 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 -1.467 -6.504 -3.730 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 27.404 24.131 7.269 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 3.555 4.532 -4.790 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 -0.684 -3.627 0.824 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 8.264 -15.038 15.104 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 -2.881 -46.666 -15.456 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 -6.707 7.692 -1.364 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 -1.737 12.058 -15.524 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 -0.414 17.949 5.935 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 9.872 2.070 -1.857 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 3.977 11.443 14.789 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 15.010 -6.436 -14.484 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 0.298 -3.328 -6.508 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 -3.482 -15.945 3.380 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 -16.588 -7.109 24.897 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 0.495 -4.319 0.684 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 -38.841 -6.651 -15.010 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 16.295 11.517 5.589 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 1.847 -7.413 2.175 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 26.767 -4.399 -6.138 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 4.647 6.394 20.581 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 -4.848 6.470 -2.603 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 3.717 -0.710 -0.972 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 -3.605 9.855 -13.647 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 5.633 -0.071 2.633 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 11.004 9.629 -15.237 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 11.303 12.374 -16.028 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 -2.635 -2.487 7.016 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 4.274 -26.945 -8.016 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 23.013 7.028 16.140 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 3.415 3.414 -5.379 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 5.857 -7.732 -5.080 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 -8.147 8.168 2.674 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 1.641 7.044 -0.061 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 9.013 28.332 -1.109 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 -20.818 7.412 1.957 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 -0.201 -5.527 3.277 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 -4.982 5.235 11.735 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 -6.969 9.961 7.737 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 0.349 -0.613 -8.254 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 -7.356 33.743 2.700 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 -4.320 6.293 16.214 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 2.190 -1.941 5.627 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 -3.820 -1.076 -3.674 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 -7.113 -3.668 1.222 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 -3.061 -7.250 -3.400 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 1.915 -10.615 -1.982 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 -8.604 -6.262 -0.893 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 -0.032 2.662 -5.163 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 -10.236 -11.997 -21.382 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 14.996 -7.045 -20.917 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 1.423 -2.296 6.010 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 -8.964 -19.683 23.620 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 0.380 21.329 20.026 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 -1.549 -0.899 10.322 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 -6.848 4.770 -2.191 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 0.886 -1.190 8.335 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 4.179 -4.299 -3.321 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 25.401 2.132 -5.629 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 0.958 0.608 8.948 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 -3.121 5.521 -5.090 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 -6.188 0.216 -18.121 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 5.327 3.445 -3.813 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 -0.645 -1.504 -0.406 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 -1.518 1.504 4.099 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 -0.757 -0.340 -0.845 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 -1.074 -3.868 -0.583 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 17.941 -2.554 -13.022 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 -6.394 3.566 23.996 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 -4.687 0.502 -4.560 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 -11.930 3.488 19.520 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 -3.480 22.215 -17.671 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 -6.170 -0.921 2.787 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 -9.359 -2.256 6.110 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 -0.682 -3.082 3.741 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 -1.540 5.435 -3.570 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 2.728 3.686 -3.299 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 14.814 -4.477 2.760 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 -3.331 -1.980 6.029 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 11.160 4.778 -10.377 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 -10.295 -5.840 9.876 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 0.209 0.172 -0.679 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 4.191 7.045 -5.490 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 2.853 -7.784 1.692 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 4.090 -4.851 0.879 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 -20.092 1.457 -16.860 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 2.916 -24.620 -4.264 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 0.047 -10.682 -0.310 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 -9.644 -8.225 4.887 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 2.643 -9.770 -8.240 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 0.244 7.757 -0.719 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 -1.643 -0.159 -0.950 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 1.729 10.672 -5.599 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 -0.855 1.921 -1.139 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 4.133 5.592 7.873 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 0.730 9.418 -14.860 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 -6.373 -1.530 -5.074 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 -18.265 -7.160 5.125 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 -1.056 1.676 -9.031 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 6.686 1.424 -4.941 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 3.410 19.817 -4.768 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 15.615 -40.582 3.650 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 -2.245 1.827 -6.173 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 7.983 0.266 11.776 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 2.882 -0.941 4.559 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 -6.321 2.654 -2.779 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 -0.354 -9.179 20.182 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 6.062 3.324 1.873 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 -0.707 -8.102 -1.660 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 -4.785 -40.548 20.992 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 21.291 13.358 -25.229 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 -5.094 0.280 0.708 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 -7.167 -1.803 -5.511 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 1.644 4.485 6.886 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 -2.323 6.680 4.419 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 -22.737 7.038 0.937 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 3.564 -2.139 -10.391 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 -5.207 -3.726 -2.606 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 0.187 -4.040 19.605 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 3.156 12.687 21.762 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 2.487 -0.104 -7.665 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 -2.950 -6.050 -33.122 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 -7.552 -10.533 15.865 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 -0.504 -3.258 -7.149 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 -5.520 -13.493 36.588 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 6.139 -0.030 -17.813 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 -1.998 -4.272 5.451 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 -3.123 12.727 -6.933 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 -23.558 -1.156 -9.438 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 -3.809 5.082 1.314 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 3.870 -1.015 18.401 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 -15.273 8.198 0.173 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 2.700 3.654 -1.756 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 9.379 -3.772 -10.040 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 11.785 2.236 15.085 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 -3.662 1.894 -3.067 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 -6.083 -12.200 -22.569 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 2.882 -17.586 -28.107 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 1.292 0.698 -1.627 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 11.352 -6.635 -3.499 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 8.187 -6.166 -2.126 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 -5.372 -1.209 0.696 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 -0.696 -7.137 -13.683 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 -7.385 15.753 -14.541 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 4.948 -4.260 1.347 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 18.042 0.014 24.827 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 13.036 6.975 -6.235 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 -6.295 3.276 0.435 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 16.003 -14.415 -5.105 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 -30.073 -24.949 -13.672 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 -6.866 2.385 -0.678 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 -28.947 29.978 8.382 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 1.719 -16.836 7.593 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 5.985 -4.090 0.470 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 4.154 0.745 -4.017 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 9.626 -15.083 0.532 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 1.046 2.630 -3.381 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 1.524 -5.249 -5.067 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 -8.322 -8.479 4.222 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 1.113 -6.944 0.018 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 -15.670 -11.360 -6.910 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 14.896 -6.600 -4.240 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 5.501 -3.598 -4.103 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 -13.390 8.069 28.088 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 -0.596 24.471 -28.648 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 -0.579 2.500 -0.056 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 4.317 8.613 -13.900 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 -12.487 2.441 9.624 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 -1.320 -1.095 8.098 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 -14.336 -2.238 -5.051 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 -8.168 -1.210 23.666 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 1.518 1.211 -4.626 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 34.160 2.305 11.123 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 -18.905 0.971 -21.665 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 8.991 -0.905 -0.624 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 10.818 6.053 -1.583 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 0.019 -7.463 10.480 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 2.557 4.626 -1.392 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 -7.395 -23.236 -11.290 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 -8.822 34.278 10.009 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 -8.398 -3.312 -3.691 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 -3.407 -1.745 -3.298 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 3.344 -6.183 7.164 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 -0.088 4.822 0.658 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 1.330 15.253 -5.452 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 5.560 3.074 -1.392 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 1.645 -1.222 0.028 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 -6.715 15.064 -20.156 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 -2.842 27.022 -16.740 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 -0.415 -1.160 -1.630 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 -20.855 1.054 -10.362 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 12.418 -10.325 0.566 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 -4.801 0.856 -4.023 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 -5.674 -4.344 -1.935 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 -3.467 5.884 -5.919 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 -3.011 -5.817 -2.660 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 2.651 -4.203 6.224 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 -5.745 -4.701 -1.925 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 -2.031 2.716 0.061 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 -12.975 -12.594 -10.529 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 4.639 13.134 -19.349 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 0.227 0.531 -2.941 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 12.862 -9.103 -13.502 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 -2.209 -19.081 -13.442 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 6.726 -1.559 -3.877 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 7.686 -4.621 -4.568 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 5.874 1.553 0.645 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 4.254 1.059 3.715 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 6.723 -32.536 7.918 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 -15.680 -0.538 -22.659 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 0.748 -4.847 -11.947 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 -2.991 -0.100 -0.368 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 -4.454 10.830 2.649 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 5.650 0.134 0.703 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 5.501 -0.093 20.223 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 -11.915 23.798 -5.962 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 -1.164 -1.894 0.110 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 -8.809 2.899 5.548 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 -14.010 -10.918 2.977 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 3.487 -1.822 3.124 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 2.463 -31.479 -1.089 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 4.279 -34.117 -11.411 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 -3.241 -0.844 0.313 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 -0.703 -1.302 8.985 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 -9.780 3.554 3.970 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 6.804 -5.437 0.749 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 5.457 -1.302 -6.561 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 -5.893 -12.052 14.890 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 7.023 6.123 6.109 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 14.678 -8.080 -2.212 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 8.692 12.242 -12.708 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 2.015 2.363 -2.394 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 1.967 15.058 -29.544 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 29.184 5.576 7.101 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 -2.246 0.177 -2.918 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 -11.147 -0.246 31.843 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 29.346 -4.212 -0.229 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 0.586 5.768 1.343 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 -5.720 2.275 6.999 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 1.771 4.455 -1.689 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 -0.402 -3.446 -2.676 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 6.702 6.662 -4.213 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 -9.224 1.339 5.333 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 3.825 0.748 4.397 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 -7.065 16.326 13.169 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 11.878 -5.506 -2.606 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 4.041 -0.855 3.037 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 8.267 2.343 -4.605 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 4.182 -2.105 1.394 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 -1.687 0.229 7.293 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 -0.114 -9.545 -7.382 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 -16.023 -8.051 15.740 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 1.593 3.300 -3.265 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 5.679 13.197 2.438 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 -1.972 6.212 23.624 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 -0.992 -8.526 4.225 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 15.339 -8.549 20.395 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 2.467 -28.716 -7.373 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 -1.155 -1.069 -0.923 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 -7.747 -4.305 -4.001 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 -23.231 -15.224 -0.843 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 -0.818 1.057 -0.463 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 -8.636 -11.801 10.897 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 -6.340 -8.873 8.595 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 2.300 2.262 0.086 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 12.997 -16.179 5.060 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 -3.367 10.782 5.500 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 2.073 -5.779 0.155 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 -2.067 -4.487 19.711 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 14.363 -8.528 -13.139 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 0.220 0.292 -2.990 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 -3.001 12.235 -3.449 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 11.724 -2.721 9.878 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 3.598 -2.209 -0.636 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 27.636 -9.442 -18.840 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 -12.373 5.437 -3.770 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -2.935 -3.885 6.786 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 18.767 38.937 -13.662 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 6.256 24.115 -8.071 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 0.120 0.212 1.848 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 -4.554 18.784 -12.110 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 15.133 -16.236 2.424 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 -3.409 -3.861 -1.443 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 2.042 -16.839 -13.075 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 -16.109 -18.600 -23.678 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 -0.994 -9.440 -7.157 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 8.789 -6.433 -23.266 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 -8.236 4.213 6.271 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 -4.345 -2.777 -5.505 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 -13.061 -9.845 -0.051 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 -0.803 4.036 -6.611 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 -0.101 6.908 -1.303 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 8.576 3.900 -1.529 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 -4.998 -11.421 5.812 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 -5.891 1.913 -1.275 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 -10.371 2.242 14.643 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 -1.669 1.665 10.204 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 3.838 -9.112 0.417 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 -9.593 6.868 15.194 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 16.409 -17.606 -9.353 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 -7.288 -3.421 0.812 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 14.815 -19.480 12.841 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 23.769 6.533 20.563 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 1.239 0.651 5.118 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 -8.788 3.467 0.840 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 14.765 3.023 18.850 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 5.168 2.732 -0.275 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 25.666 -2.852 -15.776 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 -14.136 -1.985 -14.714 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 1.574 1.384 1.346 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 1.540 0.437 2.271 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 4.694 0.096 5.145 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 -1.837 5.516 -2.165 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 -2.076 12.078 -7.176 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 -0.525 -27.231 6.810 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 -3.247 -1.149 -2.769 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 -7.121 21.147 7.274 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 1.233 -15.244 17.829 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 3.808 1.815 -1.598 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 -5.211 -2.911 4.195 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 -11.203 -6.011 9.572 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 -8.044 3.040 3.471 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 -0.298 11.109 -3.336 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 -8.588 14.010 21.509 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 1.855 -3.889 2.347 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 -1.607 -6.678 8.700 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 -2.870 -3.018 -2.290 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 6.821 3.264 1.642 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 6.528 4.564 1.477 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 1.752 20.492 -3.204 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 4.559 -4.393 4.508 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 -6.992 -35.596 -9.410 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 2.068 -9.219 28.627 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 -8.015 -9.520 6.386 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 22.504 11.382 -17.927 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 1.244 -3.146 -2.598 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 -2.385 -2.676 -0.722 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 -2.053 9.978 2.271 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 4.838 4.871 15.706 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 -1.696 -0.327 6.348 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 -9.147 5.453 20.948 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 -2.745 13.308 -5.247 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 4.356 2.677 4.445 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 -12.665 5.734 -7.390 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 6.689 1.670 30.485 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 -3.523 4.166 0.873 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 -4.454 0.471 4.533 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 -2.521 5.145 17.884 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 7.274 1.191 1.404 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 4.733 20.404 4.318 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 6.957 -1.599 5.276 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 -1.559 1.852 -4.184 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 -28.647 -5.357 -1.686 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 0.508 3.669 6.814 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 5.935 6.048 -4.798 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 3.290 14.758 -10.328 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 -1.146 13.010 7.852 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 1.931 -1.365 -1.450 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 1.926 -2.202 -1.924 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 0.143 15.785 -3.431 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 0.828 2.332 1.321 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 1.860 -16.090 0.136 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 6.045 -6.007 1.414 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 -2.750 -2.966 3.850 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 9.581 -8.828 5.128 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 -6.506 -6.353 1.660 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 -1.508 -4.131 2.854 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 14.669 -28.076 8.461 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 1.278 3.699 -13.420 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 -2.031 -0.850 1.190 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 -31.262 17.424 9.688 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 -0.606 -2.111 3.011 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 -6.376 -6.743 -5.022 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 2.811 -13.037 -0.916 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 9.344 -0.253 6.639 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 -8.408 -3.262 0.052 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 -8.504 -6.694 5.165 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 -14.882 21.885 -13.857 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 -0.194 7.339 4.438 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 -5.958 -8.404 -1.988 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 1.787 13.834 -1.733 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 2.488 -1.331 -2.606 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 -8.809 18.097 33.601 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 22.006 -15.887 -8.271 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 -3.012 -0.770 0.621 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 -7.210 11.970 5.453 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 -5.100 2.228 3.225 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 -3.398 -5.728 0.952 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 -39.122 -15.563 22.176 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 -14.454 11.954 6.192 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 -3.080 5.417 -9.610 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 -12.127 10.039 -1.982 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 2.561 4.393 -7.418 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 0.008 1.776 -1.627 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 11.509 7.225 26.364 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 10.966 14.286 -4.693 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 -3.807 -4.047 -2.279 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 1.532 -3.671 -7.746 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 -4.780 -10.449 -12.683 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 3.094 -3.387 3.721 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 10.856 -8.817 0.274 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 5.031 -4.732 2.613 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 -0.333 -1.663 -0.222 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 -3.267 -3.509 -10.965 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 1.887 9.221 -1.457 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 -4.500 -7.914 -4.038 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 -0.100 -10.443 -19.587 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 5.805 -13.486 -26.728 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 -1.620 -1.504 0.350 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 5.783 -2.327 -4.580 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 0.079 4.533 4.098 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 -0.234 2.116 5.054 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 -3.460 -0.070 7.828 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 -12.995 11.064 -3.909 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 -1.186 1.107 2.774 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 -5.556 -0.914 6.368 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 -7.737 14.860 0.463 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 1.198 0.619 0.739 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 -0.254 -17.679 0.812 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 1.265 4.325 -15.228 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 1.512 1.788 -6.109 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 13.542 0.196 -6.136 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 11.231 22.886 12.125 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 1.946 -1.873 -0.353 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 -2.790 -1.552 1.719 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 1.358 -6.120 -2.139 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 0.121 1.465 6.883 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 7.076 9.942 3.554 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 15.609 8.036 -5.270 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 2.997 1.363 -1.580 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 8.962 1.239 -5.564 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 8.427 1.495 -4.964 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 2.485 -3.787 2.401 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 6.459 -2.136 -4.436 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 -10.045 3.016 -13.203 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 5.434 -0.535 -3.058 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 3.412 -13.105 6.363 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 16.779 -6.943 -9.515 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 4.693 1.598 -6.551 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 5.394 -1.191 -3.644 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 2.210 0.779 -5.745 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 2.169 -1.519 1.439 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 7.873 -5.079 12.634 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 -25.817 5.202 -46.708 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 -4.155 -1.891 4.255 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 -6.045 0.652 1.620 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 -2.516 -12.147 11.795 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 5.209 -2.510 -2.355 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 7.945 3.668 -5.336 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 -1.783 -0.081 10.295 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 -2.964 -3.129 2.880 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 -5.426 -0.282 0.666 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 1.467 -6.092 1.076 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 -10.274 -0.488 -1.777 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 24.533 16.517 -0.241 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -16.630 -1.551 23.763 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 1.370 -1.274 -10.257 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 5.703 0.917 6.240 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 10.476 -4.716 -4.131 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 -3.646 -5.800 8.870 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 -2.834 -5.023 12.443 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 -4.111 -4.360 5.808 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 -1.113 -1.002 1.628 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 -10.485 -4.477 3.544 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 -20.575 6.650 4.014 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 -2.669 6.383 8.977 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 -3.100 12.905 12.651 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 3.660 -6.967 -2.434 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 1.212 4.164 -4.877 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 -2.751 6.206 -21.030 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 3.425 -9.246 -7.939 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 -0.195 -1.994 -3.135 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 6.082 -17.552 -9.823 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 2.699 -10.436 -8.705 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 -2.992 4.099 -3.086 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 7.530 23.790 -6.944 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 22.882 21.392 0.526 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 1.057 2.658 4.303 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 -5.355 2.358 6.342 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 1.499 3.411 7.053 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 -1.840 1.288 -0.077 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 -9.411 -18.075 -7.853 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -22.759 21.417 -10.538 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 -7.197 0.465 6.127 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 -8.831 2.301 -5.939 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 4.672 -15.658 22.878 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 -1.960 -3.147 4.129 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 2.391 27.406 7.565 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 10.527 16.131 27.491 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 -3.250 -1.452 5.354 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 -20.805 3.257 -2.957 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 -5.065 -1.641 -2.262 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 -6.841 0.888 -4.193 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 -11.671 12.230 5.426 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 -13.171 4.259 -18.211 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 -4.437 2.635 -7.852 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 -8.240 -2.638 0.712 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 12.128 4.207 -8.854 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 -5.799 5.314 -2.932 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 -26.688 -5.669 -5.496 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 1.477 -1.276 19.150 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 1.095 5.542 -0.842 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 -4.209 13.584 -0.610 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 23.076 4.587 -16.483 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 -2.619 -4.870 0.335 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 -3.082 -3.737 1.679 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 -1.990 -4.734 -2.333 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 2.691 2.002 1.203 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 -1.834 4.678 -3.661 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 -2.799 7.580 -3.206 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 -2.622 -1.867 -2.475 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 -8.726 -5.462 -0.408 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 13.496 -26.301 8.218 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 -1.691 -8.754 -0.021 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 12.403 -23.179 17.121 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 11.818 -23.219 16.500 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 -1.466 -4.599 2.474 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 -13.941 4.618 6.307 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 -2.919 -7.377 14.670 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 -0.759 -3.229 1.888 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 -13.455 -4.108 17.350 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 8.109 -3.559 -6.964 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 5.251 -7.407 -0.822 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 15.262 -1.780 -5.092 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 6.589 -5.461 12.072 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 -4.977 1.733 1.475 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 -10.827 2.779 -3.775 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 -11.924 -50.965 2.917 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 -7.201 4.232 10.652 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 17.725 -4.792 26.424 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 -10.684 -1.714 -21.827 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 -5.079 0.858 2.462 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 0.100 -9.967 -14.173 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 4.103 -8.683 -24.147 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 3.843 1.423 -0.893 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 9.058 -26.605 -5.131 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 -18.231 4.457 41.569 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 -7.079 -1.548 -5.690 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 -2.883 10.921 16.619 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 -7.352 -9.215 -8.463 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 -1.963 3.110 6.945 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 11.127 5.847 2.005 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 -9.093 15.225 3.403 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 3.502 4.500 -7.858 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 4.812 7.080 -6.764 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 -11.380 -6.792 2.086 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 2.950 0.901 7.126 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 0.064 -16.856 11.210 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 2.375 15.128 -3.267 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 -0.180 2.181 -2.675 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 10.223 10.298 3.124 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 5.301 22.402 -10.757 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 -2.354 0.740 2.016 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 -12.533 3.475 -5.553 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 4.068 -1.812 4.574 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 1.496 -3.183 -2.711 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 -7.812 9.855 -7.029 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 -9.906 -12.197 12.936 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 0.777 -2.869 -3.236 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 -0.629 -1.453 3.886 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 8.258 1.117 -3.858 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 -11.527 6.759 -5.162 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 -0.061 -11.561 -6.295 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 -9.016 14.690 6.796 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 -3.909 -0.741 -1.529 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 0.229 -7.365 25.432 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 -7.975 9.510 -19.683 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 -5.767 -0.144 -7.949 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 -7.675 9.375 -2.916 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 12.402 15.713 -16.858 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 -2.375 2.394 1.554 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 13.783 6.351 2.028 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 -11.108 -4.530 1.751 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 7.486 -4.289 -0.060 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 4.043 2.376 1.390 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 5.579 1.307 -1.940 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 0.882 -1.265 -3.406 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 -5.514 8.454 -0.497 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 -3.215 -4.555 -8.453 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 -0.059 -5.118 0.050 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 13.378 17.402 -6.072 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 2.955 -22.991 23.240 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 -1.140 0.476 0.794 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 15.425 -5.555 8.429 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 -15.894 -12.551 -9.698 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 -6.866 -5.312 -2.011 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 -14.277 1.804 -12.371 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 -8.833 2.947 -4.871 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 -5.243 0.567 2.161 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 -14.494 8.420 -10.599 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 -5.579 -23.117 -2.775 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 -5.043 -5.279 1.072 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 -7.309 -3.041 -18.279 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 -9.411 -4.501 23.216 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 -6.134 -1.612 -1.337 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 8.858 15.630 7.298 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 -7.689 -10.546 -1.422 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 2.050 1.393 -11.729 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 -5.971 -9.065 0.066 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 -0.548 4.035 1.071 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 -3.388 2.819 5.141 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 -3.637 13.381 1.515 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 -5.612 -4.170 6.297 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 -7.710 2.393 1.165 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 -0.261 1.361 -4.384 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 -1.905 3.775 -5.689 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 -1.590 -1.080 4.970 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 0.062 -10.927 -7.305 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 -0.992 -4.259 -1.942 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 -3.267 0.798 1.437 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 -12.901 -1.751 -11.892 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 -10.397 -3.167 4.111 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 -0.001 0.959 4.396 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 -1.591 2.423 2.788 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 5.018 5.290 3.401 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 -1.037 3.466 -5.060 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 29.079 -0.071 -20.556 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 12.685 -4.287 -9.107 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 2.289 4.369 3.243 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 -7.089 13.049 18.198 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 -7.898 -9.959 0.021 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 -0.992 2.906 3.286 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 -5.163 5.559 16.779 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 3.620 -7.922 -33.357 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 -1.106 0.394 -1.830 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 7.779 -11.310 -4.063 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 0.694 3.628 10.818 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 0.557 2.876 -5.060 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 18.831 2.649 -6.062 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 2.916 -9.442 3.713 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 -5.610 4.339 4.705 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 0.485 -6.519 -1.218 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 1.811 -1.315 -0.108 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 6.452 -0.237 0.282 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 4.238 5.400 -11.820 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 19.809 0.394 1.245 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 4.708 2.158 -10.157 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 -5.728 -2.387 -13.636 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 16.743 6.646 -13.406 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 3.263 -3.942 -4.493 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 -24.568 12.748 4.272 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 -2.251 9.141 -8.277 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 0.486 0.416 0.744 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 14.292 -6.071 -7.990 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 -7.500 11.312 -7.388 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 -0.348 2.124 -4.771 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 -1.433 0.608 -11.388 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 -5.818 8.314 -1.069 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 1.073 4.361 0.353 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 -2.593 -16.037 19.798 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 -5.619 33.092 6.014 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 3.231 -0.364 -1.376 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 7.977 12.458 -7.272 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 9.899 12.949 -3.729 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 1.042 -4.623 -2.777 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 0.269 16.561 -6.531 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 -2.304 1.912 -18.949 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 -1.781 -3.492 3.869 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 -11.800 -6.064 -0.824 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 8.724 -1.095 9.657 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 3.364 1.145 -4.911 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 7.862 3.771 -16.927 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 16.212 -14.547 -15.091 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 -3.558 -0.889 -1.512 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 -5.578 20.040 20.877 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 -5.019 -7.251 4.372 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 1.653 -3.299 -0.079 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 -3.681 -8.367 -10.629 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 4.042 -20.403 14.045 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 -1.029 -2.352 5.220 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 -8.772 -6.890 -0.639 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 41.338 11.812 6.598 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 0.956 3.711 7.368 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 -0.618 9.879 12.132 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 10.674 3.272 7.858 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 -3.609 4.097 2.113 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 -6.120 -4.476 -0.116 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 4.676 6.279 -4.129 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 0.177 -0.331 -0.144 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 -7.049 3.682 -7.656 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 4.990 28.735 15.396 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 4.419 -2.591 3.548 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 3.645 1.333 -7.538 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 0.652 4.559 -3.806 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 1.726 1.410 -6.347 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 7.751 -5.800 -8.242 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 2.767 6.417 6.154 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 1.797 -10.194 -1.019 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 -9.501 -1.276 -0.630 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 1.273 -25.186 -18.377 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 7.953 0.143 6.389 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 3.551 -5.766 3.258 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 -7.925 -7.944 31.564 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 4.356 0.362 -1.520 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 5.306 -5.839 2.355 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 -0.509 2.888 0.147 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 -1.208 -2.617 7.089 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 7.519 -27.617 16.132 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 -18.706 11.851 -6.203 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 -0.530 -1.989 -4.452 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 -10.625 6.033 -3.759 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 -1.430 -2.438 -14.725 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 1.630 1.008 4.366 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 29.426 -7.811 6.954 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 -37.061 -4.421 -6.785 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 2.131 -4.843 2.739 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 0.658 1.512 -15.731 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 7.544 -13.405 16.287 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 3.078 -3.796 1.233 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 6.725 8.571 -1.322 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 12.586 -16.714 30.796 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 -2.632 1.887 5.454 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 -3.708 5.325 -15.933 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 -8.131 4.453 -9.265 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 -3.794 -2.283 1.848 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 -0.291 -5.337 17.800 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 -9.607 -0.223 15.717 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 2.886 3.836 0.009 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 4.072 -15.378 -3.487 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 -14.515 -4.819 7.284 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 -1.108 1.017 0.998 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 -5.933 9.158 8.959 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 2.506 4.822 -5.655 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 5.535 6.225 3.627 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 4.821 11.370 -17.389 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 3.239 26.724 5.583 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 4.366 3.965 -4.710 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 -15.035 -17.296 2.238 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 23.040 15.305 -2.173 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 -1.302 -9.470 -6.288 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 6.050 -0.024 3.790 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 4.089 4.184 -7.626 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 2.308 1.188 1.486 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 9.735 11.322 11.427 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 8.442 15.251 8.455 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 1.546 -3.630 -2.609 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 -0.178 -9.380 -3.100 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 5.292 1.591 -3.158 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 0.163 3.947 6.428 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 -2.414 -12.590 -14.023 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 -1.406 -5.722 -5.555 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 1.682 -2.814 -9.798 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 -1.863 -21.348 -16.150 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 35.956 -8.177 12.348 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 -2.912 -5.022 1.756 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 9.448 4.972 13.362 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 3.037 2.426 -12.029 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 -1.173 -1.750 -0.918 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 -16.752 2.276 -14.024 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 5.202 -19.439 -5.563 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 -0.937 -2.690 2.822 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 8.349 -4.525 -17.410 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 -9.179 2.852 8.099 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 -1.360 -9.850 2.363 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 -2.356 -3.175 -3.837 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 10.124 -3.840 8.599 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 0.379 -0.295 -9.129 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 4.377 -15.097 -5.710 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 -26.676 4.836 -9.593 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 1.387 -0.709 -0.684 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 -18.280 -15.488 -15.186 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 -1.329 6.611 -2.984 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 5.603 0.867 -2.929 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 -19.321 7.265 -4.370 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 -17.750 5.221 -5.374 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 4.086 1.623 2.516 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 5.482 -2.808 2.554 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 8.498 10.780 -5.337 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 8.552 -1.585 -0.482 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 -1.479 -5.811 23.429 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 13.804 -13.479 32.688 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 0.654 -0.946 -3.748 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 4.483 5.038 14.210 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 5.339 14.558 -14.064 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 -2.167 7.033 -6.229 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 -9.733 -2.377 -11.605 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 -2.064 4.305 7.626 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 -0.464 2.916 -3.525 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 -23.767 5.786 -20.263 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 7.773 0.991 2.443 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 5.661 -0.027 -2.420 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 -10.505 0.758 -6.304 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 -5.802 13.169 -4.286 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 1.431 2.909 3.960 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 2.869 -4.739 8.908 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 14.487 3.461 6.220 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 2.447 0.074 -1.902 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 -11.365 1.818 11.199 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 -5.806 -11.611 12.147 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 -3.666 -5.594 4.615 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 -19.132 2.492 13.063 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 10.553 -8.221 2.880 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 8.746 1.615 -2.400 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 3.397 -4.193 11.141 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 32.949 16.163 8.141 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 0.324 4.236 -2.351 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 -10.919 -5.318 -12.385 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 13.894 -10.343 2.947 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 3.975 1.127 4.231 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 13.763 -0.682 7.576 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 22.764 6.180 6.773 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 -0.054 1.531 8.329 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 -1.421 23.177 14.077 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 -11.521 -16.153 -0.197 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 3.112 -1.615 -2.703 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 19.558 -0.642 -4.485 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 3.703 10.718 -4.884 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 8.848 -4.866 -4.962 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 6.042 -1.056 11.100 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 1.726 2.373 -23.403 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 1.948 -0.312 3.053 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 -1.030 -19.992 -7.572 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 20.089 -25.832 -15.250 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 -5.314 9.561 -3.049 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 -2.283 2.406 -0.038 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 -9.510 10.445 -4.136 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 3.947 1.261 -4.151 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 8.970 0.431 -12.294 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 29.784 -31.825 -4.085 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 10.185 3.842 4.812 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 15.390 -3.397 26.153 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 -18.123 4.791 -4.258 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 -2.609 3.392 -7.021 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 -13.138 -7.275 4.055 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 -8.879 -8.326 1.649 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 -0.585 -4.704 5.319 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 -25.129 -1.501 -0.186 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 15.961 10.704 -3.424 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 2.608 4.196 -1.489 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 -13.888 -15.785 3.768 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 -11.915 10.003 5.954 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 -5.548 6.460 4.974 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 -1.277 7.759 -3.159 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 -3.181 11.131 8.241 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 5.026 -1.728 3.168 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 22.513 -19.765 5.195 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 -11.228 26.581 0.597 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 -2.204 -0.527 6.491 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 -5.741 32.343 -31.665 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 -3.152 10.542 -6.389 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 1.400 -1.458 1.345 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 7.543 -1.410 12.891 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 -0.718 -15.759 -1.350 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 -0.336 3.385 -6.545 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 -8.358 -12.446 -10.899 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 -10.519 4.426 -9.511 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 -0.814 0.619 1.494 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 -14.061 -6.135 17.484 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 -5.824 9.782 -7.093 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 -7.833 -0.508 3.637 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 1.411 3.102 7.695 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 3.207 -1.708 13.219 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 -4.639 1.958 2.925 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 -2.271 -6.699 -15.914 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 17.882 6.735 -2.146 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 -2.312 -0.172 -2.888 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 -4.533 1.854 -3.859 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 12.397 -18.370 14.314 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 -3.246 -1.338 0.953 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 24.537 -1.887 -5.257 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 1.892 -8.585 15.663 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 0.320 -5.372 7.599 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 -7.294 -9.633 4.988 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 8.267 -10.105 2.572 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 3.400 2.782 0.444 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 2.154 3.569 -5.944 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 2.424 6.025 -2.608 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 -5.970 -0.214 -2.376 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 -9.673 17.711 -12.555 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 -3.824 -12.583 -0.881 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 5.905 -1.894 7.649 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 13.509 -0.880 6.990 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 10.265 -4.940 4.380 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 4.615 3.567 8.544 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 4.608 28.761 -5.078 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 -12.069 -15.135 11.685 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 -1.098 -1.672 -4.793 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 20.612 1.772 -9.758 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 15.739 -30.683 -1.129 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 -1.118 -5.075 1.077 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 5.889 3.449 -5.147 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 -3.687 -4.285 -3.696 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 -10.935 3.013 -5.258 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 21.829 -18.197 -8.916 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 -8.268 25.539 1.418 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 4.186 -5.230 1.706 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 -3.330 1.344 6.911 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 11.430 -6.625 8.950 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 -4.067 -6.430 -0.707 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 4.525 -0.912 -7.167 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 -2.154 -3.544 9.344 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 -2.316 2.471 -4.776 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 1.496 17.087 13.430 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 -13.792 13.432 -24.137 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 -2.105 1.859 5.114 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 -6.595 -0.610 6.629 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 14.800 14.347 9.126 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 4.912 3.842 0.372 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 1.573 18.791 -3.513 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 5.812 -9.460 1.076 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 0.238 6.217 1.817 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 3.452 9.882 8.753 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 4.686 12.213 15.040 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 1.859 4.989 1.252 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 -0.106 -6.066 9.967 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 1.484 3.216 -19.534 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 1.183 5.817 -2.801 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 -3.856 -22.806 -6.489 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 12.938 16.714 -20.000 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 0.890 4.162 -0.644 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 2.231 -2.124 10.419 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 -0.070 9.709 -2.342 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 0.447 -7.092 4.022 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 -7.265 10.866 41.468 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 14.547 -6.638 -29.126 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 1.265 -3.794 -2.316 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 14.356 9.691 -2.344 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 0.537 -9.753 -20.141 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 0.885 1.325 1.678 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 25.522 8.514 -3.530 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 -7.430 13.041 -24.257 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 -1.182 1.999 -0.424 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 3.743 -1.392 -9.872 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 -6.283 -6.844 4.276 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 1.477 3.634 -1.322 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 16.396 -1.177 15.398 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 0.799 3.609 -14.129 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 0.224 -0.708 -1.685 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 0.842 -11.411 15.079 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 -2.323 -13.737 -15.341 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 -5.451 -3.162 8.511 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 0.129 -10.360 20.931 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 3.474 11.450 -4.401 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 1.896 -0.490 2.717 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 7.131 1.578 16.109 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 3.180 -8.058 10.586 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 1.890 -3.548 -0.449 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 5.915 9.795 4.245 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 -15.218 -10.318 6.349 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 -0.593 7.372 -8.837 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 23.658 -6.447 -21.711 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 -1.916 1.650 -5.686 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 -2.122 -8.426 -4.614 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 -13.521 -26.153 -12.769 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 9.054 -4.912 0.153 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 -1.703 1.788 0.176 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 -10.323 -8.185 -7.749 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 -9.295 3.820 -3.233 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 0.144 -1.984 0.723 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 -2.463 -6.369 6.292 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 8.920 3.074 11.727 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 -4.306 -5.441 1.161 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 -0.804 -8.560 7.188 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 -0.037 -6.776 -3.875 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 2.282 -5.658 3.927 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 6.480 -14.918 -9.208 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 -5.706 4.068 -2.466 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 -2.518 0.909 5.596 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 -28.495 -16.001 9.550 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 -7.497 16.024 4.517 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 -3.702 -0.260 0.952 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 19.941 -3.187 9.544 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 4.087 1.637 -11.774 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 2.675 0.837 0.813 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 3.498 0.959 1.907 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 2.489 7.359 -12.963 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 1.591 1.113 -5.581 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 10.009 0.929 11.705 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 5.568 19.322 -11.694 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 -1.466 1.371 5.519 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 -16.134 32.392 -22.568 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 -6.506 -7.275 -1.025 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 3.031 -2.959 2.518 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 0.319 1.036 0.574 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 5.893 8.075 15.992 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 4.891 -0.521 -10.512 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 -6.820 0.460 -18.402 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 -4.521 1.995 1.432 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 3.546 1.605 -0.493 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 -19.559 1.993 10.714 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 6.657 -11.122 5.746 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 -3.317 -4.716 -0.879 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 -17.423 -0.724 10.730 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 4.890 -10.818 -13.703 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 -3.160 -0.655 -0.354 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 19.111 26.536 -27.732 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 -1.484 7.982 19.506 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 -1.499 1.336 1.716 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 -2.898 -9.975 -12.064 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 0.423 -0.544 6.857 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 -5.149 -5.419 -1.837 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 -3.841 24.404 -0.383 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 2.435 7.459 13.210 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 3.107 -2.928 1.932 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 4.115 2.860 -1.088 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 10.237 -7.384 -0.314 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 -2.326 -2.267 -1.542 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 11.331 3.877 -9.783 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 -4.931 -8.577 -8.821 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 -1.301 6.256 2.330 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 -2.767 -16.200 32.788 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 8.875 -13.439 -1.982 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 -1.347 -3.180 2.767 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 -6.655 5.544 20.010 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 3.013 -6.237 -17.261 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 5.362 0.996 -1.106 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 1.924 -10.856 3.755 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 -13.485 -14.020 -1.736 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 -2.039 -3.055 -7.536 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 8.926 5.064 -8.083 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 -13.819 4.755 -3.652 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 2.497 3.406 5.443 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 -5.071 -0.847 7.724 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 7.449 -0.991 -1.473 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 -1.956 5.381 -3.160 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 -18.268 -14.675 29.680 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 15.042 9.141 -10.402 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 -3.362 -4.093 -12.404 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 -5.265 0.428 -23.898 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 -21.822 2.608 2.665 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 0.907 -8.392 1.063 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 6.810 2.945 16.470 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 9.802 -26.337 -3.927 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 4.717 -0.721 -0.980 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 14.754 -12.923 7.895 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -3.938 18.241 6.488 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 -1.084 0.812 1.555 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 -0.340 7.618 -11.125 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 -13.467 -14.727 3.907 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 4.097 -0.705 2.971 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 -10.928 12.145 -4.086 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 1.710 -7.188 -2.840 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 -3.348 2.260 3.157 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 -2.712 3.406 -1.813 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 1.376 4.855 5.421 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 -2.028 -6.079 5.066 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 -10.106 0.059 7.402 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 -1.452 -9.314 2.887 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 3.318 3.333 2.665 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 -15.135 4.094 -11.830 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 15.886 -1.250 4.753 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 -2.397 -10.610 -1.007 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 -9.153 -24.218 5.075 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 12.340 28.633 -8.550 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 9.775 -4.483 1.953 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 1.709 1.333 19.616 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 -1.782 7.980 -12.808 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 -1.612 2.119 -0.512 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -4.208 16.034 -0.656 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 -1.122 -2.314 13.735 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 5.008 -0.611 0.297 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 1.088 -5.391 4.550 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 1.594 -6.707 6.139 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 3.253 5.238 0.247 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 -4.339 -3.201 -5.414 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 -5.942 -0.189 -0.842 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 2.522 8.388 9.277 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 -3.282 17.232 14.860 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 8.149 2.078 -12.232 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 -1.144 -4.861 2.855 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 8.694 -14.003 -3.593 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 7.629 -9.689 5.707 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 -2.394 1.671 0.776 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 7.614 -2.793 12.767 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 -10.042 4.642 4.394 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 2.078 -1.695 -0.532 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 3.095 20.277 -23.984 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 4.777 10.436 -14.233 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 1.148 -4.740 -4.928 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 -3.847 -6.451 -5.176 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 4.848 0.515 -6.115 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 6.500 2.261 -2.704 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 30.656 16.031 10.123 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 3.384 15.229 -10.336 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 2.284 6.607 -2.082 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 1.339 0.254 -8.879 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 2.690 6.704 -1.429 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 -3.444 -6.262 -3.372 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 8.334 -9.319 -11.191 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 0.049 -0.416 18.376 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 -3.885 3.000 -0.502 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 -6.240 -6.896 -5.366 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 1.537 5.277 -0.037 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 1.652 -2.019 -7.052 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 5.023 11.349 14.209 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 -19.141 -1.868 -6.810 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 -5.365 1.790 -5.061 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 -9.317 7.382 10.840 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 -14.992 14.541 10.982 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 0.456 -2.688 4.331 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 -14.373 -8.506 0.234 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 13.411 -2.818 6.169 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 -1.911 -1.124 -3.220 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 3.618 12.402 7.827 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 2.171 12.222 -3.062 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 -5.711 0.284 3.788 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 13.233 -39.229 -30.244 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 6.338 -1.018 -6.876 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 4.585 -1.728 1.980 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 17.256 -19.017 -1.089 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 -11.119 6.756 19.742 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 7.789 -2.839 1.286 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 19.972 -3.485 -11.414 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 -4.358 24.196 18.809 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 -3.103 -5.574 2.810 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 6.278 2.506 9.200 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 -19.347 -19.867 -13.381 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 3.232 8.222 3.430 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 -2.125 -2.370 -32.041 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 -6.017 20.038 -16.888 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 1.894 -1.193 -3.020 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 -2.517 1.207 -1.033 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 0.903 -16.992 -9.556 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 3.931 -0.881 3.273 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 -6.717 6.407 0.955 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 -11.923 8.037 4.172 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 10.050 -1.501 1.336 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 -5.903 -7.059 -10.299 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 12.157 -16.203 13.381 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 1.390 0.574 -0.748 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 -19.938 -28.516 -0.240 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 3.098 -6.657 -7.722 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 6.939 -4.137 -2.869 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 -20.233 -3.910 -3.628 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 -1.980 7.415 9.093 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 2.064 -2.381 -2.906 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 -21.733 12.551 11.781 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 -10.715 9.066 -4.607 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 8.246 1.375 0.189 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 -4.161 -16.214 14.504 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 19.101 -4.327 2.289 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 -5.439 4.934 -0.546 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 -9.400 11.211 -0.111 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 1.152 -4.660 -0.648 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 2.685 -4.015 2.401 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 -3.004 -1.368 34.107 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 8.402 -9.342 -13.272 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 -0.818 0.806 -4.004 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 -9.897 -23.444 22.333 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 -7.541 8.758 -11.944 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 2.456 3.508 2.521 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 0.092 7.776 -3.250 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 -8.153 2.505 3.575 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 0.879 -4.449 0.510 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 6.489 -3.272 -12.088 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 7.448 2.898 0.422 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 4.216 -7.387 -4.473 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 8.556 -6.885 -4.699 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 -17.908 5.650 5.406 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 2.905 -5.552 4.772 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 6.290 2.339 4.476 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 13.252 -23.086 -24.399 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 5.147 -4.597 -3.593 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 6.252 -4.389 -5.591 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 2.214 -22.693 8.019 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 -2.520 -5.547 0.096 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 -3.293 -5.941 3.775 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 -6.223 -4.407 -2.435 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 2.640 6.401 -0.638 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -20.459 33.456 -17.294 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 16.328 -12.345 8.778 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 -5.319 0.044 1.311 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 3.673 -6.894 -14.975 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 -12.395 7.029 12.804 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 -4.208 -1.512 -4.450 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 -3.366 15.036 -7.108 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 8.280 -15.212 -4.730 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 -2.067 -1.605 0.533 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 -9.009 23.696 12.348 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 -5.381 -0.830 -15.988 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 -0.218 -1.557 0.599 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 -1.558 -11.294 -19.059 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 12.193 -1.349 16.503 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 0.331 2.212 0.038 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 6.974 4.413 -0.627 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 15.357 -2.065 -10.017 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 1.869 -3.549 6.588 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 2.131 3.113 7.188 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 3.759 -20.734 7.278 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 2.482 4.611 2.063 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 -2.844 0.839 2.975 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 20.665 9.580 3.253 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 -3.014 -3.846 1.102 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 -12.628 -14.012 7.067 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 -9.727 -9.283 2.899 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 -5.792 4.857 0.326 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 6.053 11.300 23.548 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 11.107 11.164 23.046 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 1.741 -5.287 -5.033 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 13.028 7.487 1.313 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 1.015 -7.803 -4.149 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 -3.001 -3.953 -3.954 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 -3.381 -6.096 -1.268 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 7.950 -1.174 -16.004 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 5.120 -2.268 1.081 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 20.081 -12.008 3.777 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 12.245 19.579 -1.111 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 -1.107 -1.527 -2.445 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 -2.018 -15.659 7.008 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 0.194 1.552 -17.907 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 3.841 6.035 -2.499 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 7.038 -43.849 7.165 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 5.173 5.962 -1.745 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 -2.518 2.816 2.923 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 9.495 -3.309 1.670 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 -3.815 5.036 -10.784 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 -1.547 0.983 1.949 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 -11.810 -7.250 -8.887 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 -8.581 -16.110 16.991 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 3.097 -6.425 0.320 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 -10.102 -2.284 8.945 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 11.197 -3.942 -4.537 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 7.142 -1.030 3.282 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 0.676 -5.745 -10.618 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 17.569 17.352 1.525 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 -1.290 -2.062 4.314 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 -5.382 2.054 0.072 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 -5.201 -4.535 -31.408 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 2.974 0.799 -6.668 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 -0.979 12.551 0.499 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 -12.003 -11.268 -9.036 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 -1.948 3.008 -0.308 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 -7.834 8.378 9.906 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 20.424 3.583 2.419 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 0.487 3.666 3.484 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 -27.763 7.653 11.168 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 10.281 4.034 3.022 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 4.996 3.267 -5.916 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 1.561 -10.012 1.409 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 -0.260 -4.721 -18.782 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 -2.594 -2.825 -7.340 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 -17.632 11.732 -4.301 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 -10.273 6.946 -4.731 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 0.135 -0.484 -1.254 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 -25.742 -0.371 5.311 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 25.738 -9.081 -12.275 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 1.398 -1.732 6.625 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 4.162 6.558 0.376 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 9.879 5.326 -4.809 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 4.645 -3.562 1.624 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 9.610 1.181 18.537 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 18.647 2.023 -8.522 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 -2.116 2.882 -6.772 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 -4.563 10.191 -3.797 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 -4.503 -1.808 2.316 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 -3.704 -4.759 -1.281 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 -13.874 -4.561 -2.502 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 -32.808 -34.714 -14.100 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 -0.467 0.063 3.192 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 5.332 2.486 10.332 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 3.232 -0.354 0.486 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 -2.276 2.983 3.061 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 -9.660 -6.806 -13.507 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 -5.093 -0.749 -0.144 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 -0.310 -1.447 0.247 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 -3.901 2.894 -5.490 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 1.496 -2.428 0.403 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 -1.680 2.473 0.014 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 3.044 9.253 7.620 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 -13.703 -0.924 5.672 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 1.448 3.590 -4.358 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 -7.223 0.167 -6.205 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 3.484 4.312 -9.969 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 6.869 0.535 -7.481 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 7.567 10.867 16.304 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 -15.582 -5.409 5.293 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 2.205 5.227 0.159 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 12.684 -6.098 16.255 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 1.001 -6.746 2.638 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 -4.245 1.094 -2.354 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 3.468 18.943 2.882 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 2.663 9.247 -14.518 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 7.270 -2.280 2.301 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 2.854 4.173 4.322 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 -4.585 17.976 24.830 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 -0.062 -8.420 -8.603 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 -18.719 9.174 6.216 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 -7.029 -1.405 -7.021 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 -3.945 -2.157 -2.576 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 2.337 -14.952 8.929 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 5.497 16.779 4.736 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 -0.427 -0.124 -1.007 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 -3.029 -9.653 -1.254 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 -2.285 -4.788 -13.612 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 2.513 -3.775 6.666 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 -0.504 6.938 1.615 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 3.686 10.081 -1.095 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 -3.965 -7.338 -2.844 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 8.232 21.311 -2.912 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 -3.540 2.128 3.754 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 1.534 -3.432 -3.905 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 -0.360 10.206 -8.500 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 9.956 -3.795 -3.432 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 0.640 3.332 -1.693 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 6.097 -6.736 -16.339 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 -27.989 -33.386 -17.432 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 -0.258 -4.026 0.753 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 0.884 2.122 -2.627 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 -1.365 0.519 1.914 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 3.823 -2.256 -0.760 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 2.770 -2.296 -0.243 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 3.138 -3.075 -1.730 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 -5.605 7.216 -3.842 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 -22.591 21.070 -10.548 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 14.183 -5.012 0.892 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 2.890 -3.981 -5.025 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 -14.325 -19.840 -10.906 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 11.544 -12.146 15.276 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 3.294 0.412 -3.171 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 -6.694 16.292 21.163 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 -3.882 16.818 22.433 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 -4.736 -1.560 -0.899 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 -14.050 25.963 8.679 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 28.546 6.958 5.202 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 -5.011 -0.632 0.954 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 -8.019 -5.247 -2.891 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -7.016 -8.142 -1.836 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 -3.639 5.867 5.281 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 -28.061 -1.238 11.035 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 -5.645 -36.542 -30.379 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 -5.817 4.181 -3.672 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 -25.661 16.675 -12.517 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 -18.653 0.820 -5.152 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 3.227 0.916 4.011 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 5.084 1.098 -3.319 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 3.929 2.147 5.918 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 0.960 -2.040 -3.702 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 -26.395 21.844 -0.782 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 5.887 -7.335 0.161 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 1.991 4.316 -6.450 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 14.699 7.760 -13.160 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 -8.443 13.437 -11.847 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 -0.676 -0.512 3.183 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 -4.797 -3.652 6.757 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 4.065 2.695 2.347 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 1.845 5.702 0.517 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 5.928 -2.697 15.075 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 16.159 -20.924 19.614 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 0.189 2.924 0.091 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 -8.427 4.477 -10.835 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 -0.508 -10.423 1.566 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 1.533 -3.362 -1.363 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 23.026 12.777 2.169 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 10.641 4.987 1.298 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -0.873 -8.493 -1.206 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 -5.134 4.537 17.923 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 -15.087 4.664 4.723 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 2.339 1.671 2.594 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 12.291 -6.355 2.456 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 -8.916 7.461 -8.266 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 4.676 0.186 1.298 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 1.314 -1.607 -1.841 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 -6.806 4.799 -16.261 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 0.113 3.620 -0.374 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 11.496 -2.109 -9.307 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 7.475 8.434 13.213 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 1.367 -5.959 -1.380 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 4.020 -6.493 -0.280 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 -3.661 -4.084 -6.176 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 0.441 3.422 -4.751 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 -2.457 4.629 -2.984 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 -7.651 3.281 -12.960 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 0.961 1.191 -0.675 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 -6.700 19.832 22.252 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 -2.026 19.338 -6.346 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 6.638 5.138 -1.925 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 12.014 8.340 -12.737 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 11.750 -10.939 8.168 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 9.104 -3.049 5.803 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 -0.534 9.932 9.960 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 17.896 -16.888 2.687 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 8.375 -2.277 -3.372 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 -1.354 -7.965 -2.806 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 -10.945 -9.536 0.720 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 3.387 0.567 1.802 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 3.821 12.378 8.173 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 5.153 0.002 2.463 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 -2.924 0.244 -6.048 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 -3.658 -1.555 -17.990 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 -8.535 6.491 -2.590 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 -3.258 -6.315 0.978 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 -19.404 5.398 3.647 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 -3.310 -12.782 16.651 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 1.709 -3.468 1.712 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 -1.052 12.936 6.191 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 -4.065 -4.583 -7.791 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 -5.814 4.717 -2.410 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 -13.049 12.299 14.079 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 -1.691 -3.345 -13.446 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 1.377 -9.549 1.942 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 -25.473 17.807 24.137 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 12.829 -12.198 2.225 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 0.304 7.960 0.620 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 13.794 6.012 19.248 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 2.714 10.669 1.351 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 -6.262 -0.794 -4.041 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 3.957 -13.908 -4.322 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 -9.669 -19.890 -14.787 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 -6.316 1.183 7.165 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 -11.700 -16.117 -6.644 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 -20.601 -20.586 -7.719 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 -1.201 5.098 2.651 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 6.019 -3.113 13.460 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 -9.373 -4.324 -2.568 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 -2.978 -3.783 -2.499 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 -1.982 -3.193 -28.774 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 -9.333 -3.200 -23.919 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 -1.153 0.532 1.062 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 6.318 -16.726 26.091 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 6.823 -5.775 17.822 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 1.095 -2.417 -2.374 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 -6.954 -1.562 -4.373 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 18.118 -3.757 0.770 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 3.706 -3.917 0.905 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 1.468 6.338 15.287 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 -3.402 15.142 -2.196 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 5.176 -1.369 3.572 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 -8.808 -2.765 -7.384 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 -6.526 -2.232 -6.053 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 -5.898 -2.056 -4.333 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 -4.134 11.332 -27.277 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 -7.654 -9.237 -0.449 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 4.131 -1.483 4.638 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 7.763 0.166 -5.949 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 -5.426 -2.005 -1.467 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 -1.407 -4.796 5.046 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 2.322 12.864 0.219 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 6.866 -1.720 -3.214 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 -0.131 -1.153 2.620 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 -19.973 -10.174 -12.198 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 23.310 -28.671 8.775 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 7.629 2.909 0.667 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 1.175 3.906 9.660 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 -8.301 -9.802 8.676 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 -3.654 -2.629 -2.858 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 3.505 -2.672 -0.465 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 -9.141 10.802 0.926 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 3.512 1.604 -10.919 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 15.435 -12.119 -14.469 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 8.946 -19.678 -9.195 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 5.044 3.203 -2.266 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 -19.919 12.535 10.030 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 -4.230 5.239 1.736 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 1.641 -2.325 -8.293 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 7.989 1.949 -20.335 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 11.505 -11.529 2.495 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 -6.290 1.621 -5.364 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 2.706 0.323 -3.984 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 7.077 13.734 19.661 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 3.284 0.992 -7.883 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 23.282 -11.368 -2.289 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 8.955 -3.955 2.733 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 -5.668 -3.648 -3.722 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 -8.472 2.092 -8.687 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 0.074 -13.239 6.398 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 -4.562 2.644 1.871 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 -1.658 17.936 1.269 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 3.509 -4.566 29.193 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 -2.832 -0.764 13.088 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 15.500 4.469 8.293 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 -5.501 22.768 13.414 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 1.843 -0.393 -6.375 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 -14.438 -3.120 6.563 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 -9.906 -10.566 12.239 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 -3.217 1.106 8.231 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 -14.299 10.468 -3.601 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 9.299 0.533 7.442 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 0.543 3.461 0.014 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 -13.561 -4.019 12.110 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 -6.684 35.566 6.337 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 3.224 1.903 -4.651 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 2.824 4.516 -9.113 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 -35.209 -14.898 -0.661 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 2.279 3.262 -8.311 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 -28.302 13.752 -8.116 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 -6.151 39.237 -0.478 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 3.158 -3.897 9.130 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 -3.771 10.170 10.321 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 19.583 2.319 8.809 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 4.830 -0.322 -0.578 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 -0.520 -1.567 -4.429 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 7.362 7.535 2.604 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 -1.136 -1.503 -0.564 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 -7.633 -19.872 19.878 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 19.705 20.234 -5.820 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 1.475 -3.846 3.462 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 -25.528 -16.369 -14.972 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 17.448 -24.060 0.286 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 2.627 -3.472 3.152 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 -11.365 22.453 -15.436 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 -4.598 6.360 -26.160 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 -6.075 -4.339 -0.556 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 15.070 -3.494 10.988 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 13.945 -5.915 -7.314 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 2.967 -5.873 -3.208 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 6.189 0.791 -17.852 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 1.129 4.835 1.426 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 -1.694 -0.286 3.296 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -8.109 7.775 21.212 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 -14.095 -3.301 -10.976 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 -3.648 3.228 6.247 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 6.544 -4.642 0.852 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 6.709 14.429 15.622 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 -7.628 -5.404 3.999 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 10.160 -27.839 2.622 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 5.260 -20.631 -1.258 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -7.630 -2.259 3.404 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 -7.702 -12.505 17.747 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 -7.715 -3.541 4.870 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 2.249 0.005 3.565 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 -2.850 2.217 8.154 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 -3.554 2.421 8.912 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 5.827 -1.535 5.105 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 13.397 -3.185 0.494 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 1.411 -4.194 4.952 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 -1.653 2.131 -0.356 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 1.154 -28.799 -4.222 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 18.349 22.046 -3.747 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 2.565 2.210 -4.183 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 18.036 7.000 22.895 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 -12.566 -29.474 -0.263 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 -2.769 -2.349 -0.141 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 -0.757 10.802 0.223 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 -17.314 -5.343 -22.098 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 -1.968 -1.469 1.434 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 5.045 -1.204 1.719 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 -3.233 0.500 6.218 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 0.237 -1.937 2.415 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 -4.612 12.542 8.491 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 13.322 -6.712 -2.018 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 3.253 1.105 1.027 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 15.189 -8.478 1.300 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 10.999 13.906 10.078 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 -4.238 0.080 -7.423 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 -1.186 -6.241 -22.672 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 4.215 0.821 0.660 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 -1.998 -4.090 -1.963 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 -16.745 -8.598 -18.260 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 -3.806 17.665 -0.905 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 0.269 1.290 -4.036 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 38.401 -11.740 -20.039 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 4.700 23.023 0.140 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 -3.593 -3.294 0.111 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 -7.855 24.565 1.169 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 -5.218 12.714 -4.668 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 3.098 -8.103 2.301 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 14.828 2.035 -10.745 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 3.748 -13.535 13.426 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 7.344 1.038 -2.659 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 10.448 2.139 -3.283 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 -5.023 -4.014 4.670 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 4.581 -0.262 -5.111 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 10.004 8.912 -32.526 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 2.702 11.034 17.560 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 0.884 1.932 -0.122 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 30.694 1.548 23.013 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 -30.958 0.070 -23.557 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 0.613 -6.036 6.635 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 -7.347 -2.344 -1.416 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 -2.296 -9.356 -10.756 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 -2.362 1.944 8.517 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 7.488 -12.293 1.990 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 -17.270 25.654 -1.670 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 0.255 -1.837 -0.007 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 -8.363 -1.520 6.441 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 -18.047 -9.539 13.820 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 -0.743 -3.894 -0.412 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 12.820 -4.398 12.230 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 14.849 -9.959 -16.002 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 1.905 2.286 1.428 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 -10.718 -15.808 19.140 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 -12.366 11.278 -15.068 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 -0.190 -1.326 -2.588 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 -20.982 4.943 2.256 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 11.739 13.200 -14.993 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 -3.749 -0.630 3.450 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 -1.887 -1.739 4.293 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 -4.270 -0.969 -1.623 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 2.841 -1.497 -0.422 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 -14.156 -3.504 3.547 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 5.580 -9.983 -15.610 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 -3.802 -1.347 3.646 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 -4.778 0.133 4.311 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 13.453 0.762 22.928 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 2.717 -2.192 0.814 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 5.478 -13.357 2.317 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 -10.434 -8.318 0.786 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 3.973 -1.982 -3.980 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 -7.351 -29.209 -33.390 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 -5.727 -1.655 4.334 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 6.258 1.936 0.725 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 16.992 -4.745 -9.215 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 25.205 13.338 -4.206 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 0.591 1.128 -3.282 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 29.675 5.631 -36.858 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 1.048 1.388 -4.640 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 4.313 5.984 -1.229 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 -1.269 0.152 11.486 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 -6.076 29.719 -12.567 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 -1.997 3.909 -3.286 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 -6.296 3.257 -6.693 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 -20.611 -0.130 -10.944 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 2.179 -0.793 2.827 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 -1.944 19.512 -0.626 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 0.311 -6.088 7.894 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 5.211 -1.400 4.571 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 -5.554 -9.172 3.828 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 11.558 -4.676 10.274 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 2.863 -1.458 1.376 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 34.502 -8.179 6.135 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 -7.784 8.191 -22.290 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 -0.867 -3.442 1.945 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 -3.218 -6.897 -3.696 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 -3.384 -7.828 -0.145 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 -5.165 3.662 10.368 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 -19.989 -5.790 8.723 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 5.128 -4.268 3.260 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 -6.699 3.926 1.054 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 26.474 -6.609 -6.218 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 -12.773 0.004 -1.664 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 -3.951 -1.620 1.175 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 -4.052 5.990 -12.075 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 -13.957 6.063 8.452 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 -8.013 11.120 3.294 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 9.234 3.572 5.240 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 -8.749 3.965 -12.261 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 -6.268 -1.016 0.718 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 7.698 -16.254 1.167 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 11.442 5.216 3.203 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 6.431 -0.232 1.716 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 1.047 -3.061 4.796 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 17.615 3.205 -3.854 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 0.810 -0.862 -6.589 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 -3.481 11.298 8.005 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 -8.051 6.523 6.199 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 -2.830 4.424 -5.493 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 -7.703 -15.655 18.484 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 -16.650 20.201 15.390 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 -1.563 -9.466 3.143 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 -5.407 -6.566 0.494 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 -5.433 10.572 -20.547 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 -3.537 -1.998 -1.838 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 -10.561 -6.055 -4.517 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 -2.936 6.389 -0.526 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 -0.161 2.128 1.106 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 -6.187 -2.661 -4.320 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 -2.414 0.760 -0.424 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 3.552 5.498 -1.186 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 19.248 17.552 6.748 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 3.289 5.947 18.756 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 -1.240 3.713 -5.831 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 -12.695 -6.182 18.055 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 25.449 -2.040 -5.212 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 3.418 7.987 -0.410 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 0.406 9.891 -3.444 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 -8.679 -14.772 -9.795 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 0.886 -3.767 -1.599 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 26.744 -3.747 3.650 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 23.927 -3.959 0.548 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 6.949 5.050 -0.739 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 21.732 4.838 -13.447 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 -3.676 -7.172 -33.959 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 7.026 0.052 1.659 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 16.579 9.525 -3.146 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 3.170 -6.206 -10.017 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 10.390 6.337 -3.675 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 3.004 0.439 -27.359 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 1.282 -4.479 -14.388 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 1.714 2.574 -8.150 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 3.893 15.744 -7.513 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 0.840 12.232 -12.218 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 0.919 3.986 -7.399 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 23.962 -26.573 -15.436 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 2.220 12.469 27.105 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 1.975 -7.956 5.284 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 1.745 17.334 -6.761 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 22.040 -3.970 4.921 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 -6.368 -0.992 -4.245 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 3.291 24.093 -12.234 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 -1.131 2.854 -5.559 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 -5.385 -6.712 -2.343 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 -16.090 -1.956 -7.060 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 11.089 3.376 -4.502 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 -3.712 6.648 3.925 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 -3.932 13.746 10.261 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 -5.687 14.818 -1.478 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 0.748 0.666 -0.503 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 -0.660 8.170 1.761 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 3.863 3.598 4.428 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 -1.712 -1.232 5.015 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 -0.069 -2.668 3.543 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 9.939 -18.924 -11.978 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 -2.530 5.261 -3.078 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 -0.526 5.773 -1.189 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 0.626 2.490 -4.471 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 4.655 2.754 1.869 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 11.002 -12.947 -33.474 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -17.284 13.784 30.145 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 -5.322 -0.639 -10.375 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 -0.980 9.745 -30.397 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 -5.033 12.808 -3.228 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 0.316 6.687 1.228 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 7.442 2.822 1.231 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 13.104 -5.451 -0.234 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 3.629 -2.395 -4.923 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 1.122 -1.852 -8.518 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 6.361 -1.589 -4.424 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 -0.035 -2.305 -5.226 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 -23.416 4.892 -2.214 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 -21.182 2.860 3.430 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 0.582 -3.229 -0.766 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 1.691 1.016 11.623 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 5.862 5.390 -10.556 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 -0.538 0.326 -0.834 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 -18.495 4.782 10.281 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 -17.981 14.900 1.407 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 0.008 -1.640 -2.205 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 2.305 6.982 -11.641 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 -23.295 7.625 2.425 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 -3.321 7.088 9.457 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 -19.300 -26.587 -13.034 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 16.384 2.671 19.054 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -6.388 -1.867 -2.648 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 -13.229 -11.543 -12.684 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 -9.903 10.605 -5.646 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 2.752 6.348 4.607 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 18.228 22.702 15.940 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 -12.097 -2.204 -2.598 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 4.658 -3.509 0.778 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 6.090 -0.864 -6.674 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 3.293 -7.649 1.618 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 0.229 -3.185 3.007 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 -0.089 0.179 10.103 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 -7.370 -6.139 10.838 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 4.109 -2.033 -3.389 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 11.227 -0.535 10.897 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 0.810 -7.905 -2.548 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 -6.930 0.587 4.660 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 4.750 -12.096 12.402 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 20.511 18.146 2.926 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 0.440 -2.302 -2.907 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 19.513 -3.953 -2.907 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 -10.774 -11.836 11.045 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 4.322 -0.186 -0.298 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 0.324 -9.272 21.827 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 -6.933 -18.242 -16.269 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 1.562 2.123 -1.191 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 -15.562 1.773 18.339 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 9.456 -8.963 3.500 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 3.544 2.781 -2.294 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 -30.552 -11.359 -16.985 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 4.796 -4.613 1.710 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 -4.840 -2.921 1.145 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 -11.264 1.071 4.729 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 -9.022 -6.068 16.580 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 -2.385 -0.003 1.732 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 -10.556 -10.209 -8.157 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 -6.920 -20.628 -14.039 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 3.047 -6.709 0.918 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 -2.096 -27.748 0.888 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 9.652 23.360 -1.645 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 -1.182 0.449 0.212 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 -9.320 15.176 -9.294 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 -20.798 6.287 -29.052 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 2.075 2.163 -2.837 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 9.303 5.836 -2.176 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 1.474 -5.058 -7.018 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 3.764 0.225 -1.274 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 1.571 -1.120 -6.198 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 2.387 -1.028 -4.448 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 3.290 -0.488 -5.694 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 3.546 7.798 3.886 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 8.210 5.801 1.172 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 -2.510 -2.287 3.727 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 -2.324 5.192 5.914 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 0.648 -6.649 6.897 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 -0.959 4.127 2.917 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -2.652 10.869 -5.881 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 7.646 -7.774 25.812 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 -3.310 6.237 -0.009 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 4.270 11.245 7.690 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 3.364 7.862 1.641 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 -4.073 1.430 1.006 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 -7.805 6.388 -6.407 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 -37.425 6.718 -4.289 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 0.167 0.286 -0.217 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 6.303 -18.316 -6.254 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 6.754 10.223 -14.415 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 2.246 7.059 2.448 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 -6.599 6.958 4.821 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 20.562 9.897 -0.782 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 2.219 3.200 6.156 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 -39.487 12.806 -13.633 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 9.132 -0.532 18.850 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 6.196 0.238 5.964 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 14.596 -11.713 18.088 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 3.945 11.577 17.603 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 4.798 -3.027 -3.375 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 14.522 -8.755 -12.380 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 26.094 3.251 7.307 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 -2.268 5.268 4.381 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 -2.845 10.120 18.064 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 -7.784 11.664 -1.057 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 -2.525 4.300 -0.360 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 -9.089 -4.223 2.367 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 2.148 6.144 -2.995 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 -1.315 -3.721 -7.736 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 9.339 -4.160 0.371 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 -0.578 -4.476 -6.060 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 -3.064 -5.443 -1.985 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 -10.010 -9.021 8.984 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 8.740 27.032 -2.116 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 0.991 7.683 -2.091 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 20.305 1.717 13.724 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 -1.808 12.016 19.300 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 1.321 -1.371 4.054 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 5.421 8.091 8.467 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 9.781 -5.477 -1.593 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 -3.829 -5.040 -0.911 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 40.056 -11.369 -24.285 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 -18.537 11.252 6.639 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 3.960 2.761 -0.469 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 -21.008 9.927 -15.239 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 -10.547 12.989 -3.778 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 6.659 3.465 -0.673 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 35.047 -10.737 14.150 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 7.685 4.699 -0.869 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 -8.863 -5.002 1.115 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 -14.236 8.256 4.236 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 -18.564 -14.952 -20.469 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 3.565 -5.257 -5.077 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 -5.193 5.463 5.714 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 19.320 -5.844 -8.630 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 3.724 0.344 2.240 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 -8.449 -7.275 -15.418 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -12.622 6.448 20.922 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 2.680 1.809 2.113 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 3.886 2.149 3.362 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 -1.583 -0.146 -3.907 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 -2.444 -2.576 4.652 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 -2.686 -1.942 -11.688 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 -12.552 6.734 4.800 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 5.229 1.053 5.264 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 18.029 14.841 -18.775 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 -10.276 -19.092 -1.070 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 -0.340 -0.645 1.650 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 0.653 3.356 8.735 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 -5.120 -23.736 -22.310 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 7.640 -1.468 -4.585 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 0.004 23.414 -26.084 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 9.701 -9.159 1.199 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 3.896 2.720 -3.035 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 19.371 11.672 -4.128 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 -3.657 -6.850 -2.982 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 -3.218 -4.187 -3.205 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 -1.286 2.221 -21.714 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 -1.384 -20.909 -10.592 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 -4.531 2.658 0.022 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 -6.052 2.855 2.936 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 0.334 2.074 -1.847 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 2.636 5.343 -2.832 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 1.653 9.129 -6.420 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 10.238 -11.619 -9.234 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 -0.206 -3.225 -1.050 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 27.878 5.175 13.575 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 -7.045 -1.179 -6.553 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 -1.562 -0.731 3.130 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 -9.518 -11.809 -10.757 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 10.693 -1.188 11.816 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 4.670 1.368 -3.071 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 16.729 -5.110 3.304 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 -10.898 -5.008 16.669 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 0.521 -4.150 -0.677 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 -9.462 19.507 -16.199 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 -8.833 1.471 18.250 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 5.386 -2.335 7.521 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 10.374 8.249 7.840 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 -9.037 -0.355 12.106 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 -1.978 0.270 0.344 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 -5.659 -10.309 3.237 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 3.362 4.791 7.286 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 0.548 -0.425 0.079 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 -5.404 -19.492 -14.821 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 3.197 19.163 -16.645 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 4.064 6.923 4.694 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 0.965 4.142 8.110 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 6.196 2.706 1.751 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 4.094 -5.656 -0.174 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 10.394 12.590 4.175 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 13.487 -3.393 -25.506 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 3.431 -3.334 -1.448 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 27.980 2.057 -0.094 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 -7.572 -1.627 1.588 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 2.343 -7.439 -2.141 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 12.033 -4.170 4.904 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 7.888 -9.379 -13.209 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -8.948 1.393 -6.531 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 -20.961 12.220 4.911 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 10.743 -10.119 -19.694 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 -1.183 -4.790 0.112 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 -4.433 8.006 -10.462 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 -0.932 14.129 -10.872 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 0.321 0.974 6.855 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 -0.087 -1.018 10.949 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 4.872 13.864 -1.804 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 -0.525 1.083 0.444 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 -7.053 -4.772 -5.243 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 8.106 2.135 -9.886 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 -5.422 0.059 -1.996 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 -8.819 0.960 -9.917 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 -4.885 4.030 3.607 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 -4.120 -1.878 3.214 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 -0.794 -8.047 11.471 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 1.216 -6.282 1.972 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 -11.808 0.248 1.314 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 20.514 0.882 16.875 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 -1.704 3.532 8.742 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 3.024 -1.700 2.971 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 18.425 21.897 -1.854 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 -11.271 5.905 -7.238 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 4.763 0.475 -5.641 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 10.239 -16.246 4.256 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 5.265 -4.281 -15.174 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 -0.380 6.662 5.675 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 -1.838 8.731 7.834 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 9.828 -7.565 -6.834 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 3.348 -4.913 4.061 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 -8.215 9.738 -7.745 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 -4.584 15.083 -38.870 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 3.067 0.298 3.645 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 8.202 -0.699 18.803 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 6.281 2.155 13.897 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 2.989 -5.646 0.798 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 6.507 -21.663 -1.590 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 4.396 -9.197 -6.829 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 -1.366 -2.507 -0.262 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 2.149 -16.506 -6.930 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 -7.697 3.000 13.345 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 3.483 3.332 1.358 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 -8.965 1.071 -0.862 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 -29.551 -0.702 -4.923 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 4.911 8.698 -0.126 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 3.954 -0.161 2.416 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 6.468 17.198 -12.808 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 4.037 -1.924 -4.817 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 -5.466 -23.442 1.304 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 10.384 19.988 -25.565 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 -5.741 0.625 -3.390 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 -30.378 7.555 -11.161 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 3.900 -0.895 -12.343 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 -2.866 9.718 -0.328 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 10.508 2.917 -4.721 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 -12.314 -2.551 2.754 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 2.792 -4.558 -5.345 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 -27.953 -20.967 -8.133 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 0.166 29.525 -7.379 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 2.895 0.542 3.632 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 -7.996 -10.779 -19.178 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 13.081 -7.190 2.348 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 -0.873 1.592 -0.789 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 -19.236 27.985 0.941 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 24.492 8.248 15.227 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 2.342 3.934 7.180 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 16.609 -11.439 -2.621 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 7.141 9.469 3.778 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 5.705 -5.830 -3.437 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 21.331 8.966 -0.919 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 8.220 -23.534 14.035 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 2.862 -0.228 -2.444 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 0.163 7.478 4.484 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 1.677 2.295 10.414 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 -0.483 1.259 -0.272 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 -5.396 -1.384 -8.415 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 2.051 5.593 -6.833 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 -1.231 -5.136 -3.242 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 -6.701 1.008 -6.417 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 4.236 -3.656 22.309 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 2.468 -0.172 -0.523 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 -7.482 -5.056 6.574 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 -2.391 -1.791 -0.213 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 0.274 -5.952 -0.262 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 7.428 8.960 1.109 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 -8.253 -21.936 15.696 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 -5.254 4.274 0.719 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 -8.229 41.835 -17.226 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 7.348 -19.836 -30.897 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 -0.897 -4.493 -0.859 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 -3.244 3.157 10.855 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 9.902 -11.631 -0.791 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 1.327 3.521 -0.004 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 -21.978 7.031 5.386 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 31.595 -0.815 -4.083 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 -2.977 3.241 -1.957 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 21.526 -11.361 -22.270 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 9.441 15.842 21.263 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 -9.607 -0.651 -0.008 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 -15.870 -11.817 -6.755 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 0.564 18.645 15.612 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 -6.825 -2.703 -1.072 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 -6.948 -1.852 10.991 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 9.307 6.653 12.621 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 1.702 1.334 0.290 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 -1.824 2.557 5.130 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 2.843 -11.867 3.412 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 -2.200 -1.976 0.818 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 -13.042 -4.643 -10.769 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 -17.780 1.006 8.170 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 -0.614 -3.516 4.287 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 29.389 23.727 -11.254 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 -4.384 1.816 1.069 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 -1.936 -0.948 -5.668 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 -27.755 19.469 -5.058 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 -5.346 -10.799 4.088 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 2.784 -0.882 5.626 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 17.424 4.973 2.340 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 10.733 -8.481 13.585 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 0.719 5.587 0.455 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 -1.875 11.609 -17.450 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 -0.295 4.377 3.465 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 -0.636 -1.131 -2.187 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 -1.958 13.586 -7.667 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 -14.816 -8.424 -6.467 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 6.260 9.950 -5.540 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 -6.535 -1.955 -3.092 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 -30.409 20.491 29.168 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 2.834 -0.551 -1.959 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 5.206 5.634 -3.435 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 -0.414 1.037 -1.513 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 2.411 0.912 4.658 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 19.209 -36.065 10.671 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 -11.259 8.514 3.109 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 -0.537 5.912 0.170 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 -9.192 -1.981 -0.184 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 16.612 17.325 -2.143 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 0.861 0.161 1.138 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 3.442 5.493 -6.357 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 8.154 -1.892 5.024 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 0.583 -0.036 1.060 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 -22.405 4.511 -17.569 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 -9.034 -23.017 23.727 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 6.114 0.410 -1.657 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 -12.208 18.064 -0.315 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 -33.084 21.752 -6.241 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 -2.139 0.244 0.037 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 3.894 -4.429 -11.906 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 6.890 11.589 0.668 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 0.769 -5.776 2.712 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 10.053 15.476 5.569 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 -10.524 3.055 -0.303 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 2.239 1.662 2.615 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 0.414 11.398 -16.678 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 13.698 -4.466 6.424 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -3.535 -2.121 -4.909 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 5.774 -17.507 -0.910 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 -26.580 -0.523 -3.703 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 -2.439 -3.963 -4.651 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 -14.112 -0.363 -7.015 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 2.754 -0.645 -2.728 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 -3.799 -4.402 3.312 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 5.110 -3.141 20.827 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 -3.582 -7.619 12.416 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 3.048 1.475 5.080 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 -0.598 -8.554 2.929 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 29.801 4.725 -46.292 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 1.879 -6.221 5.758 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 2.713 10.401 -9.465 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 -15.552 -9.082 22.170 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 -2.180 2.369 -0.252 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 6.249 -6.152 12.516 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 2.808 18.802 1.725 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 -1.510 -8.554 0.209 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 5.152 -8.416 -2.707 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 6.179 -2.097 8.434 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 -3.443 1.742 2.747 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 -12.604 11.569 -5.797 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 -2.849 -0.536 1.960 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 6.397 4.277 0.425 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 6.069 -1.555 8.023 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 15.395 15.710 -8.600 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 0.149 -0.261 4.107 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 -4.834 4.846 15.672 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 7.506 0.711 19.289 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 1.503 4.129 0.680 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 5.221 4.430 2.566 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 -6.966 16.803 3.798 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 3.952 2.138 -4.352 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 -5.830 -10.799 41.734 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 -3.571 0.135 -0.954 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 -6.262 6.975 2.183 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 -1.614 4.550 23.344 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 24.436 5.287 -20.859 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 -1.304 -0.052 7.551 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 2.842 -22.001 -0.575 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 -9.816 27.977 10.348 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 -4.141 1.068 5.251 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 -24.551 -1.981 13.708 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 14.971 4.123 -3.056 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 8.305 -0.213 1.166 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 4.181 28.768 -4.179 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 21.133 4.724 9.373 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 3.360 -1.881 -0.008 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 -3.329 7.679 18.067 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 -1.914 -1.161 2.963 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 -1.392 3.692 1.981 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 -20.427 -9.643 0.084 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 5.047 30.112 19.276 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 7.095 -4.053 -5.428 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 -19.900 -3.754 -2.813 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 -4.989 8.093 -2.682 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 5.912 -2.220 5.289 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 -4.175 -3.674 -6.202 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 -10.464 -10.789 19.297 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 4.295 -3.089 0.571 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 1.269 4.603 14.416 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 6.906 -12.577 6.482 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 0.993 -2.736 1.030 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 2.337 4.276 -7.756 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 6.568 0.200 -5.430 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 -6.128 -3.786 -5.128 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 -6.216 -2.849 15.420 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 10.805 -1.956 0.811 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 0.166 -3.515 -2.523 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 -3.328 4.724 -6.726 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 4.741 -24.289 9.953 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 1.203 -0.839 -2.166 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 0.032 -14.869 -25.419 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 -10.385 10.766 0.541 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 -1.977 -3.588 -4.151 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 -10.939 -11.672 12.195 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 4.393 2.856 3.767 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 -6.522 7.999 -3.511 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 -2.869 -2.527 -4.567 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 3.926 -7.682 -3.811 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 6.622 0.413 -2.343 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 1.148 4.062 9.137 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 1.301 -1.871 -5.013 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 -8.849 -1.007 -8.242 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 10.062 6.114 -3.230 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 -7.928 -0.565 -6.645 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 -4.621 3.309 -5.011 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 8.319 8.918 2.990 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 7.932 5.390 -5.140 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 -6.358 -0.620 0.073 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 -12.861 8.115 15.017 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 -5.724 14.800 -14.215 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 2.708 -7.703 -0.218 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 -0.746 -3.128 4.229 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 0.708 -3.918 0.535 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 2.676 -0.857 3.865 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 -4.040 2.727 17.086 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 -6.972 -6.516 -14.993 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 -2.116 0.581 -3.408 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 2.116 -8.718 1.052 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 7.547 6.440 -1.921 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 -1.067 -0.946 -5.655 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 -6.542 5.965 -4.248 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 -5.982 10.546 -2.376 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 1.410 9.665 0.777 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 -0.510 -7.978 23.752 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 4.334 -0.556 2.777 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 -1.088 2.234 -1.821 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 2.350 -2.667 5.272 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 10.900 15.104 -5.241 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 2.941 2.938 -8.567 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 -16.770 9.884 -0.355 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 0.447 -6.040 2.397 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 -5.078 1.744 3.429 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 -12.088 -4.372 6.330 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 -7.278 -1.440 0.297 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 5.143 5.322 -1.840 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 9.018 -4.952 20.113 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 6.737 4.453 -5.224 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 -3.731 1.178 -6.677 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 -0.019 0.098 -0.728 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 12.260 -0.704 21.895 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 -2.676 -7.790 -0.708 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 -5.329 -18.546 0.894 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 -9.541 -4.903 -8.249 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 0.434 -2.110 -5.831 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 -0.892 -8.407 3.706 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 -10.935 3.487 -4.492 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -10.240 -1.060 1.135 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -3.005 7.511 1.327 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 -6.007 0.501 3.617 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 6.706 -7.399 6.132 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 17.544 -20.734 -14.275 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 -12.237 14.227 -8.166 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 -3.081 -1.420 1.790 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 1.507 3.476 7.633 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 -1.811 0.686 -0.493 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 5.405 -1.853 -3.008 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 4.021 -10.069 2.237 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 4.636 -13.862 4.354 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 -2.588 -4.946 0.333 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 -12.393 7.880 -11.955 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 -1.322 -11.281 -6.317 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 -4.561 -3.210 0.321 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 -9.643 -25.754 -28.346 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 1.096 -0.082 1.592 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 5.237 1.655 6.139 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 20.524 0.920 -25.521 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 -1.166 0.694 11.352 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 -1.685 0.521 -7.948 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 -3.649 11.784 -14.477 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 -15.504 -6.287 2.811 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 5.619 4.168 -0.422 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 2.043 14.051 15.037 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 -11.200 11.842 -8.341 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 0.242 -6.501 6.679 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 -11.772 3.459 -3.748 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 -13.541 -14.393 19.954 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 3.134 6.249 0.039 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 -32.182 -4.004 10.964 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 4.705 7.843 2.670 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 6.192 -5.408 -6.760 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 8.021 -7.578 -3.439 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 3.020 -8.435 -13.069 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 -1.427 -7.012 1.690 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 -3.545 -15.549 -2.925 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 -1.016 -7.294 3.528 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 -2.709 3.639 -3.329 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 -15.923 -5.876 -12.146 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 1.877 3.359 -3.458 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 0.057 -0.113 8.372 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 4.945 2.791 9.387 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 -8.499 -2.523 3.189 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 11.086 -4.770 -7.298 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 21.340 -7.077 0.896 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 11.836 3.297 -18.363 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 1.702 -2.572 -1.547 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 -3.395 14.488 -6.203 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 -14.000 -9.300 6.051 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 -0.326 1.035 -2.131 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 -20.408 1.245 -14.844 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 -6.049 -2.319 -14.329 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 -6.485 -1.673 -2.362 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 -16.209 -14.140 -10.435 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 9.562 20.516 12.570 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 -3.228 1.355 -5.326 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 3.325 -11.213 -15.206 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 -5.124 -2.086 -6.139 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 3.571 8.209 -4.113 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 -9.337 -2.835 -6.784 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 -2.645 30.494 -11.377 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 -3.471 0.525 -2.068 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 0.541 2.375 -7.976 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 -5.327 11.780 -9.609 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 -2.829 -2.534 -1.410 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 -2.841 27.188 -1.355 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 -3.862 -6.372 -1.791 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 8.236 -0.350 6.238 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 3.262 -4.318 11.707 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 -0.861 -0.575 7.733 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 0.053 2.689 0.543 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 15.049 31.049 17.348 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 -23.242 -10.326 -9.698 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 -0.306 -1.561 4.969 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 6.934 30.526 11.506 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 1.359 -3.382 14.376 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 6.618 4.334 2.558 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 8.189 -2.352 14.945 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 -18.304 -0.003 -6.852 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -5.951 3.220 -1.473 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 9.126 -2.497 8.572 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -19.644 -3.123 2.580 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 7.350 0.470 8.288 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 4.392 15.224 -8.945 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 2.655 11.415 -10.784 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 3.613 2.022 0.970 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 -16.839 45.450 3.625 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 9.225 5.624 -1.586 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 -8.907 -2.261 -2.153 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 -3.327 -10.074 -7.054 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 -12.511 -41.799 -8.050 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 -7.732 -3.794 -0.209 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 -21.101 -7.874 1.514 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 7.357 -7.695 3.387 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 5.668 -1.351 5.296 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 -11.826 17.834 -42.777 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 9.211 1.820 -6.360 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 3.955 -6.881 -1.093 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 -4.046 -12.968 7.486 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 10.325 -31.556 7.080 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 3.832 -10.026 2.905 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 6.523 -2.222 6.019 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 13.527 -1.907 3.589 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 1.640 2.687 -2.210 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 -14.572 -15.905 -23.659 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 -21.502 9.308 3.353 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 -2.357 -0.167 3.399 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 16.489 1.780 4.668 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 -3.709 14.524 5.014 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 1.240 2.910 -5.664 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 3.877 -1.296 -7.871 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 9.044 1.060 -10.876 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 2.221 5.151 -1.589 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 22.229 -7.670 6.605 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 -20.571 -10.104 -0.622 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 -2.163 11.678 4.242 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 19.955 -13.524 -6.892 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 5.287 2.086 6.842 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 -0.058 0.169 5.411 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 3.393 9.029 1.026 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 -27.195 -10.389 1.539 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 -0.145 0.048 -1.676 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 0.080 -46.513 8.622 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 -16.623 -30.083 8.666 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 -4.148 1.727 -3.640 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 -2.393 -0.737 -21.181 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 -9.871 -4.076 6.911 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 0.907 -1.885 7.238 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 -5.499 -17.289 11.133 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 -8.964 11.516 15.904 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 5.382 -1.917 7.622 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 -11.529 1.935 10.286 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 -4.894 4.042 -0.750 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 1.285 -4.838 -1.988 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 1.043 -4.692 -18.054 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 22.595 -10.746 4.379 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 -2.041 5.840 3.565 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 -0.789 -4.436 -5.096 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 -4.928 -6.275 -9.001 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 2.931 2.880 -1.806 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 1.944 5.454 0.117 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 -0.577 -1.412 0.638 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 1.962 -2.579 3.846 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 -26.337 -11.142 -19.720 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 21.859 -3.944 11.931 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 2.800 -0.587 -2.935 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 0.446 18.638 1.296 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -1.869 5.893 -2.923 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 -5.979 -0.910 5.669 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 -6.440 -1.315 5.738 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 -9.298 -4.313 6.758 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 4.143 -2.292 0.805 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 -7.180 1.280 -4.164 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 9.392 -3.724 -9.559 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 -3.120 -1.647 1.278 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 2.978 -2.692 8.560 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 -7.053 7.361 5.465 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 -3.632 -2.659 -3.403 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 -34.347 15.683 -3.112 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 8.220 -11.183 6.643 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 1.270 -4.419 -0.656 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 8.641 10.002 17.200 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 -17.314 12.872 -9.220 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 2.525 6.538 -4.566 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 9.824 -3.370 -12.123 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 9.188 -3.450 -14.900 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 -0.278 8.333 0.681 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 -10.659 9.471 29.648 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 6.493 7.854 -18.757 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 4.174 -0.416 -2.785 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 -0.350 1.513 0.189 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 12.723 -1.685 -2.399 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 -2.443 1.070 -1.603 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 6.286 -1.435 1.583 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 -2.516 14.136 -4.887 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 3.032 2.910 6.069 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 24.657 13.561 5.540 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 -18.377 25.427 -5.782 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 -2.370 -0.138 0.231 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 -35.415 2.056 -7.070 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 2.718 -28.067 -6.092 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 2.035 1.484 -3.222 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 -6.781 -7.354 -5.838 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 2.462 15.718 -1.997 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 -0.679 1.435 3.801 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 -11.262 11.677 -7.121 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 -9.832 -13.578 -7.004 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 0.264 0.135 5.476 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 5.667 -8.208 8.432 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 -8.801 -13.294 4.971 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 -3.398 2.211 -3.702 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 23.515 18.616 11.945 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 6.791 2.198 -30.782 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 -2.173 -8.834 -2.966 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 -7.413 6.077 23.383 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 19.408 28.528 4.103 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 -5.798 -0.598 1.973 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 -36.839 5.330 -7.792 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 15.082 -1.416 18.311 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 -8.096 3.817 -0.734 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 -0.154 11.942 15.107 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 -15.975 -7.516 18.581 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 -1.465 2.904 4.163 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 -2.048 -7.945 7.923 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 -3.130 -1.704 4.617 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 0.911 7.482 1.899 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 10.906 22.922 -25.185 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 -4.361 -0.854 -3.839 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 -4.810 3.244 -6.445 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 11.111 -16.757 8.430 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 -15.515 12.147 -16.234 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 -1.281 8.693 4.122 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 -4.266 32.934 14.621 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 -22.480 -11.806 -12.867 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 7.546 2.203 7.033 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 8.863 9.261 13.811 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 10.008 22.247 7.119 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 7.418 8.674 1.762 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 5.204 15.878 -9.351 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 -7.419 19.529 -25.378 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -1.489 -4.902 -5.973 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 3.581 -16.281 9.313 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 33.980 -24.239 4.011 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 -1.566 -3.380 -1.195 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 -4.634 0.208 -2.122 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 8.917 7.295 5.429 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 1.107 0.190 2.343 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 -5.112 1.153 2.846 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 22.234 -10.079 2.307 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 1.675 4.713 1.038 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 5.494 7.627 3.774 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 -13.463 -7.757 -9.380 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 0.440 3.448 2.868 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 3.073 -17.425 9.104 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 5.834 -15.155 -5.328 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 3.190 -4.245 -3.136 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 12.219 0.283 -6.156 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 3.425 0.568 5.923 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 1.096 -4.299 3.513 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 -24.742 -26.666 -5.160 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 25.007 19.414 3.793 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 2.756 0.344 -0.359 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 -4.630 -5.548 7.606 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 -1.454 -30.490 9.007 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 -3.369 7.025 -1.827 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 -4.230 13.387 -8.292 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 -9.659 4.164 -11.665 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 -6.263 2.519 1.124 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 18.138 -5.600 3.896 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 -4.728 11.546 -10.964 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 -3.607 -0.912 -3.791 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 -6.971 -1.500 -9.973 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 -12.087 1.642 5.085 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 -0.165 -1.731 -3.662 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 7.916 2.098 -0.509 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 15.103 -3.306 -11.497 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 -1.592 4.165 -2.197 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 0.706 19.577 -12.371 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 6.273 -2.302 1.516 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 2.260 3.140 -2.400 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 7.365 -2.245 6.584 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 -6.432 1.603 0.358 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 -3.232 -3.231 -1.265 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 -19.458 19.672 11.194 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 -5.614 5.736 7.707 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 4.724 -4.271 1.338 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 7.062 -1.867 11.897 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 4.104 -8.164 5.611 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 7.740 -5.040 0.171 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 11.423 0.555 0.484 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 4.412 -2.589 -3.349 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 -7.241 -0.937 -4.608 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 -4.627 13.835 25.135 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 -3.378 5.054 -0.533 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 2.324 -1.656 0.446 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 -13.794 -5.481 -4.765 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 17.362 19.782 -20.052 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 -5.185 11.865 -5.777 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 -13.415 14.405 -3.111 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 3.711 18.190 5.108 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 -3.846 6.203 -3.196 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 -29.100 22.079 0.096 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 -2.530 5.073 -3.980 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 0.208 3.146 -2.314 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 -1.383 0.229 -1.023 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 5.288 15.166 -3.892 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 -0.693 -6.768 1.957 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 -5.682 -2.271 12.111 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 7.573 -11.797 4.034 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 -2.597 0.287 -9.243 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 -5.873 0.068 12.637 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 -8.455 9.158 13.947 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 0.633 3.771 0.797 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 -6.897 10.777 -16.466 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 -8.281 15.439 14.378 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 -6.048 4.992 -0.175 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 -0.487 17.807 2.294 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 7.354 -2.196 -0.420 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 -0.113 2.790 -3.602 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 27.061 -0.543 -4.535 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 10.173 -15.469 10.965 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 -1.981 -5.369 -4.373 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 -12.514 2.804 -8.058 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 8.340 -5.921 4.351 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 0.894 0.063 -0.831 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 -7.693 0.171 -4.240 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 0.963 7.362 -9.416 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 -2.925 -3.377 -1.264 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 -8.342 -24.300 17.480 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 8.591 15.820 -28.552 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 0.499 1.397 2.532 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 13.778 -0.795 -2.255 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 -2.944 -1.640 4.567 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 0.766 2.395 -5.946 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 -2.213 1.958 -4.891 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 -3.586 5.121 -0.608 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 1.624 1.199 1.764 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 -1.030 -0.994 1.969 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 3.063 -3.714 3.814 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 0.665 -2.027 3.272 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 0.112 10.932 -1.938 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 14.291 -4.108 8.562 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 -0.028 7.345 0.686 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 -11.537 3.139 -14.186 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 -1.391 12.784 -3.984 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 -3.475 -1.589 -1.593 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 -4.007 13.016 -11.600 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 -7.546 -6.270 9.559 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 -5.799 -3.543 -1.459 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 -11.473 7.588 0.841 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 5.368 -0.626 10.180 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 6.396 6.137 1.870 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 -6.241 1.707 -20.947 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 34.531 -4.823 7.692 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 -4.021 -4.334 5.567 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 -19.841 -10.118 -15.119 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 -15.496 17.374 16.200 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 1.512 2.190 -7.619 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 2.458 3.232 -9.859 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 1.698 5.295 -15.778 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 -0.024 2.227 3.869 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 1.892 -15.277 -19.536 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 -24.025 1.160 8.399 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 -3.521 -1.353 -0.538 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 16.433 0.539 -14.928 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 -7.255 12.108 -16.395 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 7.196 -2.480 -9.712 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 6.640 -2.313 16.942 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 -10.351 3.953 -8.924 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 1.248 -0.205 -4.561 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 3.464 -2.747 1.063 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 -1.213 9.757 -2.103 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 13.081 1.251 3.860 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 10.993 -12.983 -7.664 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 13.117 0.542 1.280 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 0.283 -4.845 5.790 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 16.765 4.337 -28.131 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 -10.558 9.599 -14.856 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 2.513 -1.567 -5.483 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 -34.664 22.122 11.846 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 7.620 -9.961 -6.735 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 2.342 -7.710 2.316 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 0.292 -13.829 -16.084 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 -13.415 -21.243 -0.685 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 -1.937 3.502 1.402 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 -6.271 3.904 12.590 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 -0.746 3.533 0.290 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 -1.770 -1.271 -3.524 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 5.971 -10.657 -0.353 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 3.699 8.506 -10.326 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 0.612 2.182 0.233 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 21.376 -11.712 -5.739 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 3.765 -23.279 -7.655 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 0.347 7.012 -5.843 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 -3.338 12.704 1.928 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 -2.988 8.612 0.804 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 -3.759 -2.990 0.560 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 -6.083 2.137 -3.192 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 -7.462 6.785 -6.808 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 -2.563 -0.453 1.016 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 -26.375 2.155 3.821 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 14.603 7.427 -3.896 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 -2.475 5.118 2.494 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 -9.651 0.182 -2.331 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 -7.405 2.991 -0.124 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 -4.151 -11.369 -6.981 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 6.623 4.552 9.198 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 8.403 7.621 -14.833 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -4.217 -2.807 4.952 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 -1.896 -3.411 7.154 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 -2.080 -8.246 7.598 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 -4.400 -5.654 -5.897 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 17.935 -4.398 1.321 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 2.842 16.247 13.014 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 4.285 0.912 -3.461 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 13.015 0.105 -3.892 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 -0.456 7.232 10.243 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 1.495 -0.692 2.063 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 3.583 -7.938 4.712 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 1.870 -1.114 12.098 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 -0.318 0.726 3.472 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 -1.139 11.241 -14.498 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 -0.163 -4.961 -1.441 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 2.031 -1.402 -0.285 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 -0.265 -14.210 42.958 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 0.358 -8.617 -8.957 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 -3.968 2.026 2.754 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 -9.453 -14.462 -3.785 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 -0.531 -21.243 -17.870 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 1.208 -1.116 3.783 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 23.698 -6.124 6.893 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 -10.959 11.673 18.774 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 1.636 0.062 1.781 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 -10.210 12.987 9.672 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 2.739 -6.904 -0.263 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 1.487 2.359 9.044 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 -9.454 -2.317 1.678 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 13.146 10.829 21.135 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 3.362 6.232 1.538 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 5.630 3.118 2.202 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 -13.652 -2.015 -5.443 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 -5.761 4.468 -0.444 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 -3.510 8.617 -5.559 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 -9.223 6.202 3.717 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 2.017 0.477 7.329 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 -0.235 -1.662 -0.638 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 -3.638 5.266 9.499 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 -7.003 -2.421 -3.930 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 0.935 -12.659 -1.981 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 -6.145 3.269 -18.792 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 4.426 0.492 -0.607 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -2.058 -19.729 8.069 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 3.316 -4.579 1.342 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 2.647 -5.319 -4.223 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 10.262 -8.038 10.443 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 -7.057 9.025 -12.494 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 2.581 -4.921 -5.581 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 -14.741 -11.032 17.858 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 6.585 -2.454 -10.564 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 -4.174 -1.645 4.102 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -22.968 10.958 7.075 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 -2.036 -22.857 -21.254 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 -0.748 0.511 -3.249 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 8.376 8.275 -5.968 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 0.627 -0.999 -0.557 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 -4.806 -3.783 -0.603 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 10.012 6.913 4.388 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 -24.266 -7.998 24.745 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 3.866 -0.092 -1.257 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 -7.968 -5.724 20.254 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 -7.822 0.244 -12.740 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 3.738 4.971 -1.104 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 13.964 16.509 5.974 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 -7.513 -3.662 -4.747 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 -4.498 3.001 -1.656 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 -21.793 -6.802 -22.871 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 -22.647 -3.455 -27.764 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 6.699 4.739 -3.303 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 3.332 2.773 4.291 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 -1.604 2.830 8.529 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -1.078 3.602 -2.922 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 -1.647 4.831 -2.444 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 -1.364 -2.792 1.724 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 -3.735 0.089 2.229 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 -7.930 -8.648 14.469 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 12.983 -11.089 -7.393 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 -1.809 -8.624 7.402 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 -13.738 -15.256 5.444 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 -1.628 -9.451 -12.057 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 -3.632 -0.998 -3.731 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 9.873 -2.736 0.501 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 -12.686 -5.273 5.546 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 -1.652 6.678 -0.872 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 2.398 3.169 8.625 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 -4.419 17.955 -3.681 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 -6.425 -0.332 0.219 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 3.455 6.225 -23.505 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 -28.833 9.527 2.585 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 3.684 2.391 -1.636 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 -5.937 -3.128 -3.332 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 4.156 -4.858 -6.394 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 2.678 3.735 -7.691 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 12.270 -13.238 3.776 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 6.844 -8.373 -1.834 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 -1.120 2.858 4.235 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 -9.083 4.858 6.568 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 2.440 0.480 2.997 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 1.854 0.951 -2.058 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 1.271 0.183 3.274 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 4.756 -3.458 -4.712 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 3.477 2.831 -0.321 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 -3.076 -5.285 -1.090 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 4.734 7.524 -8.557 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 -0.269 0.326 4.791 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -0.304 3.743 -1.971 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 -5.974 -0.422 -6.802 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 3.661 -1.965 -7.162 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 -8.832 8.102 -15.247 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 0.917 -0.910 -10.442 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 3.959 -2.541 0.897 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 8.795 -4.049 13.896 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 7.761 -0.230 -14.998 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 -5.897 4.032 -5.225 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 3.832 -22.714 24.948 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 23.260 9.390 -20.671 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 3.720 -3.150 -0.336 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 9.660 -1.173 4.482 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 8.015 -5.546 7.671 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 -1.094 -1.807 -6.852 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 -6.589 0.251 -1.508 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 4.675 -0.252 -9.566 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 -2.704 0.070 5.041 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 10.100 -6.395 9.000 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 7.374 22.007 -1.327 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 4.380 1.566 -4.048 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 3.071 0.539 -9.087 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 -7.559 19.442 -12.956 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 5.614 -5.439 -2.007 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 -22.963 -2.213 15.345 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 -18.547 11.587 -15.677 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 -3.483 3.507 -0.539 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 11.217 -29.837 3.107 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -18.406 19.160 -2.255 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 4.330 -2.632 -0.478 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 5.574 -8.417 -4.580 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 3.915 -5.916 -1.328 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 -0.120 0.926 -5.434 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 -13.027 -15.228 23.053 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 9.729 17.653 10.047 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 1.103 1.414 -1.448 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 14.698 19.058 12.672 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 -14.047 -17.564 0.792 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 -1.975 -3.283 -4.060 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 1.063 2.603 6.594 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 -4.600 6.377 -15.932 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 -1.297 0.076 3.168 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 -1.121 3.037 -15.894 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 -12.932 9.450 14.746 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 -3.212 2.241 -0.983 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 -19.325 -13.086 -8.233 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 5.630 14.577 9.912 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 0.161 4.699 -1.987 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 -1.888 10.380 -10.103 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 -11.889 -25.589 1.012 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 -2.802 -1.549 -1.079 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 6.853 18.691 -15.902 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 0.346 2.519 3.735 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 3.350 3.640 -0.740 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 -11.190 -4.988 2.706 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 -6.591 8.554 22.631 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 -1.043 3.133 0.887 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 6.228 12.144 -9.321 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 -11.259 12.452 10.755 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 4.234 4.180 1.852 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 20.669 13.549 1.921 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 -1.379 -8.070 -10.643 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 -1.680 -3.324 5.779 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 -7.305 -6.114 14.066 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 14.869 1.682 -12.265 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 -0.325 4.349 -7.154 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 9.324 -2.952 3.882 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 -4.515 7.587 -12.901 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 2.783 -0.121 2.688 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 6.072 3.689 -7.001 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 -9.200 -1.989 -3.482 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 -7.978 -2.317 1.801 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 -13.422 6.314 3.982 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 -6.189 -1.628 0.186 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 -5.191 -5.903 -1.678 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 22.125 13.545 -8.682 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -5.005 -19.508 9.994 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 -3.742 -3.542 3.424 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 7.767 -8.386 -1.738 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 10.770 -10.423 -6.125 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 2.369 2.982 2.095 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 6.849 1.648 -12.452 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 12.070 11.175 9.103 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 2.685 -7.631 1.048 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 -1.122 25.585 -1.851 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 10.098 -24.347 -6.676 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 -5.630 -0.559 0.405 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 2.230 7.459 20.138 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 -0.217 13.417 13.451 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 -0.525 -2.861 2.065 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 2.520 -12.088 1.876 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 1.733 -20.990 12.552 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 5.798 -1.130 -6.438 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 -6.133 6.971 25.640 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -18.293 13.999 -27.822 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 1.191 -2.429 4.134 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 9.619 -2.757 -5.092 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 -6.338 15.433 10.227 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 -7.231 -3.904 -0.380 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 -19.728 -5.085 -11.122 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 2.683 -8.404 -0.104 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 3.058 5.282 5.068 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 19.834 14.875 -1.824 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 13.028 -10.790 -33.361 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 2.245 7.419 2.124 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 14.355 -2.178 -4.629 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 12.592 -5.414 -1.127 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 -1.867 -2.190 -0.003 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 -32.373 16.232 5.257 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 15.038 -1.134 -14.955 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 -2.890 1.214 -0.501 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 3.173 -1.584 11.808 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 -11.571 -9.476 -3.728 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 -5.273 2.126 7.213 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 3.549 6.795 -3.412 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 1.705 2.534 8.382 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 -3.339 1.382 -0.611 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 -3.342 1.233 -6.568 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 -3.470 -1.454 31.994 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 0.809 2.458 -2.276 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 -10.822 -0.053 -0.130 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 -3.823 -14.755 16.133 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 6.416 -0.486 3.680 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 8.816 10.845 0.561 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 6.161 -7.788 8.301 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 -6.201 4.720 -3.785 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 -3.072 -18.518 9.951 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 7.768 -4.726 -11.588 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 2.640 5.934 7.920 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 -31.353 19.622 23.705 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 -2.728 8.844 10.322 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 0.226 -0.069 -2.593 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 6.751 9.353 -1.385 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 -6.562 -2.794 4.409 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 -1.486 5.338 -3.268 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 -12.172 -5.169 -9.278 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 13.502 -3.592 7.972 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 6.704 0.917 5.832 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 0.339 7.198 -1.068 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 15.456 -16.178 6.213 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 2.555 2.309 -3.501 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 -1.023 40.023 -25.052 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 -7.087 -3.385 0.654 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 2.391 -3.219 -0.431 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 -3.097 -7.745 4.582 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 2.555 0.004 -6.662 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 6.216 2.430 -4.161 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 -6.522 9.938 -5.097 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 -5.963 6.942 -8.937 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 7.430 -1.506 -4.630 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 11.867 11.544 -9.497 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 8.123 13.477 -2.298 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 -1.007 -2.362 0.643 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 -0.658 2.186 -1.301 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 -13.267 3.264 5.089 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 -3.976 1.131 -0.759 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 -9.644 6.167 -14.601 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 -16.321 -9.045 4.271 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 -4.082 4.735 0.922 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 -6.434 5.228 0.432 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 1.204 17.088 10.134 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 -4.035 -0.818 -2.089 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 13.306 -10.943 -9.673 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 -7.807 7.175 -19.143 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 5.111 8.845 -1.166 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 11.804 8.434 2.469 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 5.821 8.106 -4.532 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 -8.262 4.847 -4.767 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 -0.603 8.050 -4.411 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 -1.308 -21.563 -1.623 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 -3.976 5.989 -3.923 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 -14.142 7.104 -14.609 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 -20.264 -11.758 -5.537 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 6.011 5.645 0.648 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 -0.932 7.557 4.243 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 -5.170 -6.996 12.361 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 -0.711 -1.074 -8.063 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 -5.476 14.635 -13.302 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 1.632 -14.036 -3.944 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 1.271 0.870 -2.285 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 -1.377 -4.521 10.765 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 17.265 -3.777 -23.072 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 -0.706 -0.220 -8.199 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 -7.590 -25.143 -14.798 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 -25.448 9.128 -27.019 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 3.878 0.147 2.813 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 17.230 -6.557 1.859 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 2.535 -9.684 1.124 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 -1.735 6.494 4.858 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 10.222 15.483 -33.038 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 -0.974 -1.624 -8.407 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 -0.172 -6.155 -2.950 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 -8.410 -11.130 -2.705 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 9.847 -9.012 1.728 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 -0.609 -2.497 12.434 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 7.306 -5.679 5.445 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 14.165 -2.757 -3.373 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 1.698 -0.694 2.042 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 7.041 -12.726 5.560 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 -10.830 -2.568 -5.014 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 -0.447 4.652 -0.813 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 -26.655 -6.270 0.851 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 3.019 27.747 -21.984 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 -3.377 -5.356 3.146 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 -2.126 -2.220 -4.584 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 -9.619 10.868 6.702 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 7.263 5.534 0.334 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 8.663 7.993 0.275 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 -4.523 8.350 10.574 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 -1.620 -3.817 -0.255 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 -2.902 25.136 -14.027 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 -1.854 23.302 -4.624 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 5.995 2.744 -1.427 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 7.388 8.140 -6.566 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 -0.671 -2.116 -2.361 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 -4.478 -2.503 0.739 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 2.456 11.328 -16.356 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 22.284 -3.431 7.629 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 3.102 5.443 -3.906 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 -21.779 -5.717 -5.586 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 15.719 -0.243 11.698 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 -0.232 -0.894 0.695 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 -0.170 0.373 0.720 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 0.162 -1.635 -0.155 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 -2.844 -0.277 3.835 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 -5.186 5.181 -4.430 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 -10.717 12.098 -12.511 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 -2.093 -4.476 -2.017 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 -1.207 8.065 7.292 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 -7.785 1.160 -14.603 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 1.960 4.268 3.050 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 12.290 2.055 -8.230 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 10.691 18.489 20.871 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 2.943 0.986 1.386 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 0.806 -22.447 -9.860 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 -5.922 12.703 -5.814 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 3.776 1.085 -6.857 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 -14.175 12.282 -11.044 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -5.587 18.352 -10.715 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 -4.327 2.805 -2.460 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 -2.510 6.235 17.037 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 -9.464 -16.848 -2.000 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 -1.795 -9.186 5.951 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 -8.681 -3.087 12.097 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 9.755 -6.667 2.065 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 -1.294 3.445 -2.447 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 -7.240 -18.581 -25.353 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 -2.542 -0.484 -4.011 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 -0.329 3.420 -2.243 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 -10.763 -1.731 12.422 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 -5.699 3.085 5.597 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 5.910 -3.651 1.128 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 -25.709 12.397 3.007 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 -11.254 -4.307 -4.463 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 0.811 -1.663 3.772 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 21.590 -13.451 -0.360 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 -7.581 -5.720 26.335 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 -4.617 3.620 3.068 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 1.816 -4.602 -13.258 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 2.608 17.537 3.601 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 1.177 -3.090 5.646 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 18.031 8.200 14.355 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 -3.950 4.162 2.393 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 4.962 -2.856 1.281 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 -6.372 10.971 9.505 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 8.907 19.566 3.206 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 2.660 -5.766 4.721 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 5.961 -6.701 -0.506 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 1.646 -4.404 7.120 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 -2.892 -1.556 4.489 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 -4.831 7.181 14.381 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 11.545 7.486 2.221 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 0.301 1.223 -7.236 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 5.995 -4.931 -4.398 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 -0.450 -1.364 1.479 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 4.774 3.216 -7.982 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 -5.345 10.764 -6.131 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 15.264 18.260 1.574 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 1.162 0.170 8.852 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 -1.340 7.974 2.268 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 -1.173 -29.877 -15.196 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 -0.487 4.264 -1.788 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 -7.447 13.087 -7.920 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 -4.923 -17.705 -11.272 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 -1.260 3.220 2.308 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 -10.107 12.521 -4.128 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 5.980 -4.024 15.852 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 3.450 -3.579 -6.185 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 -1.445 -7.658 -7.188 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 8.122 -6.803 -7.031 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 3.302 -0.444 2.552 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 0.125 1.522 6.651 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 -13.522 6.998 8.544 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 -2.194 -4.340 1.162 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 -15.242 4.766 6.916 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 -4.186 7.328 3.243 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 -2.166 -2.127 0.919 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 3.702 2.188 10.351 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 3.977 -11.699 -1.468 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 -0.630 3.177 3.555 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 -2.820 6.379 2.973 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 20.154 -30.668 -0.241 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 -1.936 -0.520 4.778 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 -20.419 -14.925 -12.409 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 15.480 13.385 19.747 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 -5.014 -6.996 5.250 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 17.060 2.316 7.614 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 -11.498 -10.864 27.403 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 -5.543 -1.290 1.522 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 0.383 -4.944 1.774 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 -13.554 -2.738 -4.465 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 3.526 0.497 1.466 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 18.891 -1.914 -3.264 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 3.417 4.173 -9.720 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 -0.007 4.483 2.487 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 1.202 15.437 7.798 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 -7.896 8.129 -3.469 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 -2.001 -3.821 -1.057 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 2.054 -7.424 15.491 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 -0.630 -2.517 -2.551 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 -2.249 -2.421 -4.675 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 -0.274 7.165 -12.316 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 -4.099 8.110 -0.540 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 6.951 -2.145 -4.578 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 -8.403 12.865 -3.478 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 -4.765 -4.908 15.105 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 5.502 -1.356 4.380 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 -2.856 -8.239 3.805 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 -10.869 -15.456 3.650 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 -3.866 -2.650 -3.532 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 -10.017 19.801 23.352 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 -11.611 -7.855 6.186 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 -7.981 7.179 0.477 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 -19.520 -24.475 -2.965 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 -9.631 -3.734 -2.032 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 3.368 7.034 -5.477 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 5.839 9.219 -8.477 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 3.806 7.916 -11.349 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 3.894 -3.097 -1.486 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 -6.399 -1.876 1.844 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 0.715 8.190 12.586 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 -3.411 -1.826 -0.272 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 5.809 -0.599 -1.948 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 -3.631 4.408 5.359 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 -7.135 -1.168 2.588 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 -8.903 -9.224 9.551 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 -12.487 3.622 -6.979 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 0.162 -0.015 -3.086 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 -5.061 17.809 1.231 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 32.236 -4.429 15.865 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 -1.258 3.444 3.844 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 -7.831 14.407 1.354 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 3.252 2.451 15.522 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 1.073 -10.217 1.453 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 5.324 -29.212 -15.663 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 -3.856 9.911 0.266 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 -4.692 2.572 5.283 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 8.275 -4.260 2.524 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 3.035 8.119 0.478 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 -3.627 -2.796 1.863 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 10.631 -8.025 17.716 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 -35.861 -10.170 3.255 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 -4.921 0.958 0.763 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 -1.020 3.692 8.984 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 -9.438 10.821 8.968 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 2.711 3.645 3.552 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 -7.564 2.666 1.251 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 -8.428 4.098 -0.278 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 7.249 -1.862 2.143 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 1.806 -4.481 5.361 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 -4.580 -3.444 -6.230 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 5.022 -1.230 6.102 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 14.994 8.072 16.458 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 9.131 -4.787 21.965 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 -2.929 -2.721 -6.036 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 -11.356 -1.868 -13.869 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 10.535 -22.224 6.961 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 6.643 -3.033 2.044 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 -0.127 6.179 -9.428 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 3.864 0.441 -1.229 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 -1.370 -4.470 5.950 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 6.144 18.569 -11.109 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 6.568 7.515 32.574 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 -2.229 -3.981 -4.626 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 15.586 -7.020 -5.179 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 -9.039 -6.250 -3.861 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 -2.400 0.423 2.319 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 4.646 -4.963 18.468 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 9.129 -8.594 29.912 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 2.616 0.754 2.933 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 -6.809 3.349 12.552 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 -6.502 -1.554 -5.652 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 -1.667 4.026 -1.853 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 4.130 -0.688 -2.453 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 4.421 19.042 -7.716 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 -2.993 1.581 -1.625 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 -1.938 -2.062 -12.897 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 -8.563 -4.485 -5.058 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 3.334 6.905 2.397 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 10.638 13.973 -10.949 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 -5.943 1.839 5.837 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 -4.426 -0.557 -3.808 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 -5.480 -10.324 5.905 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 -11.819 2.860 -7.999 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 0.862 -8.962 -3.948 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 5.680 -8.771 -8.446 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 9.058 -5.706 -12.116 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 -3.845 0.424 0.660 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 -8.193 -3.348 7.969 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 -22.690 -23.069 15.734 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 4.558 0.926 -4.042 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 7.681 -6.590 7.671 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 2.540 10.251 0.966 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 -3.717 -2.310 -4.117 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 -1.661 0.170 8.870 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 -1.434 1.620 15.764 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 3.575 3.439 3.482 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 2.050 -25.835 23.758 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 16.171 4.820 1.445 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 -2.546 -1.296 5.623 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 -8.833 -6.233 14.283 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 -1.660 -3.622 6.501 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 -2.319 -8.225 2.718 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 2.458 16.070 14.032 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 5.667 -8.996 -2.782 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 7.859 1.898 1.079 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 -5.705 -7.584 8.895 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 -1.642 -5.241 4.983 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 2.083 2.408 5.238 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 -8.663 0.827 8.508 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 -9.686 10.363 -23.306 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 -2.664 -3.687 4.054 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 -5.891 -3.041 6.287 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 -8.944 9.340 33.851 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 -1.797 1.884 5.396 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 2.716 3.712 -21.813 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 -17.932 -25.962 14.983 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 1.442 -11.779 4.073 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 -11.669 4.698 -4.550 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 -25.258 -12.253 22.772 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 5.256 -1.027 3.444 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 16.553 -1.717 -1.368 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 -8.443 -21.489 -4.464 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 6.355 1.200 0.729 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 11.320 -0.880 6.488 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 3.654 0.319 -0.486 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 0.229 -6.991 0.521 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 -9.045 15.042 11.849 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 -11.841 3.572 8.121 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 2.518 -2.003 0.344 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 14.212 6.300 -2.871 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 -3.867 -3.907 2.976 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 3.702 -3.460 9.742 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 7.033 -1.116 0.483 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 13.580 -41.067 -14.270 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 3.339 2.611 6.065 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 -0.313 25.283 21.996 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 9.934 -12.931 -7.092 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 -0.465 3.334 -1.580 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 7.925 4.417 9.433 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 -1.914 -8.676 -3.597 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 5.143 -3.480 4.148 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 -14.737 -3.675 2.059 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 -33.514 -2.903 -10.170 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 -0.709 0.695 -1.558 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 1.165 15.308 -1.048 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 -14.322 -2.178 4.342 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 -1.600 -1.231 -1.342 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 17.055 11.549 -1.602 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 -13.266 -2.064 -12.253 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 1.124 0.020 4.695 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 -11.073 -11.639 -15.214 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 2.088 -7.783 12.985 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 2.152 -2.229 0.603 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 4.114 8.151 -5.061 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 12.778 -6.409 -0.833 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 0.965 -7.832 6.907 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 -4.786 11.953 16.315 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 -8.527 -5.868 -18.324 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 4.612 -6.305 1.192 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 2.718 -7.171 8.137 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 6.537 -11.002 1.059 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 3.047 0.168 -2.078 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 9.278 -8.198 -14.519 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 4.238 -5.149 6.505 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 -3.982 0.877 -1.860 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 8.246 5.424 3.565 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 -9.180 10.034 -5.208 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 -3.671 -0.557 -0.367 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 -4.017 -12.612 8.206 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 3.532 -5.196 -6.664 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 3.507 1.034 -3.323 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 -13.221 11.822 -5.909 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 22.067 -11.654 -0.034 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 2.662 6.660 -0.098 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 9.520 4.738 37.119 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 16.187 -20.023 13.663 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 1.232 2.312 -6.465 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 -0.804 0.296 -27.802 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 15.502 -16.884 0.968 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 9.601 0.006 -7.289 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 14.792 -7.175 1.568 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 11.116 -5.034 -2.721 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 3.186 10.778 -4.795 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 9.963 15.552 12.684 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 -5.723 -7.159 -2.207 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 6.069 -1.738 0.517 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 30.619 1.226 -14.483 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 29.009 11.590 19.658 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 -3.299 -1.396 -4.697 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 -12.972 -8.271 -17.067 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 -5.220 -11.611 0.063 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 -7.912 4.467 -8.046 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 -24.337 14.663 -14.179 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 -16.166 -10.312 3.212 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 -7.274 -3.978 -3.485 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 -11.720 -1.051 -15.431 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 -15.234 -4.248 -3.044 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 -4.784 -1.744 0.583 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 0.686 7.321 -4.998 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 -23.983 6.211 0.926 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 -6.879 -0.844 0.813 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 -7.906 17.571 6.673 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 -0.664 -5.791 -19.609 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 -4.887 0.220 -1.648 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 -20.939 -13.088 8.365 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 -14.389 -2.800 1.300 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 2.017 1.475 -3.606 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 -14.853 -7.572 10.278 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 19.116 -8.965 -0.499 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 4.325 3.526 11.214 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 -8.742 7.693 11.562 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 3.152 -8.861 12.797 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 -2.185 0.967 6.637 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 -2.134 -19.674 -1.867 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 -4.653 1.024 9.618 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 -1.208 -2.867 9.396 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 1.538 -20.845 -6.357 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 9.726 18.449 9.314 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 -0.574 1.373 -3.849 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 5.497 -18.991 5.341 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 2.780 12.782 -6.451 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 3.024 -1.272 -1.140 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 25.978 0.991 16.793 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 -20.422 -13.827 25.673 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 1.162 0.914 -2.041 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 -12.017 13.675 12.357 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 9.360 -15.968 -11.564 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 1.074 -0.194 5.308 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 -27.739 6.540 2.840 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 -44.252 2.131 -9.239 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 3.490 -2.647 -3.315 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 13.415 8.746 -11.007 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 14.397 -19.590 -0.723 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 -0.825 -4.059 1.965 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 7.184 7.963 13.079 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 9.033 1.849 -6.970 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 4.201 -3.226 1.105 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 5.299 -3.566 -0.441 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 7.538 -2.980 -2.082 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 -1.016 -0.501 8.357 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 20.823 -7.812 -5.560 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 7.577 -3.731 2.783 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 1.183 -6.112 -0.684 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 3.259 -12.132 -2.829 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 5.402 -2.432 -2.973 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 -4.558 -1.409 -1.288 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 12.786 7.594 11.969 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 -12.009 17.768 -8.102 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 1.806 -3.207 3.383 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 23.884 9.386 -11.939 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 9.228 2.331 -3.310 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 -3.698 -2.071 -0.802 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 -2.903 -11.740 20.314 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 14.537 -4.312 4.910 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 2.822 -0.384 -1.738 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 -1.487 -14.366 -11.209 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 -11.215 -22.364 -6.101 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 0.708 -4.547 -2.248 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 6.652 -23.794 -14.883 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 -5.500 -7.237 -3.044 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 4.569 -3.236 6.560 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 11.074 -1.820 18.285 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 5.557 24.558 -2.348 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 -3.488 2.656 -0.709 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 15.615 1.234 -17.185 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 -1.958 1.701 -2.511 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 2.110 5.544 -2.319 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 11.261 -0.040 -44.800 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 4.536 8.794 -4.277 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 1.311 2.908 -2.642 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 23.436 -4.843 -28.141 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 25.156 -20.299 15.700 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 1.658 -6.000 3.715 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 -8.402 0.781 -2.657 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 -4.349 10.838 5.916 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 3.810 -0.094 -7.660 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 6.724 10.891 -9.567 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 -6.070 -0.882 -9.354 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 -2.657 -0.470 3.184 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 -10.737 -3.058 8.161 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 -1.315 -13.221 18.909 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 -7.370 2.323 -3.280 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 -16.461 19.759 3.172 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 -0.762 -3.946 7.868 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 -0.705 3.287 -3.291 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 -2.052 7.646 -1.305 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 5.324 2.870 1.513 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 -2.122 -1.694 -1.747 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 -0.058 6.082 -5.039 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 28.831 0.744 -5.927 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 -2.129 2.555 -1.012 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 6.037 22.436 11.617 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 0.587 1.360 -6.190 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 -1.334 4.417 -3.086 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 16.304 11.450 15.302 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 2.441 19.739 -23.929 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 -2.506 5.622 1.624 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 -2.259 -6.985 5.855 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 14.002 -2.683 -2.801 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 2.902 -1.247 4.880 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 1.625 4.621 4.710 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 6.404 -4.314 3.938 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 -0.506 1.952 0.804 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 9.512 -11.416 -10.803 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 9.574 0.519 17.344 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 -0.075 9.470 1.658 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 4.482 6.201 2.844 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 -14.123 19.287 -3.472 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 -4.747 -4.025 -0.103 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 -3.253 -11.640 0.600 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -5.345 9.583 -1.862 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 0.131 -0.773 -3.591 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 -12.336 -4.846 -0.858 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 10.027 0.673 14.646 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 -5.325 2.832 -2.206 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 -10.059 3.250 -0.474 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 1.376 7.198 5.102 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 5.070 2.529 -2.272 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 -4.750 26.751 -5.711 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 0.651 1.376 -1.258 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 2.611 -1.291 -3.608 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 3.606 -0.969 9.278 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 -8.656 15.235 -8.001 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 0.642 -1.061 -2.995 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 -6.799 9.288 7.248 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 -7.847 -3.567 -3.161 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 -0.602 -7.280 0.934 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 -19.772 17.862 -14.659 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 -1.574 2.613 -2.708 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 3.106 0.056 -0.298 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 5.767 12.142 16.687 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 13.029 -15.258 2.381 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 1.217 2.790 4.124 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 6.254 -5.525 -1.373 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 -1.075 19.010 17.165 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 -1.997 1.562 0.039 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 -11.500 -13.409 12.386 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 -9.513 -12.089 -6.868 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 8.393 1.433 -0.509 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 19.789 -3.450 -2.015 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 -19.583 9.544 1.727 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 0.309 -1.308 2.127 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 12.497 -5.313 20.294 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 -9.271 3.120 -2.445 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 -8.393 -3.537 -2.277 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 -4.858 -8.190 -4.269 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 -11.208 -1.944 -6.218 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 8.523 1.441 -2.695 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 14.362 10.002 -23.595 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 4.564 -17.878 -10.754 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 -3.553 4.948 -3.428 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 -2.597 23.232 -5.715 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 -5.387 1.220 3.736 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 -0.126 -3.071 1.927 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 -4.832 -6.431 11.037 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 2.925 -10.038 9.636 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 7.926 -3.906 -7.473 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 11.219 -21.427 -13.766 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 12.624 9.125 7.651 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 -6.334 0.334 -2.889 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 -5.743 -8.650 -2.164 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 15.628 17.849 -3.877 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 -2.465 3.738 3.381 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 31.913 -12.636 -8.646 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 4.325 0.481 1.247 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 6.627 4.196 -3.731 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 27.974 7.763 -10.584 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 22.893 8.940 -11.302 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 3.137 1.530 3.258 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 -1.443 -0.023 3.842 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 -19.866 6.618 0.218 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 -0.650 -4.177 0.451 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 -24.555 4.096 -0.759 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 -11.145 -1.160 8.595 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 -0.346 1.266 4.319 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 -14.443 2.862 2.003 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 8.764 -3.455 6.199 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 1.636 -1.514 -0.439 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 -22.253 24.439 -17.193 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 5.966 10.986 -5.424 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 -0.170 2.437 1.776 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 1.425 -2.110 1.728 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 16.643 -9.898 17.004 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 1.066 -4.055 -4.417 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 -5.566 9.891 -18.396 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 -8.717 -19.237 -12.380 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 -4.887 1.024 -1.536 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 2.104 -3.917 4.998 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 6.280 1.559 3.540 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 -0.918 1.065 8.365 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 15.385 -9.968 -11.294 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 3.292 -0.909 4.585 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 -1.650 2.236 3.814 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 -2.507 -8.088 -7.829 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 -2.519 -15.150 -17.820 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 -3.039 -1.542 -0.077 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 -0.631 -3.064 -3.328 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 -12.360 -1.205 0.976 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 -0.519 5.165 -1.386 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 7.348 17.900 -1.411 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 -6.914 1.981 4.861 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 -3.132 0.379 -7.109 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 -10.048 -5.129 -3.807 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 5.991 10.895 -4.713 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 -0.685 1.595 -4.196 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 -7.180 2.940 8.500 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 -16.082 4.888 -19.363 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 3.867 1.342 -4.879 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 3.858 1.607 -4.372 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 5.141 4.280 -0.403 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 5.743 -0.192 2.626 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 14.779 -16.146 -10.448 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 -8.749 -0.893 5.305 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 1.913 -2.180 5.159 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 -4.142 16.543 -1.088 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 -2.860 12.527 1.981 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 -2.721 -0.051 2.079 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 5.825 -5.779 -9.950 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 -18.028 0.913 -4.147 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 3.113 -5.045 -4.100 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 10.051 4.258 0.894 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 -1.847 8.159 0.465 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 0.719 -4.305 1.500 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 2.583 -4.564 0.562 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 -3.290 -5.189 2.713 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 -0.869 -5.799 3.983 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 16.527 0.108 25.631 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 29.807 -2.981 -21.938 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 5.201 -3.418 0.425 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 -0.855 -16.690 5.356 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 7.878 -4.993 -11.764 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 -0.388 3.996 1.029 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 -23.303 2.674 12.565 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 2.697 -10.557 -29.871 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 -2.642 5.486 -0.835 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 0.171 20.985 2.215 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 5.092 16.954 11.150 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 0.287 4.625 2.487 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 -11.918 -0.307 5.195 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 6.514 -4.450 -4.846 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 -7.558 -1.012 2.579 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 -2.196 -1.580 3.006 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 8.701 -6.264 5.740 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 3.523 -5.225 3.927 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 -8.143 -0.040 -4.516 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 -3.490 -2.675 12.344 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 0.163 1.234 -1.717 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 -10.272 -7.360 14.753 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 -23.959 -6.960 4.438 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 0.804 4.805 4.468 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 -9.407 -1.899 3.676 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 -3.788 8.763 4.121 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 -2.861 1.258 -1.474 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 9.126 8.425 2.220 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 -6.748 19.343 14.340 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 -1.271 3.607 9.515 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 8.749 -7.178 1.593 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 -0.039 15.575 -5.074 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 0.160 -2.612 -1.299 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 22.364 -1.903 22.159 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 23.790 -15.500 -10.773 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 -3.978 -6.032 -4.012 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 -14.261 -21.187 3.546 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 -3.740 7.932 10.318 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 0.246 6.205 4.770 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 -9.154 -10.187 -1.063 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 3.727 3.640 18.913 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 -0.544 1.404 -4.178 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 9.683 -4.068 4.098 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 5.038 0.949 3.131 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 1.104 -1.002 4.589 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 28.916 -9.709 5.942 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 -17.253 -20.268 -10.283 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 4.617 -1.774 0.302 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 14.080 3.602 5.186 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 22.445 7.681 9.422 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 -1.605 0.666 -5.606 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 -6.441 -11.595 -0.458 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 -12.436 -5.745 4.246 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 -1.684 2.938 0.960 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 -2.727 7.767 20.932 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 -0.276 14.207 0.051 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 3.167 11.996 -3.252 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 23.301 -21.533 -3.825 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 -22.757 19.833 12.808 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 3.960 -4.414 3.158 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 4.121 -10.257 -5.120 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 1.345 5.171 15.963 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 -6.213 -4.613 1.194 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 -8.003 -5.681 -0.220 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 -3.720 -5.451 -7.080 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 2.706 1.770 -0.438 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 12.194 5.496 -9.297 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 7.425 -11.641 0.512 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 -2.519 7.784 1.390 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 5.115 -12.192 -1.945 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 10.398 -6.191 1.562 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 1.322 -1.950 7.713 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 6.820 -2.269 -1.327 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 14.419 -10.897 3.603 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 -2.812 2.504 -1.683 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 11.767 -19.729 0.600 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 2.269 -8.844 1.828 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 1.024 -0.935 2.688 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 -19.969 -16.455 11.690 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 -10.427 21.789 -10.431 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 -1.145 -3.246 4.081 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 -20.297 -0.411 12.768 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 19.585 2.358 -21.713 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 3.026 -5.245 0.533 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 -11.754 1.322 7.111 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 -2.762 0.585 -1.979 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 -1.667 -5.151 -0.178 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 3.519 12.916 1.171 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 11.375 -23.841 -21.723 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 1.796 3.565 3.419 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 -5.613 -10.241 17.431 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 10.331 7.890 -11.125 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 -0.969 1.365 -9.261 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 -26.153 9.112 9.010 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 -5.128 1.067 -10.240 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 1.466 5.529 -1.837 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 2.502 16.788 9.242 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 11.078 -10.191 -5.143 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 -1.460 1.923 2.111 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 -19.332 4.901 10.102 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 -28.631 -4.829 4.844 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 -1.558 -5.217 -3.698 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 1.875 -3.786 -1.062 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 -16.729 -0.428 18.074 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 4.128 0.620 -0.741 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -7.184 0.111 16.502 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 8.055 5.770 -4.617 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 -2.770 6.601 -2.566 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 -5.673 -22.505 -5.899 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 18.239 16.256 -30.730 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 0.785 -1.796 0.560 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 -22.801 -3.094 -9.148 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 8.647 2.799 12.516 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 -5.371 -8.456 -0.617 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 -3.814 22.825 8.858 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 4.937 -9.814 -11.298 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 0.774 -3.433 1.504 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 -6.346 -12.798 3.319 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 -13.895 -18.497 7.887 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 -3.790 -2.534 4.433 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 4.833 13.315 -1.080 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 -13.936 -7.014 0.570 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 -1.793 1.446 4.020 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 8.949 9.228 -1.752 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 -4.168 -4.367 -0.844 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 -1.901 -3.450 -1.238 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 16.927 7.310 -4.074 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 -14.573 -14.177 -5.957 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 -0.683 -2.481 0.896 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 16.672 2.631 8.110 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 -31.013 -2.210 -8.106 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 1.184 -4.662 -3.656 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 10.092 -3.911 -8.563 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 13.365 -21.181 -8.493 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 -7.013 -0.886 -1.376 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 -18.668 -0.683 11.498 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 16.805 14.354 -11.914 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 -0.137 1.688 -4.769 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 -4.430 -5.220 -28.821 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 -5.120 5.026 -17.067 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 0.398 1.335 -3.330 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 6.358 0.133 -21.797 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 -18.968 19.940 -4.166 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 -3.114 -0.205 -0.760 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 -0.885 -7.965 5.359 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 -5.873 1.622 1.023 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 2.867 -0.542 -5.025 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 -4.440 -3.757 -3.329 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 31.808 44.659 5.351 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 3.064 -2.056 6.268 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 -1.964 12.249 0.809 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 -4.779 9.079 1.241 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 -9.724 3.101 -7.721 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 -22.111 9.863 -8.072 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 -13.979 -19.041 22.369 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 -2.397 5.888 5.944 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 -6.078 14.245 19.836 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 18.689 8.775 4.423 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 0.028 -0.884 2.852 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 16.070 8.102 2.302 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 -7.855 9.430 -7.171 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 -1.557 -3.945 0.890 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 6.598 -19.790 -24.449 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 -27.820 7.865 -8.760 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 -1.756 1.207 -0.416 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 23.266 1.895 -16.887 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 9.352 -3.723 -5.734 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 -1.979 4.901 2.484 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 -2.410 5.946 8.330 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 2.693 -2.295 2.680 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 -2.644 -7.168 -2.397 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 -6.991 -17.603 0.886 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 -10.185 -5.451 -8.384 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 -3.098 4.436 2.114 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 -5.231 7.321 9.457 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 -8.123 6.756 0.882 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 4.650 9.162 -3.250 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 -13.711 18.310 1.578 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 18.997 -0.467 1.868 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 -2.329 -4.335 -1.574 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 -6.147 -14.692 10.656 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 -5.628 -12.524 8.431 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 2.707 1.296 -2.721 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 2.278 16.889 -18.549 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 -9.293 8.719 -31.271 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 0.712 0.707 -4.824 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 -9.221 -0.353 6.501 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 -24.854 3.139 19.041 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 9.466 0.015 -4.147 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 8.320 3.530 17.105 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 33.553 -3.913 2.587 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 -2.282 -1.366 -4.591 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 -15.893 -10.881 -16.046 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 -0.220 -2.578 -8.721 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 2.705 4.434 -3.143 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 -12.773 -4.064 4.515 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 -24.172 -2.258 -10.367 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 -1.276 5.514 4.836 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 -1.335 7.174 5.120 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 -0.535 6.879 2.053 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 3.308 -5.053 -5.607 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 -18.306 30.885 -12.859 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 -7.069 15.227 -12.310 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 -4.077 -7.620 3.687 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 -11.453 -6.554 8.816 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 -5.926 -14.494 -1.123 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 -4.371 0.155 1.455 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 2.446 -5.337 0.872 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 -8.980 -2.509 -13.334 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 -4.276 -2.699 1.820 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 -5.445 -6.351 5.952 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 2.770 2.235 -0.220 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 -6.694 -3.819 2.619 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 -4.735 -6.044 4.534 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 -13.191 5.666 -6.061 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 -2.004 -0.306 -3.704 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 -9.387 3.969 -10.087 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 -0.535 -11.528 -11.680 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 -6.419 10.431 6.080 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 -12.477 7.989 -0.135 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 -4.104 -1.735 9.063 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 -0.484 -1.191 -4.736 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 -3.463 5.224 -5.899 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 10.347 -6.616 5.333 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 -7.180 2.483 -1.636 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 -6.931 17.341 -2.665 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 -0.686 -5.539 -1.387 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 6.830 1.380 -7.345 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 9.441 -6.821 -6.728 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 15.644 19.178 7.657 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 4.981 -1.279 3.436 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 -2.175 -11.287 16.548 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 0.113 13.892 -8.451 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 0.906 -1.352 6.798 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 13.692 -20.730 1.572 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 -11.810 0.804 -11.622 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 -0.719 5.378 4.279 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 2.166 4.864 -15.030 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 -1.543 24.482 10.211 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 -0.813 -3.121 -2.323 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 4.875 -3.880 -24.064 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 -23.608 0.604 -10.214 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 -9.710 -3.936 3.537 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 -7.330 -4.820 3.304 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 7.383 -22.313 1.340 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 1.065 3.686 6.869 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 -8.047 20.264 4.154 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 -7.073 -7.011 18.004 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 4.118 0.815 1.384 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 12.502 7.469 -14.311 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 -19.250 24.233 -2.997 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 6.304 -0.938 -1.047 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 -8.052 5.036 -4.360 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 16.945 -2.831 2.926 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 -6.363 2.170 7.323 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 1.865 17.927 31.228 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 -4.600 6.852 8.055 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 0.657 4.055 -1.649 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 2.471 0.724 -18.603 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 4.028 -13.827 3.109 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 -1.229 -1.723 4.640 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 0.547 7.276 2.529 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 0.077 2.341 0.726 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 -3.824 5.911 0.745 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 -3.896 2.676 0.610 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 -6.311 -2.295 -3.792 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 -4.047 2.943 0.357 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 -0.410 -3.538 8.158 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 -0.096 -3.498 12.721 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 1.888 3.235 -2.806 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 -17.909 -12.607 7.646 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 16.731 16.173 -10.535 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 -0.675 3.139 -4.940 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 -5.809 14.169 -28.332 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 16.388 -3.728 -5.327 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 1.353 -0.033 -0.297 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 -15.081 -25.352 3.815 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 -11.982 17.847 -5.298 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 -4.676 0.460 -2.263 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 -6.625 -0.625 10.220 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 21.286 4.924 -19.245 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 4.850 -0.464 -5.590 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 10.266 -9.329 -7.374 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 18.240 6.582 -18.525 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 3.002 5.360 -1.001 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 -1.392 -9.432 -24.121 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 -21.134 -5.130 19.798 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 4.130 -1.086 -1.684 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 -1.555 -24.756 28.327 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 1.348 5.703 -19.677 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 -2.154 2.269 2.430 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 -8.926 11.072 11.853 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 11.474 2.142 -9.264 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 -2.895 3.120 -0.356 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 -4.013 -15.259 -10.059 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 -3.299 -5.660 12.875 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 -0.498 -8.282 0.965 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 -8.839 10.556 0.961 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 14.474 1.650 -5.751 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 -0.007 0.765 -1.808 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 -6.207 -24.378 -7.216 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 -16.328 11.112 -1.408 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 -3.978 -1.833 2.681 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 17.464 -6.382 13.156 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 16.553 -10.215 -10.012 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 1.268 2.081 -0.104 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 -9.512 2.580 -9.611 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 0.971 11.291 4.664 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 2.541 5.369 -0.108 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 1.704 -8.246 13.755 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 4.023 9.203 -8.133 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 -4.301 -4.846 6.369 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 11.060 -4.432 -18.391 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 -6.264 -11.652 21.254 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 0.220 -0.913 -3.832 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 -8.067 -17.200 8.698 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 -11.285 25.269 0.901 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 -5.417 -5.395 1.921 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 7.970 10.178 8.751 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 17.328 2.778 4.266 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 4.566 -0.279 -1.739 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 -2.327 3.391 24.946 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 -7.165 23.442 -24.891 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 0.152 -0.211 -3.549 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 15.616 -16.803 -5.527 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 15.661 1.234 9.269 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 -2.770 0.749 6.760 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 21.922 -1.193 -12.316 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 3.805 14.733 -2.052 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 10.113 -3.659 1.481 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 -9.890 15.402 2.471 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 40.435 3.987 5.008 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 2.957 -5.539 4.062 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 3.611 -0.563 -6.656 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 6.169 -1.724 9.532 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 2.442 -8.404 -0.222 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 -0.444 11.963 0.546 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -10.035 -9.314 9.802 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 5.000 4.700 5.813 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 7.193 -10.053 4.596 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 -9.851 15.011 13.669 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 2.988 -1.225 -0.333 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 0.054 -4.362 -2.314 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 -2.057 -1.718 -5.600 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 1.984 -0.730 -3.791 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 1.260 4.153 -11.248 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 -1.525 1.604 -6.982 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 4.667 4.852 -4.567 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 9.388 -6.051 9.541 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 -1.903 -7.283 4.021 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 -7.317 5.345 4.432 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 2.718 -11.868 6.423 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 -16.708 -9.079 10.197 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 4.242 2.372 -1.599 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 4.611 19.914 4.150 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 -8.451 -6.152 7.938 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -4.973 -6.774 1.334 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 -3.808 -9.788 -2.712 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 -15.516 9.461 -10.240 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 4.048 0.497 -2.256 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 -4.157 -4.167 -14.151 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 -5.004 -0.981 6.901 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 2.055 2.064 -3.944 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 -10.647 -2.215 2.036 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 -5.537 4.090 -21.148 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 -2.003 -3.097 2.896 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 9.752 -18.663 1.019 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 15.740 -6.227 12.550 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 -5.727 5.233 3.306 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 -10.944 32.951 4.691 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 -0.127 9.097 12.755 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 3.481 -4.526 11.843 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 7.378 2.976 13.440 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 8.807 -9.241 -5.109 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 0.290 -4.531 0.771 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 -10.990 -20.187 -15.457 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 25.125 -2.211 -9.652 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 -3.032 3.052 6.376 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -7.607 2.267 -7.086 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 9.348 -5.434 21.678 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 1.076 -1.161 4.580 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 30.708 -6.730 -15.680 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 -11.068 -13.683 -17.076 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 2.984 -2.521 3.290 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 6.535 0.953 -3.316 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 -4.128 2.258 5.791 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 -2.951 -0.452 0.332 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 -2.927 0.082 -0.582 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 -3.224 2.862 -5.077 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 0.774 -5.830 -0.909 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 -3.766 -5.028 24.556 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 -5.318 -2.479 -0.079 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 0.183 2.348 -1.332 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 11.583 -19.782 -24.276 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 -14.999 -2.170 7.530 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 -3.881 1.435 3.240 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 -9.637 -8.143 -8.393 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 -22.204 18.686 -9.647 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 3.451 1.319 -0.938 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 3.916 2.928 -5.217 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 8.341 -10.044 6.759 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 1.566 7.489 4.514 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 5.929 -24.844 5.642 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 -5.123 4.512 6.388 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 -2.259 10.687 2.671 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 15.198 6.891 -29.980 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 -13.500 -27.116 11.215 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 -4.118 -1.155 -0.106 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 6.089 8.158 11.917 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 -14.388 -1.440 -0.726 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 -2.532 3.127 3.307 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 19.000 5.166 -5.242 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 -9.906 0.636 -2.423 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -5.581 1.705 -3.089 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 -6.654 6.338 -5.068 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 -11.059 0.190 -4.015 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 0.891 -1.417 2.700 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 -27.759 -22.748 -14.262 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 -1.903 -6.161 2.152 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 -2.747 -11.625 -5.366 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 -9.013 7.778 10.126 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 -3.125 24.378 1.407 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 -1.566 1.023 -1.933 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 -10.525 14.416 -1.604 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 13.189 -3.424 -6.304 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 1.575 5.127 -0.696 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 10.499 4.415 -4.038 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 24.870 -2.532 -12.424 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 1.233 5.997 -1.806 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 -4.328 3.556 -2.107 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 6.264 7.219 -2.305 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 -2.839 -1.313 0.467 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 4.231 -2.242 -22.906 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -23.656 -23.707 10.624 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 -2.770 -1.933 3.137 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 13.788 -9.601 3.836 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 -15.529 3.654 3.742 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 0.838 1.792 -7.935 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 7.028 16.770 -15.045 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 -2.171 6.605 -2.145 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 6.491 -2.897 -2.223 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 18.697 -8.643 14.168 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 -10.367 -8.132 5.454 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 -8.262 7.094 -1.185 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 -9.584 8.388 4.125 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 -2.234 6.521 -2.592 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 -4.795 -4.830 -2.587 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 -6.594 -16.112 -4.816 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 -9.676 0.284 -10.787 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 2.872 -6.660 -2.566 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 15.623 3.056 -6.639 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 -5.143 -9.230 -6.092 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 1.133 -8.537 -2.501 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 0.910 13.967 -4.982 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 -1.579 18.176 1.013 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 -1.269 -3.909 0.962 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 -11.289 0.213 -8.159 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 3.195 -10.290 7.160 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 1.499 8.386 1.939 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 -0.326 0.810 -2.974 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 13.303 6.753 7.847 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 2.269 2.137 3.043 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 -20.980 -2.527 -6.093 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 -12.847 6.514 -6.570 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 -5.635 -3.020 4.614 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 13.126 7.675 -30.703 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 -0.182 -2.783 -27.014 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 -5.271 -0.718 -4.094 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 -14.873 1.868 18.977 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 -42.551 8.686 -19.557 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 2.180 8.005 -2.475 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 7.520 14.040 5.458 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 -6.096 -0.440 -9.530 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 -5.064 3.019 -0.896 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 -18.223 4.235 -0.890 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 -9.339 4.174 9.268 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 1.250 1.458 -3.039 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 13.318 2.775 -1.207 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 -3.814 0.417 -4.282 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 -1.909 -0.497 7.618 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 6.554 -14.605 2.865 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 -13.605 -2.967 -8.676 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 0.437 -3.439 0.096 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 17.916 -5.232 -6.575 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 -20.581 7.069 14.110 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 -5.488 -0.394 -1.494 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 2.171 9.267 16.919 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 13.145 -11.387 12.885 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 0.020 3.527 -0.594 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 -4.286 1.364 13.158 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 9.032 -4.746 -15.517 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 1.095 2.814 -7.126 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 -8.300 -14.897 14.030 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 18.272 19.070 14.688 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 2.431 -0.563 -2.087 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 5.635 1.142 -4.088 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 -13.111 4.896 17.984 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 -6.806 6.164 0.760 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 -4.942 12.640 3.680 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 7.538 6.620 20.713 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 -2.405 0.206 0.704 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 -13.640 -23.355 -26.966 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 22.892 -6.984 4.198 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 -0.694 -1.591 3.791 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 7.184 -6.940 -0.219 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 -22.526 -12.632 24.724 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 -0.572 10.752 0.000 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 18.148 4.038 -28.011 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 2.787 -0.338 7.210 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 -0.230 2.056 -1.399 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 1.616 14.130 -14.915 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 -5.955 -2.903 9.838 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 -0.045 -3.014 -2.022 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 -6.077 -0.370 2.553 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 2.678 11.097 3.277 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 1.239 -0.059 3.271 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 7.436 -0.454 7.428 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 16.422 2.983 -4.382 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 -2.075 0.935 2.530 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 13.392 0.092 4.048 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 -9.028 1.524 3.298 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 0.184 -0.326 -3.883 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 -8.701 7.756 3.737 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 -2.817 -11.713 -5.878 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 -2.793 -1.406 -0.245 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 -13.353 -4.233 9.730 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 -12.930 -2.609 -5.226 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 -5.321 -2.111 4.977 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 5.198 12.331 -2.982 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 -23.748 -25.047 -1.844 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 -2.556 0.842 9.541 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 -0.977 -38.081 -4.028 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 16.060 3.738 5.321 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 -2.621 1.702 4.054 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 -2.290 -8.540 14.110 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 31.423 -21.687 5.966 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -2.327 -3.813 -2.923 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 -3.062 -3.564 20.263 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 -3.293 1.176 -6.632 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 -1.292 4.521 -5.912 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 4.724 -4.286 -7.886 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 -10.053 2.858 2.081 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 -1.879 0.997 -3.583 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 23.856 -8.308 -7.085 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 -0.586 -0.590 -33.939 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 1.373 -7.310 2.137 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 28.551 -4.486 -10.953 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 -14.484 12.285 26.887 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 -9.329 1.226 -9.038 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 1.787 4.035 -35.881 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 -2.139 0.913 8.229 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 -0.351 -2.866 4.702 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 23.009 -0.012 -11.422 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 -2.998 -0.882 8.561 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 5.006 -0.705 3.099 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 0.721 0.520 3.668 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 4.566 -4.668 3.227 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 0.644 -1.359 3.861 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 -10.101 9.234 11.068 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 11.492 -12.036 -4.889 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 0.396 -2.663 8.168 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 -22.846 9.728 9.022 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 -3.081 -26.080 25.648 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 8.218 -0.564 -1.859 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 4.827 -7.541 -5.068 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 -1.705 -1.670 7.916 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 0.677 -0.541 -3.562 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 6.804 3.791 4.867 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 21.119 -10.023 4.616 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 -3.305 -2.019 6.325 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 -2.043 -11.721 8.342 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 3.682 3.305 0.219 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 -3.491 1.010 -7.656 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 14.622 -9.068 -3.089 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 -20.515 -9.502 5.559 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 -8.605 3.016 -0.547 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 -12.902 -9.033 -23.479 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 -31.948 5.518 14.745 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 -2.219 -1.586 -4.295 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 -16.779 -29.143 4.881 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 2.684 8.329 -19.885 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 -0.551 -0.668 4.777 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 -17.447 -9.575 -16.139 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 -8.098 -11.909 -7.729 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 -10.253 -5.119 -1.304 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -13.526 3.657 -14.009 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 7.490 -3.062 12.363 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 -7.841 -1.354 3.384 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 -0.815 12.471 13.550 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 -3.632 2.215 -10.034 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 3.404 1.110 -2.947 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 24.161 12.090 -13.571 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 -6.753 -5.647 -8.599 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -5.964 0.212 -3.303 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 -0.436 6.737 -6.461 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 -10.464 -1.861 12.946 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 -4.178 2.198 -4.488 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 12.605 -15.888 -4.407 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 -9.572 31.523 -12.173 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 -0.604 -2.652 0.866 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 -4.059 0.829 2.782 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 -10.750 10.766 4.759 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 0.568 0.385 9.505 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 5.227 -10.908 13.147 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 -2.740 -5.525 11.397 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 0.988 0.025 -3.228 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 7.370 8.393 3.045 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 -4.357 -8.407 -8.767 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 -4.879 -0.538 6.986 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 -8.178 -3.062 9.500 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 -3.601 10.264 3.429 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 -3.967 0.762 2.327 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 -2.644 -1.974 -1.054 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 -4.208 -16.273 -12.283 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 3.541 -0.201 -1.275 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 -25.392 -14.929 -0.890 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 6.111 1.102 15.025 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 3.785 -1.438 4.231 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 3.945 -5.669 -1.029 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 2.540 -6.844 9.545 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 -2.463 -0.358 -1.753 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 -21.173 1.854 -22.445 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 4.126 -1.611 6.305 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 1.310 -4.126 1.374 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 5.669 -10.304 -11.360 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 6.878 13.980 -2.619 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 5.872 -3.315 -3.464 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 18.796 -13.163 -13.556 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 4.386 -16.966 16.015 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 1.338 2.225 -0.654 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 -1.281 -2.173 4.460 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 11.163 2.789 -16.150 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 -1.435 2.262 2.058 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 -9.310 -14.309 17.058 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 -10.042 15.468 -16.825 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 1.529 5.392 -7.166 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 -3.907 -10.753 1.014 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 23.665 20.626 5.476 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 2.584 -6.086 -3.182 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 3.159 -11.672 3.574 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 0.566 -8.437 7.940 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 2.926 -6.485 1.186 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 -14.379 6.734 -10.578 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 12.439 0.353 -9.587 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 -5.061 -1.004 -5.559 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 -6.527 -16.843 -17.534 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 -2.318 -6.634 7.844 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 1.880 4.194 1.087 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 -2.868 9.490 23.709 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 14.625 1.722 -16.623 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 2.392 5.587 -0.787 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 -3.606 22.077 -2.581 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 19.704 -1.184 -3.705 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 1.520 6.288 1.954 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 7.107 4.916 2.436 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 -5.540 11.607 4.197 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 -0.344 -2.535 6.018 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 -5.723 11.086 27.537 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 -10.204 13.255 8.027 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 1.954 -2.787 -2.116 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 8.516 -2.199 -0.721 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 -0.287 -2.433 -9.033 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 -3.927 -0.750 3.997 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 9.563 8.318 8.930 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 -22.087 13.487 -9.116 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 -2.891 3.991 4.708 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 23.168 -15.167 -7.266 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 0.962 6.872 -33.692 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 -5.460 -5.472 -2.331 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 5.063 1.426 -29.949 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 -17.819 4.680 1.722 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 5.522 -5.338 -3.944 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 4.885 25.734 9.071 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 37.348 -11.564 -11.519 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 0.841 -0.855 2.540 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 5.951 -1.663 2.684 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 16.497 -1.731 10.927 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 3.571 -2.134 1.632 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 6.861 -6.556 -1.604 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 -4.328 -2.515 -5.619 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 5.276 -2.809 -2.266 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 24.267 5.547 6.524 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 3.897 -3.285 -2.517 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 5.997 -5.583 -0.165 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 -3.254 -13.116 -1.725 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 18.252 -11.138 7.253 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 0.805 1.126 -3.263 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 10.717 -14.602 0.445 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 -12.355 -4.887 -15.588 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 -1.162 0.296 -1.380 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 8.155 -7.818 6.198 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 -15.870 10.117 4.004 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 0.907 0.212 7.987 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 -16.744 11.709 -12.556 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 13.496 -8.339 15.826 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 -4.557 2.674 -5.221 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 10.233 -4.031 -8.267 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 2.768 -1.673 -2.288 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 -3.109 2.680 3.746 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -0.825 20.287 -12.329 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 -8.888 7.783 10.529 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 -2.649 -3.373 -5.247 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 -12.031 1.950 -7.196 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 -1.475 -12.363 1.950 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 1.371 -4.648 1.626 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 -1.373 -12.023 19.291 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 -8.212 -8.574 8.849 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -3.713 -6.027 6.613 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 4.008 -7.001 10.154 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 0.346 0.858 4.469 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 -0.860 -2.964 -5.567 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 0.271 -3.931 -3.419 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 -24.306 35.319 -1.361 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 -1.457 0.781 3.019 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 -9.218 12.972 6.975 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 8.356 0.454 19.200 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 -3.947 -3.037 -2.265 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 -1.186 -19.334 8.871 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 -0.452 9.249 -6.283 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 1.618 -2.147 7.410 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 -0.169 22.466 -2.263 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 -3.395 2.053 -0.406 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 4.341 7.470 -1.464 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 -9.658 19.115 -14.261 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 -8.500 -8.351 -10.856 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 5.805 -5.838 2.794 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 17.213 -2.208 19.664 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 -1.476 -26.337 15.220 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 3.535 -3.756 -1.364 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 5.809 1.591 -6.296 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 4.152 -2.173 -2.887 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 -5.313 -2.508 -1.875 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 -14.245 -6.218 -6.117 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 -25.403 1.505 -21.806 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 3.318 -4.043 -7.216 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 15.432 -6.066 -2.459 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 3.598 -15.090 -12.369 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 -0.973 3.189 1.647 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 -5.260 9.083 -8.869 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 12.116 2.706 8.564 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 -0.725 -0.462 -1.009 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 10.099 3.425 5.745 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 -0.452 -12.582 -2.167 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 -1.385 8.218 1.099 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 -1.497 0.443 -4.416 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 7.131 -2.118 7.108 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 -4.031 -2.048 0.339 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 0.112 -12.778 -4.490 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 -13.504 18.706 -22.350 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 -2.807 -0.866 5.307 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 -7.198 25.380 -9.951 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 -5.721 29.676 -15.766 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 1.677 -2.443 -5.500 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 14.133 0.930 17.998 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 4.728 2.814 -0.716 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 7.586 0.579 4.201 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 -6.432 -7.091 -2.644 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 1.582 14.218 -13.119 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 0.638 3.414 -0.623 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 0.418 10.528 -11.394 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 4.602 -15.142 22.510 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 -1.038 -2.549 0.052 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 5.961 2.167 -8.095 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 1.203 6.685 -5.642 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 2.232 -2.204 -0.445 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 4.865 -0.485 2.452 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 19.767 0.387 5.276 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 0.206 0.413 -0.364 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 -20.429 9.594 2.177 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 -0.449 1.880 1.480 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 -5.064 -3.646 1.794 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 9.547 1.030 -1.738 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 -27.572 -8.679 7.037 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 2.860 2.092 0.162 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 18.550 17.118 23.886 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 9.451 1.413 -27.170 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 -1.745 2.291 1.377 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 -6.604 8.416 6.928 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 -13.776 17.243 16.889 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 -4.699 -2.569 6.620 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 -0.796 -6.332 38.819 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 16.758 -1.304 10.456 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 -2.371 -3.790 -0.859 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 1.033 -6.431 -3.243 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 8.059 -6.540 -12.274 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 3.977 5.258 7.811 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 10.437 23.793 -15.309 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 6.860 0.511 -7.523 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 -0.212 0.326 -7.959 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 6.454 -18.538 -8.150 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 5.327 4.465 -14.769 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 -1.502 -1.974 11.159 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 -3.984 -7.121 -3.760 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 -15.622 7.272 15.767 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 -1.067 4.353 0.352 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 -8.598 -3.185 13.437 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 4.593 19.759 15.762 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 -1.537 -0.156 1.165 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 -4.120 -9.349 6.364 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 -2.891 10.465 8.928 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 3.347 3.442 -1.445 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 8.120 -0.971 2.696 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 -1.945 1.051 4.409 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 -0.987 1.668 -1.169 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 -0.771 11.397 6.968 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 0.366 -10.319 -12.289 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 -1.974 2.950 1.429 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 -19.317 -9.713 16.163 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 12.481 8.050 -13.943 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 4.344 -3.609 1.020 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 0.424 -12.183 5.145 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 -6.315 -0.419 10.280 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 -1.127 -1.008 -3.881 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 1.973 1.375 -15.435 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 0.280 4.037 -7.889 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 -3.275 -2.071 4.686 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 -9.094 -14.617 14.104 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 6.344 4.315 -4.418 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 -7.626 -5.281 -2.207 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 12.070 -8.511 34.977 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 -29.883 -29.265 7.594 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 1.751 0.818 -8.521 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 -5.773 -11.869 4.844 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 10.305 -1.978 -13.224 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 -1.532 3.435 -2.400 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 2.800 -8.291 3.610 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 5.105 -4.761 -0.730 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 4.157 -6.692 -0.782 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 5.509 -11.229 -0.232 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 -16.974 13.034 2.709 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 3.936 0.860 -2.923 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 6.729 -23.366 8.090 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 9.936 -0.983 -13.416 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 5.758 -1.285 -8.252 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 10.478 -7.718 15.562 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 0.296 -16.499 11.613 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 1.924 1.977 -6.380 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 15.843 1.007 -5.490 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 -0.438 -5.046 6.129 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 0.645 0.089 10.994 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 -3.191 31.217 -5.186 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 -7.126 -28.330 30.464 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 -5.040 4.693 1.327 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 18.136 -3.152 9.074 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 5.346 -3.259 -24.542 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 -1.521 -6.466 4.265 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 19.399 12.768 11.344 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 -11.689 12.733 -1.084 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 3.394 4.226 -0.699 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 18.262 -18.992 -19.818 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 -12.796 22.956 -29.544 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 -1.345 0.247 4.676 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 -12.886 -8.200 7.145 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 13.289 14.687 15.647 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 -7.592 5.613 -4.911 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 2.668 9.082 -4.443 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 -2.217 12.423 -3.039 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 0.984 5.562 7.411 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 -11.275 -8.457 0.189 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 -6.842 -2.607 8.482 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 -5.169 2.162 -4.398 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 -7.763 -10.122 -6.900 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 -15.374 -2.677 6.206 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 1.282 0.606 -3.131 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 -22.524 -1.121 20.504 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 3.996 3.411 16.647 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 -10.812 -1.327 2.961 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 7.179 9.355 29.392 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 -9.895 5.818 -4.603 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 -0.813 6.826 -2.669 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 8.392 -0.989 -12.920 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 -0.912 16.444 -2.493 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 -9.369 -0.381 -4.079 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 -2.902 0.581 4.180 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 -10.922 16.647 7.932 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 5.837 -3.451 1.095 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 -6.961 8.845 -6.312 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 -15.063 -1.466 -12.455 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 -2.208 1.997 7.624 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 -17.540 -1.289 3.900 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 -14.066 5.924 6.477 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -6.537 -7.313 -0.669 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 -16.875 18.707 3.340 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 -9.022 -2.579 8.555 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 -4.039 3.066 1.324 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 -10.697 9.753 11.125 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 5.828 1.394 -5.726 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 -1.108 -1.532 1.790 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 -4.039 1.384 5.881 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 -5.083 4.907 7.751 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 8.286 1.297 -8.005 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 13.025 0.585 15.763 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 13.854 6.012 -8.130 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 9.033 -3.506 -2.696 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 8.842 -17.515 6.674 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 12.608 2.195 -5.520 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 -7.929 3.915 3.464 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 -0.621 3.635 -27.144 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -8.953 5.485 18.304 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 -1.107 -7.238 -4.937 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 -4.456 -10.140 6.450 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 -8.379 -1.671 -7.156 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 -4.685 1.757 2.353 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 -1.050 -3.667 10.294 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 1.107 -7.004 17.429 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 -2.540 -1.271 3.567 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 11.198 -25.854 6.336 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 -9.257 12.261 -47.135 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 -5.143 2.372 3.480 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 -2.489 -5.467 -7.678 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -5.629 -1.417 -2.934 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 -0.931 0.100 -8.048 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 -13.931 8.770 -9.811 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 -12.109 -2.117 10.236 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 9.183 0.172 4.357 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 11.138 2.674 11.701 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 -7.720 -2.289 -2.202 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 -2.748 -0.791 -1.446 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 4.309 -14.949 8.173 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 -15.116 2.051 18.452 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 3.632 -1.713 3.995 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 2.451 7.049 15.201 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 1.782 18.844 -8.525 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 6.594 -6.007 0.079 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 6.679 -1.131 -5.972 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 8.505 8.975 -12.855 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 4.571 -4.506 -1.816 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 -4.591 18.829 10.750 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 4.151 -38.881 3.785 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 -1.884 0.650 -2.562 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 -2.903 6.524 22.249 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 21.991 1.271 -9.643 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 -8.387 1.132 6.410 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 6.734 27.409 13.576 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 -3.809 26.177 12.658 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 1.657 -8.677 -2.170 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 2.478 -12.860 -3.918 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 4.861 -5.742 2.667 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 0.615 -4.866 -0.117 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 24.388 -6.867 -20.451 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 -11.955 10.480 -7.241 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 -0.082 -5.765 8.790 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 7.076 8.852 -1.938 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 -18.020 -0.646 13.060 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 0.965 3.443 1.645 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 10.375 9.474 12.389 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 0.246 10.612 -3.883 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 -7.092 -3.006 -1.934 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 -3.930 -2.616 -7.469 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 -9.720 -2.917 3.136 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 7.416 0.152 -3.464 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 12.333 2.448 -3.123 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 -10.742 -29.081 11.502 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 3.540 1.233 8.956 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 -13.447 8.956 6.222 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 13.925 1.269 -5.956 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 2.000 -2.382 1.955 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 2.737 -7.446 -13.598 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 -16.332 2.118 4.849 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 3.052 -2.523 1.664 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 4.121 -5.545 -3.991 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 -26.326 -12.743 -18.382 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 -5.676 -1.825 -4.838 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 -2.697 -0.633 -9.206 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 -10.393 -0.955 -6.129 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 2.807 -1.096 -2.229 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 -0.546 -10.314 1.798 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 -3.820 3.144 -12.523 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 -2.424 1.515 -0.581 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 -7.087 -0.653 1.274 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 -4.075 -0.479 4.561 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 -1.049 -2.949 -2.662 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -7.766 -1.301 33.331 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 0.791 2.882 -21.805 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 2.545 -5.435 -4.567 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 6.344 -30.044 -9.436 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 -14.312 -43.225 15.853 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 -5.986 -5.409 10.125 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 -2.094 -5.397 -5.453 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 -22.034 -25.028 4.500 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 -0.564 -5.645 2.140 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 -2.337 4.713 16.764 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 5.880 -10.021 4.751 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 3.483 -2.418 -1.423 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 8.319 10.800 -0.244 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 9.034 -18.543 -11.826 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 -0.088 5.603 -0.126 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 -0.490 9.847 22.592 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 -16.425 4.600 -17.373 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 -4.835 -1.160 -1.476 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 -0.968 -5.404 -1.895 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 18.209 2.632 -24.897 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 -2.561 0.402 0.925 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 12.949 6.403 16.480 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 12.586 0.533 21.798 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 2.856 -2.408 2.513 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 1.017 1.273 -5.413 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 -0.048 1.865 -5.244 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 -1.265 -0.848 7.245 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 3.717 6.910 -4.850 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 -1.138 9.249 17.917 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 4.419 4.841 5.459 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 -9.793 11.461 -6.822 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 -3.877 -10.065 12.955 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 -1.089 -4.079 2.273 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 -4.460 -3.389 -1.704 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 -4.716 -18.965 9.730 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 -2.751 -2.893 -3.580 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 -12.549 -2.256 11.244 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 -13.423 0.093 7.751 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 0.104 1.847 1.036 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 19.696 15.118 24.597 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 -10.825 4.281 7.307 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 1.111 -1.179 -5.779 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 -12.121 -4.149 -0.384 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 -1.503 0.514 -6.250 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 -0.681 8.224 -2.544 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 1.578 27.433 8.253 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 21.398 17.722 -6.705 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 2.849 -2.714 -1.875 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 -7.104 -4.816 20.476 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 10.693 -4.129 -10.117 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 -3.397 -2.924 0.153 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 20.870 19.502 -7.441 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 -26.140 16.639 16.426 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 0.822 -4.474 2.831 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 4.495 19.948 6.092 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 -5.627 -4.396 -6.647 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 -1.478 0.749 -6.039 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 -1.141 -7.949 3.193 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 0.636 2.330 -4.651 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 3.942 2.361 1.705 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 -7.764 15.083 -0.807 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 -16.367 -6.095 18.860 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 5.990 -1.901 -2.855 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 2.269 11.468 -1.027 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 -2.964 -7.419 -11.532 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 -0.871 -1.206 -2.214 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 -8.697 -17.695 -2.978 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 2.155 12.853 14.342 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 -0.794 -1.936 2.755 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 -3.881 -3.190 5.039 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -7.590 -0.616 3.036 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 -5.197 2.395 -1.321 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 1.922 9.097 0.373 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 -4.083 -1.115 -5.196 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 -0.338 1.570 0.243 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 -14.787 -9.941 -15.067 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 -1.958 4.041 4.083 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 -0.584 6.050 -4.384 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 -22.787 0.288 -10.433 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 6.864 22.278 3.122 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 -1.923 -4.018 -3.985 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 7.853 28.584 -6.382 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 -17.348 -23.701 -8.288 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 -2.209 8.418 -2.279 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 -10.309 -9.206 2.155 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 0.682 -7.205 -20.278 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 -6.126 -4.144 0.958 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 -22.493 -12.391 11.864 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 17.061 -9.535 4.469 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 2.521 1.374 4.281 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 -8.655 -5.411 13.955 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 24.240 24.198 4.230 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 -1.101 2.048 4.180 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 -14.387 4.427 -3.698 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 -7.013 -6.467 7.213 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 -5.159 0.702 -1.726 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 26.051 15.629 -18.255 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 -24.391 5.206 -15.970 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 0.251 0.793 1.049 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 20.477 -22.879 -4.546 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 2.377 -5.556 5.027 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 -1.903 3.668 7.678 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 -5.019 -8.152 19.429 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 -11.431 -6.552 25.277 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 2.707 -0.093 -3.517 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 13.037 -11.167 -17.866 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 2.822 4.124 0.202 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 -5.849 4.392 1.281 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 12.921 -4.735 -22.488 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 -14.906 -2.341 -9.395 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 2.674 -1.151 5.165 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 -4.075 10.094 13.141 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 -19.524 6.532 29.952 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 -0.322 0.305 0.896 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 0.511 -15.040 16.878 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 -2.203 18.173 -16.882 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 -1.137 -0.257 -1.061 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 -7.245 -34.775 9.258 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 -15.048 2.070 -20.825 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 -5.332 -1.538 2.027 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 -22.386 10.466 -7.095 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 41.574 16.546 -6.247 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 -0.372 2.753 -2.656 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 -4.649 6.961 -3.744 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 5.012 0.727 4.565 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 -2.424 5.874 -4.569 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 -4.031 -1.474 -8.099 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 1.813 12.666 -2.793 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -0.510 -7.163 5.238 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 -13.284 -18.327 17.473 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 -32.085 7.256 16.621 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 9.900 5.146 0.260 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 -0.709 10.682 -7.839 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 -10.572 7.836 -23.430 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 2.749 8.020 0.717 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 -7.259 14.718 21.640 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 8.376 12.162 3.798 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 2.110 6.755 -7.023 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 -4.895 3.888 -16.221 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 -3.525 2.237 7.590 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 -1.325 -2.108 -0.475 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 -14.479 -10.110 19.225 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 3.536 -11.947 0.640 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 3.301 -4.909 5.475 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 4.007 -0.585 10.575 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 9.817 -12.877 18.544 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 -1.200 3.424 -3.869 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 -0.935 -0.274 -3.702 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 1.531 -6.480 -5.089 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 -1.248 -2.744 -3.842 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 6.869 -17.756 -10.493 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 -25.028 -6.191 -32.674 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 5.205 0.686 2.194 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 -12.646 -4.372 5.693 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 3.848 23.663 -11.130 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 -3.234 7.470 1.500 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 0.991 -29.572 -4.206 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 11.411 16.365 -12.607 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 -1.956 -1.929 -0.258 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 20.817 -4.068 29.946 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 -19.999 16.731 -17.630 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 1.377 -6.096 -7.303 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 1.261 -10.905 -19.886 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 1.390 -3.759 -3.910 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 3.990 -2.646 5.584 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 -8.944 13.975 -17.705 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 5.218 -5.993 0.218 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 -2.601 0.138 1.872 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 -9.600 3.309 10.161 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 -22.683 -2.332 -1.804 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 -8.284 -0.823 -3.448 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 -2.456 -25.556 -15.160 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 -13.427 -0.013 -7.993 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 -3.145 0.669 2.042 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 -2.791 -6.456 7.622 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 -3.819 17.477 -12.442 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 2.421 6.845 -0.684 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 0.901 32.757 3.212 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 22.602 -2.836 20.826 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 0.955 -5.710 3.138 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 -14.914 8.422 14.841 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 -12.779 -21.807 2.917 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 0.137 0.272 -2.125 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 -14.880 27.362 -12.364 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 -14.905 -7.734 8.561 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 1.517 5.227 2.204 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 13.578 11.839 -2.328 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 -5.007 2.637 4.585 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 0.003 4.430 -5.241 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 0.514 16.806 -21.894 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 -0.897 -0.152 -20.097 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 -0.745 3.080 -1.551 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 16.824 -12.977 4.778 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 23.436 13.278 2.055 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 -4.743 0.069 -6.744 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 -15.575 13.954 -10.627 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 2.058 9.971 -15.656 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 0.155 3.614 2.270 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 4.055 -11.783 -0.179 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 -5.928 10.455 -4.840 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 4.729 -2.356 -1.494 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 -2.552 -13.230 -4.612 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 -15.600 -5.858 6.041 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 -2.812 7.068 0.248 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 -2.208 6.924 0.020 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 -6.697 6.658 4.029 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 2.720 2.075 0.256 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 10.964 3.551 -9.823 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 10.265 8.381 4.062 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 2.755 0.096 -8.682 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 4.179 -7.672 -6.048 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 7.863 -12.225 -22.331 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 6.104 -5.407 0.630 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 -6.236 -8.107 7.867 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 14.118 3.572 20.353 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 -0.360 0.573 -4.277 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 -3.205 -0.390 -13.028 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 -6.126 -5.900 -1.741 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 -2.839 -0.726 0.211 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -4.363 6.339 -1.693 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 1.250 -19.241 6.601 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 -4.965 -7.939 4.056 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 -1.262 8.130 0.456 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 -37.139 -8.055 2.836 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 5.389 -7.690 5.071 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -0.902 2.230 8.208 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 -7.626 -11.624 11.397 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 5.939 -8.625 2.758 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 1.996 -7.096 2.748 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 10.169 -8.239 -4.293 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 0.702 3.832 0.316 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 5.776 -21.915 13.948 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 10.254 -2.151 -32.745 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 6.925 -3.184 0.879 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 13.236 -11.097 5.809 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 5.719 -3.864 -0.025 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 -2.827 10.516 -4.172 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 -3.747 10.519 -6.604 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 -4.404 8.896 -4.003 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 -0.279 -3.865 -8.473 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 12.447 9.052 14.466 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 -9.312 11.304 -18.885 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 -0.222 3.367 -0.945 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 3.199 2.163 -3.018 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 2.987 -19.782 -14.202 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 -3.770 2.313 3.794 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 -7.707 1.291 22.542 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 -3.900 -10.588 2.350 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 5.431 5.469 8.869 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 -4.996 11.966 21.336 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 0.685 -9.992 3.598 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 -2.023 -3.767 -0.625 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 -18.936 7.683 11.335 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 -16.149 1.286 -12.262 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 -4.416 0.900 0.380 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 -0.498 -0.789 24.686 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 -9.448 -0.219 -10.247 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 -3.514 4.068 1.629 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 16.693 -7.705 32.728 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 -2.211 10.242 -19.299 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 1.892 6.527 -7.215 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 12.644 -8.173 -16.278 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 4.390 17.368 6.394 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 -6.579 2.498 -5.980 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 -1.890 -5.056 13.464 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 -5.071 4.213 -6.340 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 -0.527 -5.351 -6.110 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 -7.467 -14.544 7.730 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 -11.137 -2.709 -20.595 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 -3.756 -4.980 1.667 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 0.293 0.616 13.491 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 4.171 -17.585 1.126 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 -3.103 7.807 -4.559 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 2.964 10.248 -9.119 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 -11.107 5.288 8.911 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 3.109 1.929 6.101 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 -1.338 0.402 0.598 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 3.161 2.456 5.774 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 -2.593 -3.357 3.068 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 -16.049 5.520 -22.113 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 -9.596 -13.602 -3.535 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 -0.751 -4.864 6.234 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 28.256 -2.855 14.954 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 23.906 17.213 -16.217 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 1.915 2.668 -0.870 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 10.356 11.962 2.277 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 6.005 10.236 -2.537 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 0.186 7.377 0.198 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 -14.744 -0.023 10.333 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 -9.806 -2.304 7.130 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 3.546 1.174 -1.530 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 -29.131 7.194 20.540 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 6.889 4.166 9.980 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 -2.038 2.494 5.673 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 -10.715 -6.121 -23.100 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 -3.528 -12.202 8.055 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 -5.964 -4.081 6.600 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 -25.441 -23.231 -21.398 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 -27.994 17.760 -1.333 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 5.850 -7.781 -0.878 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 4.361 7.299 1.130 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 6.284 -12.703 -1.689 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 -4.700 4.623 -4.286 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 -2.612 -4.542 -6.446 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 -14.860 -19.121 -25.369 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 5.337 2.844 -4.410 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 -13.149 -0.851 -14.998 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 4.480 7.478 -4.439 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 -0.130 -3.012 -1.541 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 -10.076 -27.136 -0.725 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 12.677 -2.443 -13.297 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 0.122 2.384 5.282 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 2.228 -7.787 16.275 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 -13.788 12.155 -14.735 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 1.028 -4.594 -4.194 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 10.009 -3.549 -3.154 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 -7.882 6.665 10.047 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 0.102 5.638 0.291 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 4.831 3.402 -1.659 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 -3.656 3.478 -4.028 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 1.160 6.446 4.488 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 7.657 -0.094 7.816 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 2.041 9.840 1.360 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 7.144 -0.205 -3.575 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 8.535 -1.727 -2.346 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 0.012 7.687 -12.988 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 -0.823 0.292 -1.669 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 -1.333 -5.127 5.696 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 5.524 5.293 1.816 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 4.762 -1.998 -2.521 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 -24.955 13.611 -2.358 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 4.830 2.430 -10.652 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 7.966 2.312 -0.796 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 11.484 8.602 -23.794 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 22.752 12.702 7.980 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 -8.198 5.840 -6.408 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 -21.995 -4.363 -4.131 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 4.375 -2.855 -3.312 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 8.507 -0.938 -4.348 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 6.253 1.848 6.484 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 -1.587 -1.500 -5.344 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 1.047 1.870 -2.183 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 -9.691 -3.980 -1.473 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 20.930 0.823 -5.783 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 2.832 -2.053 8.796 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 3.520 -3.624 -3.285 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 14.438 9.163 25.761 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 -5.284 0.393 -3.663 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 -7.736 11.848 18.939 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 -7.468 -0.112 4.844 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 1.632 2.992 0.019 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 3.266 6.520 1.806 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 6.183 -23.668 -18.056 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 -3.401 -2.206 -2.846 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 -14.388 -1.921 -18.065 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 -9.441 -7.037 -26.540 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 1.887 -6.455 7.597 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 -18.218 -9.787 8.157 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 -9.096 -13.682 -10.728 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 0.691 -6.404 0.874 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 -7.322 -0.026 -2.283 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 12.512 -1.574 2.366 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 6.259 5.038 1.762 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 5.876 4.737 -7.814 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 14.239 -9.899 -28.770 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 0.568 -0.461 0.047 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -7.442 -5.448 -7.447 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 -18.157 -21.640 5.953 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 -6.890 -8.241 -3.503 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 9.225 -16.181 19.407 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 -8.358 -16.959 -1.470 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 1.639 3.756 4.131 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 -12.284 -2.641 31.096 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 6.432 19.401 12.936 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 0.310 0.502 5.794 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 3.052 -6.514 2.161 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 7.338 11.818 13.389 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 -7.557 7.015 -1.466 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 0.512 9.672 -3.956 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 -10.155 1.187 12.931 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 2.058 0.387 1.395 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 3.735 1.338 3.026 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 3.940 0.006 3.160 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 -0.954 6.042 2.282 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 19.030 37.325 -3.331 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 13.594 -19.866 25.632 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 3.704 5.661 1.865 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 6.173 7.690 -0.096 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 7.050 -8.410 0.605 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 0.545 4.048 2.769 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 -3.635 4.191 -0.034 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 4.764 -0.506 6.333 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 0.820 2.177 -0.256 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 10.895 -16.852 -18.595 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 -11.682 8.325 -34.638 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 -6.023 2.008 4.688 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 -7.185 1.095 8.087 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 -3.599 1.026 -5.193 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 -3.921 -9.073 1.976 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 -0.168 10.606 -13.195 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 -6.746 -26.361 -7.649 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 -5.455 4.240 -3.101 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 6.869 -6.521 -4.331 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 9.172 -5.579 -0.015 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 2.822 -3.951 -2.817 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 16.246 -1.905 11.712 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 -0.123 -2.839 -9.166 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 -5.695 -3.715 -10.172 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 -0.588 9.636 -5.961 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 -9.149 -12.232 -12.982 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 5.211 -4.955 0.524 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 16.867 5.109 -3.118 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 4.010 -6.512 -1.932 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 3.249 -4.043 -1.118 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 13.112 -22.675 -20.368 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 2.527 -21.158 -8.141 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 0.784 1.088 -4.146 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 -11.165 5.919 -14.351 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 26.620 1.808 10.971 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 -1.429 6.846 -2.133 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 5.513 -14.164 0.949 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 6.166 -8.642 1.119 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 -0.815 -7.264 3.520 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 -11.343 -13.988 -13.311 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 -1.153 -9.259 8.381 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 3.553 -2.324 0.998 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 21.327 -4.759 -19.202 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 -11.011 -10.971 1.597 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 -7.484 4.078 -2.633 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 -14.221 0.427 2.706 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 9.075 -12.112 9.519 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 4.403 3.986 -0.670 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 -13.972 14.146 -3.785 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 4.229 -27.207 -0.982 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 -2.403 0.812 1.518 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 24.736 -38.074 -28.241 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 2.378 -7.476 22.370 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 -0.015 4.199 0.911 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 0.498 6.489 18.840 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 -7.819 -4.374 7.471 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 -0.322 -4.663 1.785 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 9.872 -10.661 -3.585 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 -7.770 -10.778 -7.530 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 -3.322 0.232 -2.971 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 -6.585 -0.859 0.554 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 -7.740 2.263 -5.756 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 4.340 2.331 -0.689 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 -13.510 -2.002 4.471 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 2.449 17.288 -14.276 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 -1.636 -2.812 -1.339 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 1.038 -3.064 -2.735 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 4.117 22.124 11.362 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 -5.023 -0.147 9.503 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -23.403 21.031 12.846 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 -17.708 19.192 15.183 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 0.191 0.516 -2.711 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 -0.130 -0.214 3.075 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 -2.631 -5.817 -7.456 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 0.169 1.212 1.497 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 -6.006 -1.258 9.148 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 10.031 16.038 2.604 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 -2.267 1.278 0.511 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 -1.442 -13.570 3.793 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 0.276 -27.021 6.586 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 -1.051 -1.518 -1.841 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 -10.002 11.049 21.407 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 -4.138 -17.750 -5.848 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 3.703 -2.082 0.516 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 7.294 19.725 -15.403 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 22.555 -17.929 -0.200 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 0.842 -0.707 1.452 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 0.427 -7.424 14.138 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 0.643 -0.328 1.773 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 2.085 -0.906 2.399 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 6.947 -3.366 7.755 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 3.769 7.515 0.657 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 -0.998 -2.684 -3.151 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 3.200 -3.860 11.732 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 -15.834 3.826 -2.221 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 -9.513 5.945 -5.111 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 -12.292 -4.322 -11.865 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 -18.561 5.838 5.912 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 -0.593 -7.323 4.066 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 21.917 13.894 0.541 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 -14.566 -11.798 3.260 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 -1.125 6.390 -2.234 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 -7.136 4.906 -2.894 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 -8.810 -13.694 -6.153 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 -0.865 -0.091 4.958 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 4.772 -11.933 4.353 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 0.516 6.250 3.494 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 3.213 0.969 1.830 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 14.782 5.755 -6.296 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 10.184 15.151 0.152 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 0.474 4.052 -2.155 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 8.397 0.912 2.580 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 -3.630 -2.760 0.577 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 1.648 8.415 -3.049 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 10.418 -2.097 11.430 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 15.590 4.421 -12.321 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 -2.926 4.582 -7.851 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 -2.097 -6.116 -13.730 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 1.551 -19.336 -17.867 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 -1.436 0.878 0.798 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 3.711 3.699 0.844 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 -1.779 2.158 0.354 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 0.369 2.240 1.284 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 16.189 3.786 2.317 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 -7.715 -0.181 -9.093 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 4.773 -3.933 -0.907 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 22.796 31.435 54.464 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 13.325 12.422 -11.154 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 2.354 4.817 0.294 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 10.455 -8.293 2.941 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 9.595 -7.678 -1.482 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 -4.938 1.913 1.860 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 -4.214 -13.226 6.786 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 -20.076 -5.767 -11.644 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 4.121 -2.346 3.515 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 9.115 -13.818 17.605 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 13.546 -17.028 8.869 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 2.595 -2.020 3.861 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 21.997 2.583 -16.294 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 -33.272 -8.323 -6.241 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 3.833 4.373 -6.138 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 14.884 2.533 -3.560 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 -2.256 5.280 13.476 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 0.559 4.104 1.014 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 -3.823 4.939 -4.960 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 5.330 9.772 9.200 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 -8.414 2.940 4.449 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 4.030 3.873 -11.356 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 0.928 1.238 -5.297 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 -7.973 -4.373 -2.191 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 16.136 3.828 6.785 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 -10.813 10.233 -5.172 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 0.603 3.668 -0.787 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 -3.481 1.629 11.324 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 11.041 2.514 4.322 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 1.844 1.974 -3.828 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 -19.061 -21.338 29.554 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 -0.635 -1.817 4.025 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 -4.488 0.557 -3.813 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 -6.489 -17.506 -3.961 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 2.306 -7.557 -3.361 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 -1.424 3.393 -3.370 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 -10.760 8.862 -3.257 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 -1.529 -0.105 -13.841 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 1.953 4.372 -1.278 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 25.393 -5.850 -16.295 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 14.742 -19.039 -5.099 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 4.752 -3.207 -0.967 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 -3.981 -19.724 -12.284 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 7.353 4.201 3.122 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 4.229 0.727 -5.493 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 6.535 7.178 -0.676 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 -2.600 -2.038 -0.335 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 4.750 -5.782 0.400 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 -9.393 -6.885 -12.934 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 -9.519 -7.667 15.850 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 -2.981 -5.436 -9.083 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 -10.047 -7.395 -6.533 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 -6.254 -13.675 0.116 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 0.818 -1.128 -8.164 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 -2.727 -13.425 -2.677 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 12.995 3.248 -9.293 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 -0.286 -3.022 -8.361 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 7.146 -1.188 -8.057 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 -25.446 11.099 6.467 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 -4.162 4.542 -3.072 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 -15.721 -6.599 -14.517 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 8.191 16.924 6.447 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 -0.668 0.142 1.994 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 -10.524 10.901 -8.030 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 12.148 -5.669 2.027 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 0.992 3.403 -5.008 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 8.789 14.350 28.367 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 -7.693 5.367 -0.107 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 1.121 3.488 -0.750 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 4.931 15.959 2.884 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 5.491 7.176 -7.593 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 -3.878 -2.543 1.155 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 -8.480 9.703 -5.182 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 3.333 -8.767 -0.673 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 0.355 7.074 4.136 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 15.605 0.792 -2.533 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 -15.327 -3.751 23.550 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 2.993 2.534 -0.335 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 -10.204 13.236 0.984 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 3.406 -0.166 -16.639 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 -3.712 -3.027 -5.335 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -9.942 -26.905 23.185 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 -1.079 6.929 -18.181 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 -0.302 3.696 6.092 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 4.206 9.669 23.130 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 -2.483 15.760 -3.273 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 4.056 -4.127 4.771 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 -22.045 2.383 -3.543 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 -9.876 5.930 7.619 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 -1.051 -6.443 -1.060 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 0.751 14.387 9.758 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 -6.424 21.350 18.091 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 2.126 2.120 -4.836 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 -14.727 13.039 -0.656 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 -13.153 12.041 -0.993 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 -1.347 -0.533 -6.939 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 -13.563 -3.502 -2.077 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 4.223 -0.254 -7.164 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 -1.428 3.194 -0.073 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 8.441 -13.397 -6.887 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 -6.769 17.983 4.332 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 -0.248 -3.954 -0.641 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 -10.481 18.764 -30.489 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 27.921 28.885 -2.979 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 7.755 6.780 -5.523 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 9.236 11.497 3.601 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 6.338 5.610 -3.041 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 1.758 -2.174 0.140 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 23.850 6.972 -27.466 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 18.587 -4.267 -2.821 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 -0.927 -2.814 -0.200 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 -16.625 -18.653 -26.597 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 -2.944 -4.347 -3.948 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 -6.968 -3.333 -2.673 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 1.606 5.052 20.008 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 24.574 30.820 13.589 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 -1.657 -2.931 8.938 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 -0.981 -3.939 11.179 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 -3.702 -6.868 11.360 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 -2.323 -4.078 -3.174 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 -5.997 -8.250 -6.013 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 -10.796 -9.857 -7.009 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 -5.161 4.327 7.376 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 2.657 4.269 6.454 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 -4.063 0.809 7.171 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 -4.728 -1.876 -1.964 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 0.572 19.994 -23.668 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 -11.486 -28.769 21.586 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 5.317 -2.453 2.436 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 5.209 -3.401 4.369 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 9.617 -2.793 0.162 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 -1.756 -2.059 -3.344 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 12.687 9.330 -18.015 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 5.102 4.021 -10.409 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 -0.509 -3.555 2.412 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 -3.777 -16.099 20.954 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 -1.352 -6.889 -0.085 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 -6.633 1.286 1.080 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 3.694 -17.674 9.806 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 -3.677 11.918 -12.096 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 -0.360 -0.568 9.263 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 -0.798 1.228 -7.592 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 -3.479 1.175 2.298 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 -2.171 4.207 3.447 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 10.617 -6.896 17.889 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 -1.300 5.970 6.374 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 0.052 -2.304 -0.440 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 20.419 4.983 13.256 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 9.910 -0.343 23.284 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 4.104 5.555 1.736 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 -15.381 15.718 0.346 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 -2.057 9.075 1.660 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 6.469 9.795 -3.276 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 12.199 -10.255 21.658 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 -20.468 6.030 11.464 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 -4.039 0.555 -5.622 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 -13.860 -0.279 5.950 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 -4.140 -6.121 24.251 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 4.267 -2.558 -0.718 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 3.576 3.022 -0.574 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 5.962 -11.203 3.576 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 5.259 3.296 -7.560 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 10.860 1.343 -26.620 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 17.991 6.951 -24.125 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 2.000 -4.105 0.572 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 1.151 -9.633 -0.288 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 20.347 -9.038 -15.570 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 -0.572 0.769 1.865 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 -15.282 10.805 -6.245 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 14.046 9.720 11.341 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 1.468 -2.854 4.290 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 2.711 -5.331 3.483 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 -2.342 -18.497 7.855 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 3.802 1.456 3.880 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 7.616 9.246 -2.255 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 8.613 10.040 -1.954 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 4.733 -4.195 0.713 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 9.263 -4.600 1.727 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 -25.164 5.071 9.315 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 0.338 -4.286 -0.159 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 -19.129 -1.661 -33.141 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 6.178 -1.400 -1.305 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 3.676 -3.949 -1.966 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 0.550 3.417 1.537 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 8.415 -8.094 4.641 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 -0.385 -1.216 -3.996 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 27.725 -14.664 8.625 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 -8.604 1.242 16.995 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 6.152 10.923 0.628 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 17.821 22.869 -2.477 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 -4.015 -29.369 -2.713 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 0.474 3.864 4.717 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 -9.992 2.984 1.206 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 -1.706 -0.449 6.146 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 -7.830 -5.970 -2.042 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 -4.827 5.258 8.187 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 -2.866 -1.082 -10.287 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 1.837 1.772 0.502 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 1.032 1.401 0.429 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 -7.941 -3.003 15.843 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 -2.629 -5.232 -4.700 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 -8.086 -10.101 -11.597 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 -24.186 4.087 -3.524 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 -0.215 5.221 -0.241 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 -12.222 -1.811 -3.225 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 12.910 -0.223 -7.389 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 2.559 1.757 0.502 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 12.357 20.137 3.811 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 -14.135 -11.692 -9.917 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 3.543 -2.312 -0.174 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 8.016 -10.857 7.178 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 8.066 8.312 6.716 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 3.473 1.193 -4.494 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 -10.862 -9.858 12.618 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 -10.071 -6.725 4.174 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 0.184 -1.807 -3.706 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 12.543 -11.542 13.481 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 -2.134 -3.430 10.743 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 -4.093 -5.747 -2.484 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 -2.806 -11.732 -10.896 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 -13.382 -0.468 -6.902 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 3.438 -0.004 -1.585 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 19.331 1.875 2.054 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 -1.603 -20.811 8.867 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 -4.068 0.330 7.675 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 8.985 4.506 6.077 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 9.435 -7.372 -3.977 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 -1.493 2.961 2.527 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 -2.139 -4.691 -2.280 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 19.304 -1.506 -13.336 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 1.401 -3.143 4.522 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 13.748 -30.927 -10.932 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 2.753 -1.110 8.820 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 0.810 -6.407 -0.293 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 -3.820 -5.749 -1.084 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 8.062 -1.247 -0.327 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 4.596 3.426 0.661 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 -6.686 -14.123 -25.978 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 10.219 49.202 2.874 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 -4.022 6.911 0.305 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 -13.983 3.808 0.193 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 7.969 9.215 0.327 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 -2.188 8.263 6.098 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 -8.559 12.611 2.150 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 17.520 -0.120 3.615 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 -0.433 -3.270 2.163 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 0.992 14.463 15.337 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 23.221 -4.642 -4.547 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 3.582 -0.571 -3.425 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 -5.929 -5.827 7.316 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 25.753 -2.998 -14.183 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 2.192 3.318 -3.141 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 -10.307 13.144 -20.371 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 1.075 -9.961 -3.851 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 -4.138 0.211 2.907 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 -7.912 -7.486 18.522 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 -7.473 -5.647 27.809 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 2.488 5.280 2.626 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 -13.815 6.298 7.241 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 7.730 11.947 -11.703 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 8.262 1.389 8.278 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 1.682 -1.862 -1.491 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 12.278 -7.823 -7.232 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 0.725 -5.459 -5.587 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 -41.380 6.902 -7.444 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 -2.070 2.462 -17.557 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 -1.644 1.802 -0.858 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 0.642 3.808 -19.457 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 -1.302 -9.251 18.005 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 1.275 1.217 0.053 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 -0.279 -0.074 7.253 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 2.917 1.086 -1.353 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 -10.761 -3.977 1.170 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 12.800 -24.961 15.214 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 0.255 24.343 1.559 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 -2.998 -2.510 -2.146 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 3.301 -14.178 -9.492 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 6.632 -7.475 -18.634 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 1.667 7.042 -2.850 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 -6.880 -18.370 10.065 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 6.458 -12.651 3.033 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 3.801 -3.125 -0.956 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 10.536 -6.643 12.998 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 28.600 1.407 19.471 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 7.584 2.809 5.724 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 3.350 -0.642 -2.900 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 -6.861 6.974 4.292 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 3.483 2.424 -3.096 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 -0.333 -4.293 -4.089 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 -23.191 -24.698 -18.820 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 -2.563 6.059 -2.854 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 -5.789 9.132 -18.947 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 -6.634 7.672 -16.655 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 1.026 -0.419 4.289 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 5.041 -0.289 8.836 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 -0.939 -5.044 6.054 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 -1.179 5.628 -0.321 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 30.125 9.417 -7.914 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 10.564 -4.451 34.057 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 2.622 1.845 0.434 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 4.225 30.320 -20.415 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 0.698 6.161 -6.309 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 -3.055 2.091 -2.309 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 -3.703 1.090 -1.041 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 -13.377 1.684 -4.360 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 1.064 3.127 4.350 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 -5.897 0.466 1.866 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 4.348 9.244 -0.774 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 -2.086 6.454 -0.510 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 -11.179 1.298 5.723 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 -1.437 0.541 -10.325 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 -0.203 -9.065 0.120 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -7.244 -10.306 6.354 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 8.154 -8.132 -5.308 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 0.984 6.777 -3.006 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 -10.301 -6.910 -6.932 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 -4.031 1.890 -13.053 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 -4.550 -5.955 3.170 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 -4.036 -1.662 1.572 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 8.212 19.502 -9.700 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 -2.690 -1.825 -4.853 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 -2.085 0.238 -2.760 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 -24.085 -11.779 -6.082 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 -3.657 -9.691 -6.009 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 -13.158 -15.865 -11.829 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 -10.998 -10.608 -4.251 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 6.346 -2.185 1.254 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 19.431 15.785 -19.529 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 -16.445 -5.496 3.046 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 5.894 -2.590 -0.534 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 1.341 -3.981 -3.176 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -1.308 -12.906 -1.310 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 3.671 -4.090 -2.973 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 1.110 -5.174 -0.620 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 -6.064 9.971 7.627 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 0.116 1.249 -1.780 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 -15.183 7.448 -11.605 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 -6.202 3.966 -2.774 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 -4.211 1.606 6.250 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 1.154 -17.312 -12.093 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 -8.133 23.010 -20.547 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 -1.734 2.217 -0.695 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 -6.473 -5.794 5.349 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 -4.758 -2.019 2.631 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 1.562 6.129 1.232 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 9.003 11.411 4.610 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 1.054 2.690 -3.746 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 6.383 0.615 -1.380 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 -16.017 14.364 3.871 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 7.973 0.109 -2.596 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 -3.597 -5.125 -0.208 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 -12.778 -25.731 -3.023 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 16.078 25.294 8.050 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 7.191 5.710 -1.741 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 8.471 2.969 -6.627 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 -7.141 15.657 2.637 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 4.049 -0.148 -2.848 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 -3.131 -0.834 -9.442 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 14.366 17.312 -7.359 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 2.788 9.414 6.707 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 9.527 5.422 5.526 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 1.287 9.691 5.175 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 -0.341 1.509 3.638 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 17.996 -26.371 9.878 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 23.469 26.271 7.855 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 -2.036 4.650 1.956 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 26.315 -2.951 18.042 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 11.933 22.531 -12.260 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 -1.959 -4.161 2.986 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 2.136 4.116 4.994 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 7.989 -9.988 -3.129 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 2.971 -1.139 0.085 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 9.010 -1.482 7.174 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 -2.742 0.223 -7.047 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 -3.141 1.414 5.319 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 -0.743 11.158 0.029 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 3.638 -10.527 8.487 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 -2.307 1.787 -3.121 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 -4.240 -5.458 -0.843 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 -6.589 11.196 2.300 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 4.663 2.353 8.849 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 24.059 8.065 16.151 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 -3.529 -1.464 -8.522 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 0.364 6.268 1.415 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 -18.538 -12.099 6.800 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 -1.803 -2.659 5.078 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 -7.653 -1.177 1.166 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 6.450 -7.036 -16.798 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 -15.132 1.454 12.996 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 -3.256 0.020 -0.292 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 -2.478 -1.891 14.031 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 -3.405 0.455 -5.419 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 5.834 7.022 -5.827 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 1.031 -0.470 -3.340 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 2.098 4.120 -2.575 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 3.366 -4.247 1.429 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 -20.146 -20.121 6.691 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 -1.008 -26.941 3.551 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 0.079 0.630 0.878 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 -12.462 6.563 0.811 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 -4.742 -0.189 4.459 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 -0.580 2.149 -3.873 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 7.295 9.419 -12.054 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 -5.403 0.063 -6.815 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 -0.596 -1.134 2.911 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 -1.295 -1.541 13.495 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 2.975 -17.569 -4.024 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 -1.850 -3.581 3.503 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 -9.991 -27.752 -15.077 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 18.776 -10.562 10.937 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 -3.347 -0.547 -1.895 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 0.402 -2.441 3.336 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 25.053 -20.500 -21.696 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 7.489 -2.208 -1.912 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 6.329 -3.888 -6.333 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 6.681 2.445 0.556 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 -11.118 2.221 -6.424 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 -6.866 10.294 1.766 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 7.112 -6.481 -10.506 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 -3.863 4.151 -0.844 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 -7.630 -3.488 8.884 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 3.683 2.449 -10.979 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 9.975 -11.452 -3.277 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 15.469 9.100 -8.602 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 0.996 12.926 -3.137 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 -7.408 -1.641 1.070 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 -5.060 -0.661 3.037 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 -10.587 -2.477 -8.665 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 -7.638 -2.868 -2.981 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 -21.959 -0.127 4.708 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 4.911 4.308 8.330 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 7.390 -0.222 -3.519 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 7.131 1.785 13.019 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 7.192 0.190 11.340 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 -10.833 1.839 4.033 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 -9.271 4.184 8.285 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 -18.952 -11.981 4.559 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 6.058 -3.720 -11.303 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 3.924 -10.312 -7.701 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 2.208 -42.248 -13.965 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 4.371 8.307 -6.986 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 3.931 9.107 -28.182 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 7.362 -10.816 -6.528 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 -1.826 -3.276 -3.565 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 -11.324 -6.371 7.834 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 1.929 37.638 -0.294 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 -5.594 3.850 2.112 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 -14.977 21.996 3.498 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 19.480 7.946 -11.929 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 -2.511 4.551 -1.766 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 -35.091 -19.775 -19.754 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 13.558 8.845 14.807 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 -2.445 0.400 -1.166 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 3.944 -0.966 7.490 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 -3.594 -5.318 4.075 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 0.603 -7.135 3.426 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 0.927 -7.782 3.244 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 -6.484 -15.721 3.528 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 -5.423 10.370 5.366 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 1.083 -20.073 -14.819 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 11.743 7.629 8.993 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 -5.920 -2.447 2.340 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 6.462 -4.747 32.350 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 -0.233 -16.912 -22.950 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 0.261 -2.209 3.356 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 -17.887 3.414 1.424 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 -22.032 5.523 2.202 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 -0.157 5.911 -3.198 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 4.627 7.477 19.889 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 -23.430 9.399 -4.275 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 3.861 4.021 -0.048 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 8.514 -7.188 13.076 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 -9.433 -6.837 -4.118 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 0.960 -5.924 -1.530 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 10.044 0.840 -1.428 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 -18.099 6.759 -4.137 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 -1.517 6.140 0.222 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 -9.523 7.650 -16.890 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 0.616 2.217 2.846 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 0.907 0.212 -1.459 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 29.603 9.199 17.713 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 21.548 6.568 12.884 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 1.009 -0.336 -1.779 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 -5.401 -4.862 -12.131 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 3.797 -11.154 6.319 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 -0.293 6.571 1.643 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 12.639 21.876 24.220 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 8.314 -13.833 -1.386 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 -1.965 -1.215 -2.620 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 10.666 3.927 -7.518 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 -10.104 -11.834 -12.423 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 0.713 1.966 -0.628 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 -10.748 11.730 -8.286 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 4.424 -12.697 -17.328 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 2.467 -1.878 -5.676 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 9.924 -16.568 2.605 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 11.776 -19.479 21.735 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 -4.195 2.175 -1.978 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 -4.277 -8.314 -2.546 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 0.070 -4.126 -15.977 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 2.228 5.215 3.494 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 -5.733 12.375 10.411 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 14.797 -5.192 -5.447 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 -3.585 -7.261 3.909 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 -4.106 -5.812 9.847 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 13.086 -0.905 -0.384 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 -3.463 3.580 1.211 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 -9.584 -2.010 0.075 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 11.127 -3.798 8.291 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 6.406 -2.542 -4.845 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 6.295 -2.512 -5.421 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 17.842 11.938 -7.056 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 1.081 -0.479 5.482 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 8.210 -6.311 -4.567 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 -9.411 7.715 -2.439 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 -7.490 -1.337 -2.960 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 -4.805 4.312 -10.194 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 -21.837 0.296 -0.723 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 -1.519 -2.548 1.517 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 -7.648 -4.614 10.341 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 1.375 1.194 2.060 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 2.283 -2.559 3.380 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 -4.428 3.284 -7.258 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 0.003 2.191 20.288 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 -0.070 2.990 -4.752 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 3.398 20.208 17.968 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 -11.096 -19.625 -1.915 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 -4.053 12.057 1.152 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 9.256 -7.469 -7.957 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 -19.573 -11.615 12.311 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 -2.470 -0.761 -6.955 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 3.491 5.105 -11.034 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 -2.998 -8.027 -9.971 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 -0.230 -2.104 -0.502 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 3.774 1.399 4.135 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 -31.852 -3.342 -3.441 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 -0.795 -5.618 8.749 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 -8.168 -4.990 6.816 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 -19.251 4.754 14.453 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 6.709 1.136 6.065 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 17.622 -9.643 7.933 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 2.122 5.980 4.909 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 -4.257 -1.712 7.820 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 -17.042 2.670 9.823 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 1.642 -14.848 2.148 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 -3.122 6.047 -2.506 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 -8.892 4.276 -6.791 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 -1.723 18.517 1.698 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 0.566 -2.586 -0.770 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 -4.913 16.027 10.844 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -15.234 -7.578 -10.594 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 -0.150 0.185 -6.182 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 -11.651 -14.476 -7.369 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 -0.119 1.066 -6.835 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 6.432 3.651 -0.613 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 7.092 7.845 1.104 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 -0.526 -7.148 6.872 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 0.050 5.266 0.975 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 -1.032 7.927 -0.114 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 3.613 0.066 8.019 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 0.852 -2.310 5.181 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 -13.150 7.079 -1.652 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 17.225 7.736 -2.460 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 -3.178 -4.741 -3.586 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 2.718 -17.000 -8.465 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 -24.397 0.221 -12.874 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 2.993 2.646 -0.988 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 -14.681 8.052 13.503 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 -5.384 -7.551 -16.208 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 0.172 -0.885 1.776 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 -13.218 -7.144 30.511 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 13.571 -10.900 0.863 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 -2.908 -5.879 -0.552 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 8.194 22.016 20.159 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 22.938 12.734 -0.296 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 -0.336 1.915 0.276 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 13.237 -7.977 -12.368 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 4.073 -5.593 -0.446 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 0.235 -0.692 -3.587 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 -6.409 4.114 -0.490 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 1.090 -12.479 -8.528 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 -1.019 2.375 6.472 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 -8.175 6.702 -12.674 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 7.872 5.330 17.878 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 4.609 -2.918 -4.242 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 -19.807 2.185 2.381 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 5.491 2.461 -25.788 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 -10.436 7.582 5.744 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 13.142 -14.264 -3.109 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 0.163 4.815 1.994 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 1.077 -1.071 4.048 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 3.494 -6.838 -1.257 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 14.926 -13.238 -13.189 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 7.632 1.827 -1.677 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 1.972 -4.378 6.933 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 11.542 12.397 3.570 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 2.422 0.101 -1.504 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 4.796 -2.026 29.569 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 12.775 14.138 0.438 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 4.821 -3.917 -1.644 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 14.022 -27.077 -7.642 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 5.958 -2.480 -3.872 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 -6.528 -1.399 1.057 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 -2.377 -1.911 -1.448 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 -17.555 -6.217 -3.308 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 11.605 0.717 -3.740 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 20.135 -0.813 18.170 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 5.856 -9.053 3.151 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 4.558 3.431 -2.484 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 -1.409 3.093 -3.720 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 14.121 5.288 -3.247 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 5.004 3.961 2.105 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 2.302 1.926 9.769 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 8.664 3.112 -11.773 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 -4.105 7.925 0.240 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 -26.484 0.626 16.386 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 1.158 -3.009 9.016 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 2.356 3.613 -0.687 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 -17.152 5.630 17.665 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 16.409 1.391 -15.428 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 5.350 1.595 -4.938 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 11.988 26.458 -12.815 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 1.856 -13.600 -8.034 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 7.260 4.830 6.206 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 18.471 7.043 -8.482 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 1.937 2.183 1.425 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 4.167 1.272 -0.180 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 6.667 10.113 21.614 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 19.308 9.878 -12.388 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 -2.623 -0.908 0.935 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 -13.734 21.807 0.094 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 18.456 -1.114 -18.091 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 -0.417 1.031 0.547 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 0.438 8.900 -2.243 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 -2.088 -2.221 5.129 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 1.206 1.314 2.054 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 4.048 -16.222 -4.505 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 -5.568 -1.990 -14.454 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 -1.716 -0.128 -6.057 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 -5.773 2.730 7.902 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 -16.439 -13.679 -8.089 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 -5.330 0.906 -2.197 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 -6.582 -7.262 -8.434 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 2.239 -4.600 3.459 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 -5.389 1.522 -1.534 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 -3.614 -3.287 -6.809 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 -19.587 -2.838 13.303 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 -0.099 2.910 3.723 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 -1.323 -9.955 6.703 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 0.093 2.566 1.743 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 -6.925 2.077 1.461 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 9.462 -21.767 16.998 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 -17.783 18.770 -25.734 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 5.218 1.382 3.348 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 11.845 -28.045 46.048 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 7.051 -2.237 6.571 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 -6.906 -0.870 1.371 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 10.394 -3.708 0.881 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 -11.221 -5.908 9.621 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 -5.398 1.745 -3.173 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 2.836 11.089 8.831 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 -13.418 0.674 3.243 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 -5.026 -0.214 7.774 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 -13.028 7.310 23.991 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 -14.281 10.910 -7.332 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 3.110 -6.347 -4.146 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 -2.316 7.752 -1.231 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 15.970 -5.454 -1.049 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 0.190 6.414 -5.453 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 6.152 6.252 -0.918 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 -3.778 -9.137 -3.432 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 3.300 -3.771 0.359 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 4.081 2.098 0.972 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 6.387 -8.462 2.803 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 -5.771 -1.772 5.384 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -17.910 9.053 6.125 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 -1.762 -5.991 -17.875 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 1.751 3.202 -3.278 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 29.927 0.329 -14.639 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 18.442 2.099 -8.943 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 -9.258 0.158 -2.095 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 7.789 -10.293 -16.215 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 1.559 13.668 -4.846 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 4.661 1.034 7.127 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 12.076 -7.800 -1.909 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 11.076 0.968 -11.536 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 1.086 -0.245 -3.214 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 -4.119 -2.443 -11.793 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 -4.467 2.154 10.554 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 2.387 2.090 5.673 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 -3.748 -17.866 18.271 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 10.883 -5.345 24.930 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 1.800 1.928 2.136 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 -5.197 1.125 -1.382 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 -14.749 -9.431 -4.397 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 5.093 5.017 -3.043 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 -14.881 0.232 -2.821 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 7.162 7.029 13.808 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 3.013 3.586 -1.859 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 17.484 2.923 8.288 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 1.817 1.016 10.602 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 -2.704 -10.740 -0.655 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 -6.952 4.466 -22.185 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 5.646 -18.626 -15.631 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 2.752 -1.736 -10.228 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 11.333 0.539 -2.734 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 -7.232 7.717 14.398 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 -3.951 2.712 -4.529 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 1.180 7.888 9.391 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 -3.430 -14.100 -18.921 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 4.243 0.431 0.733 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 -2.141 -27.200 -19.431 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 -17.803 22.643 -11.200 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 1.268 5.732 7.954 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 1.002 5.675 7.585 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 7.762 10.838 14.556 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 -0.121 4.179 -1.921 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 -26.948 -1.484 -19.100 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 3.835 -9.795 -9.454 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 -1.508 -8.704 -1.512 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 16.638 -5.216 -22.417 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 -12.911 13.261 -0.809 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 1.228 -0.704 -7.352 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 13.089 -6.500 -5.771 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 30.159 -1.703 0.743 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 -0.444 -1.735 -4.562 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 -8.366 -6.136 2.836 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 -14.832 -9.541 9.771 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 -3.981 -0.695 5.486 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 1.867 4.357 -12.834 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 1.762 3.255 -12.893 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 3.808 0.958 1.715 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 12.577 0.653 -10.148 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 0.286 1.715 8.515 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 -1.294 6.151 0.278 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 -6.881 -4.152 -0.019 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 8.085 3.154 -5.522 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 0.403 3.444 3.619 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 16.501 13.578 20.455 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 -8.929 17.096 -15.404 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 4.683 -2.034 -3.417 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 -10.490 30.389 -3.798 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 -21.820 14.497 -5.042 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 -7.884 -1.725 2.967 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 -5.022 5.359 -9.782 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 -8.400 1.483 -9.679 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 -1.907 3.868 3.395 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 -17.082 12.024 -6.360 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 11.419 3.725 -14.746 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 1.758 0.903 -2.107 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 5.077 -3.502 -12.880 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 11.158 1.697 3.719 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 6.070 3.225 -2.215 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 8.919 3.358 -3.548 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 2.518 -12.822 -2.692 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 -7.375 0.843 3.812 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 -17.918 4.484 -2.481 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 -7.928 6.789 13.342 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 1.043 -0.331 0.875 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 7.467 -19.521 -18.996 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 -0.429 3.718 0.533 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 -3.919 -5.057 1.820 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 -4.413 -9.113 27.032 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 -3.793 -4.654 1.638 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 1.905 6.446 -0.561 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 -0.984 14.411 -15.756 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 -1.092 10.645 32.654 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 7.680 2.974 -5.592 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 10.458 24.247 -2.802 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 8.970 -3.360 -8.117 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 -0.607 0.801 -2.753 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 -5.244 8.518 -22.809 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 1.266 10.307 -4.124 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 5.588 -4.794 1.129 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 21.623 -10.753 -18.870 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 2.545 20.323 -0.162 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 -2.102 3.222 -1.563 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 3.168 -3.726 3.208 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 -2.276 1.607 -0.196 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 0.188 -1.243 -2.733 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 -10.166 -8.426 -6.134 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 -3.830 -1.429 8.563 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 -4.840 3.616 0.470 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 -1.521 6.387 0.563 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 -0.196 5.483 2.927 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 4.328 4.321 3.789 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 17.311 31.642 -1.535 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 0.694 14.125 -20.633 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 -6.940 0.269 -10.724 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 -1.443 4.060 -13.839 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 -4.278 -4.660 3.776 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 5.451 2.636 6.966 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 6.040 2.251 -11.880 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 15.288 2.433 17.456 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 -1.713 -0.866 6.375 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 -8.421 23.456 -8.772 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 -25.614 9.921 3.435 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 5.083 -1.430 -0.589 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 40.306 -4.161 -4.464 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 19.792 -8.282 5.847 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 6.092 -3.821 1.573 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 31.759 5.608 46.224 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 22.078 -19.365 18.471 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 -5.149 5.429 -1.667 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 -3.124 -5.774 17.212 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 -7.846 3.050 6.433 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 8.137 -0.852 0.723 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 -6.654 -5.698 5.502 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 7.601 12.169 -8.041 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 2.032 -0.234 2.315 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 1.963 -7.474 6.268 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 1.318 -25.182 5.564 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 -5.348 2.898 -0.952 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 4.240 9.873 7.439 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 -19.805 5.328 -8.174 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 6.090 5.442 3.114 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 3.472 9.724 -18.046 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 10.797 6.008 -0.004 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 -5.317 -1.171 -1.589 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 -3.044 4.834 -6.323 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 -10.267 -13.785 8.376 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 1.100 -8.826 -3.153 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 3.665 -4.895 -13.110 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 2.935 11.041 -8.807 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 6.879 -0.300 -4.957 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 -18.883 -11.334 -6.517 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 6.564 17.690 18.438 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 -1.872 3.877 2.601 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 -1.546 4.301 2.528 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 -3.931 -22.555 7.239 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 -0.429 6.815 6.286 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 9.335 -23.530 -1.001 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 7.088 -10.294 0.608 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 6.167 4.200 0.816 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 17.256 34.995 -1.210 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 3.127 26.481 -36.423 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 1.326 0.930 -6.227 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 12.066 -7.721 -14.391 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 -20.810 6.850 -5.586 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 -4.125 -0.811 3.923 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 -18.535 -23.393 -6.504 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 -9.864 -7.532 -1.843 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 -4.644 1.918 3.525 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 -2.975 -5.073 18.639 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 -1.388 -6.697 -25.065 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 -5.742 5.548 3.750 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 -13.999 -26.752 6.557 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 -6.023 22.678 -4.936 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 -1.113 -2.321 -5.431 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 1.898 -9.750 -7.716 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 -12.497 0.856 -9.169 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 -2.053 4.833 -1.942 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 -15.317 -19.939 4.100 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 -4.189 -20.100 3.619 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 -1.872 -3.511 -2.726 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 3.443 -2.519 -0.024 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 -3.120 -4.614 -0.121 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 -7.655 0.406 0.737 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 -2.027 9.632 20.818 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 -0.878 7.710 4.687 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 -2.304 9.668 2.865 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 -6.768 0.464 -11.261 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 -18.310 -10.682 -17.366 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 0.474 -1.248 2.197 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 11.783 0.106 16.743 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 -10.177 13.181 3.168 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 1.263 -2.758 -7.793 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 -14.938 10.760 -0.664 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 0.773 -2.822 -16.427 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 -0.041 -1.946 -3.000 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 -9.541 4.890 13.645 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 -4.894 10.932 -14.141 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 6.524 -1.922 -0.367 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 15.270 -0.419 -4.483 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 7.135 5.438 18.570 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 2.600 5.301 -4.716 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 2.707 7.592 -3.469 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 -2.570 4.977 -5.097 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 2.360 -2.514 -5.176 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 13.465 -21.406 -15.135 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 21.918 10.622 -0.142 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 0.534 -3.177 2.590 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 -12.847 -11.551 13.957 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 1.421 5.693 8.264 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 5.227 -0.653 -5.349 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 -6.166 9.010 -8.754 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 10.559 -5.035 -3.766 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 -3.228 -4.734 -0.033 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 -2.265 0.660 5.162 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 -3.130 -12.303 7.960 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 6.071 1.535 2.437 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 -7.451 -5.213 5.372 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 8.210 -7.884 -1.635 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 1.911 -4.107 1.744 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 -12.851 -12.245 20.049 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 -17.481 -12.121 30.519 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 -4.685 1.834 -6.101 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 0.012 5.504 -8.220 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 -9.324 0.707 -11.932 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 -6.367 4.995 0.266 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 -15.690 -0.980 -0.693 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 5.349 -15.126 4.521 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 5.889 2.879 4.849 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 1.573 -10.029 7.302 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 -3.524 -6.404 9.606 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 0.217 -6.816 -2.856 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 -8.320 7.960 -6.783 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 10.715 -6.002 11.894 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 -1.379 -1.163 -6.613 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 1.993 -0.955 -9.508 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 5.155 16.933 1.472 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 -0.691 -4.868 0.392 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 -12.028 -15.394 -7.554 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 -17.234 -21.303 3.054 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 -2.202 -8.850 -1.099 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 -15.141 3.440 -0.865 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 16.144 3.321 10.998 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 4.203 1.961 -1.976 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -2.407 -6.307 7.120 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 1.703 0.907 3.402 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 -3.108 -3.150 3.330 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 -4.514 -40.399 1.206 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 -17.382 1.637 11.258 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 -1.822 5.469 2.573 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 8.272 14.299 18.059 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 6.608 0.614 -17.120 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 -4.399 5.185 6.272 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 -1.026 18.145 19.726 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 -8.518 11.492 -16.764 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 -4.522 0.289 3.420 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 1.361 2.329 -1.684 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 -12.162 1.015 4.760 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 3.072 -1.069 -7.348 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 1.120 -12.509 12.151 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 14.919 -4.973 5.228 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 -2.042 -3.127 3.721 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 -21.890 8.675 -20.831 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 5.772 -2.674 8.041 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 -1.414 6.370 0.099 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 3.186 1.501 -13.905 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 -6.798 12.874 -5.178 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 4.632 -0.179 -0.688 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 5.881 -24.212 -4.528 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 -8.924 -0.741 15.455 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 0.900 4.016 -1.879 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 -4.805 17.116 -6.890 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 -21.303 -13.365 -25.352 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 5.739 -3.123 -0.095 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 0.334 -0.834 -10.915 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 8.662 -20.154 1.553 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 -6.347 3.342 6.956 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 9.341 1.157 -5.974 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 19.538 -17.715 1.593 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 -2.138 2.132 -3.360 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 -9.472 -8.205 -0.981 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 4.263 4.185 1.690 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 3.558 1.384 -2.513 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 5.381 -3.184 -6.184 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 5.597 -11.091 3.700 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 2.675 -2.794 6.377 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 -20.844 4.382 -1.443 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 33.944 -7.635 -3.676 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 -2.837 7.283 1.679 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 14.380 -0.417 -0.271 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 -1.733 3.587 0.863 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 2.248 -2.636 1.912 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 8.664 0.758 3.357 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 20.478 -10.541 -21.284 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 0.013 -1.186 -5.715 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 -0.302 -1.802 -8.458 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 0.100 2.427 -4.905 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 -3.846 -4.051 1.931 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 -12.003 -4.946 -5.038 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 1.412 -4.957 3.678 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 2.131 -1.257 0.677 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 0.923 1.007 -5.344 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 -0.890 -0.279 -3.624 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 5.196 -6.894 -1.433 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 7.836 8.112 -7.975 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 1.691 4.552 -19.856 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 -6.065 3.360 -3.101 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 -4.830 -8.407 11.376 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 19.424 0.834 -18.045 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 3.852 -6.143 4.070 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 -5.631 -4.609 -12.135 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 -7.213 11.560 -5.033 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 2.565 -4.527 -5.424 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 19.085 -0.643 -7.842 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 -12.629 -10.610 -1.272 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 -2.766 0.594 -5.012 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 -2.717 -1.922 -4.241 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 3.546 6.125 -16.228 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 2.911 -3.139 2.103 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 -3.821 1.499 0.006 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 5.543 2.873 5.749 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 2.465 -0.679 1.400 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 0.556 -2.032 2.459 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 2.229 -0.853 3.163 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 -1.182 0.064 -2.565 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 1.198 -2.212 -4.582 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 0.383 2.341 4.502 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 -4.390 5.630 1.969 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 2.131 -2.561 -1.680 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 0.570 1.529 -0.133 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 -0.903 -1.918 1.338 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 0.324 3.864 0.372 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 -1.636 -0.710 7.003 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 2.905 -0.007 -2.321 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 7.783 -4.046 2.678 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 -1.079 1.575 -1.116 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 2.461 -2.225 1.817 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 4.051 -3.043 8.824 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 -1.142 3.589 -5.068 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 2.294 -0.660 1.222 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 0.479 0.760 5.378 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 4.275 0.783 -4.059 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 -1.639 2.591 2.057 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 -3.865 -2.259 -1.602 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 -0.134 2.862 -1.752 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 0.027 7.390 3.469 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 2.008 0.962 -0.797 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 4.474 -1.606 3.081 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 -2.338 0.854 -3.111 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 3.223 -4.116 1.057 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 -3.382 2.115 -6.610 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 -1.199 -2.204 1.710 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 2.279 -4.586 -5.546 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 5.333 1.506 3.479 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 4.018 -0.311 -1.487 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 2.332 -0.972 -4.042 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 -2.483 -0.242 -3.985 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 -5.523 -2.451 4.370 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 -0.786 3.334 -4.957 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 3.146 -3.120 -3.580 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 1.425 3.389 2.106 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 1.677 -3.235 -0.566 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 3.020 5.848 0.941 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 -0.216 4.460 6.453 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 -5.630 -0.373 -2.447 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 2.649 -1.043 -2.935 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 -5.767 3.456 -3.064 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 2.101 -2.868 -2.905 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 -2.316 2.618 7.937 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 2.686 4.195 6.687 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 -1.770 0.474 -0.145 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 3.547 -1.743 2.289 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 7.353 -3.233 -3.013 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 -5.381 1.431 0.895 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 -3.883 1.123 0.934 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 -2.337 -1.535 0.365 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 -7.012 -2.387 1.504 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 -3.573 4.274 4.745 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 5.204 1.977 -2.321 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 -0.595 1.018 -3.475 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 -2.045 0.231 -3.336 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 -6.796 1.872 5.530 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 -0.849 2.410 -1.283 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 -6.442 -2.938 3.432 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 0.803 1.627 0.724 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 -2.483 -2.282 0.616 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 -4.860 -1.614 0.712 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 -4.033 4.605 0.493 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 -5.583 -3.465 -4.334 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 -1.699 -1.128 -2.300 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 0.814 -1.475 -5.645 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 -7.902 3.432 -1.924 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 1.319 4.668 0.419 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 -4.941 3.066 -2.952 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 2.169 0.720 -1.742 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 1.786 3.348 4.050 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 -1.710 3.740 -0.802 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 -0.920 3.460 -5.825 1.00 0.00 ION NA END