CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ATOM 1 N LYS 5 5.147 16.741 5.018 0.00 0.00 ENZA ATOM 2 HT1 LYS 5 5.152 17.330 5.877 0.00 0.00 ENZA ATOM 3 HT2 LYS 5 6.117 16.559 4.688 0.00 0.00 ENZA ATOM 4 HT3 LYS 5 4.870 15.762 5.223 0.00 0.00 ENZA ATOM 5 CA LYS 5 4.298 17.424 4.001 0.00 0.00 ENZA ATOM 6 HA LYS 5 4.635 18.450 3.937 0.00 0.00 ENZA ATOM 7 CB LYS 5 4.467 16.729 2.660 0.00 0.00 ENZA ATOM 8 HB1 LYS 5 4.207 15.647 2.712 0.00 0.00 ENZA ATOM 9 HB2 LYS 5 3.739 17.236 1.987 0.00 0.00 ENZA ATOM 10 CG LYS 5 5.922 16.878 2.135 0.00 0.00 ENZA ATOM 11 HG1 LYS 5 6.126 17.964 1.995 0.00 0.00 ENZA ATOM 12 HG2 LYS 5 6.641 16.490 2.892 0.00 0.00 ENZA ATOM 13 CD LYS 5 6.272 16.142 0.825 0.00 0.00 ENZA ATOM 14 HD1 LYS 5 6.185 15.071 1.116 0.00 0.00 ENZA ATOM 15 HD2 LYS 5 5.504 16.381 0.053 0.00 0.00 ENZA ATOM 16 CE LYS 5 7.817 16.336 0.335 0.00 0.00 ENZA ATOM 17 HE1 LYS 5 8.054 17.354 -0.049 0.00 0.00 ENZA ATOM 18 HE2 LYS 5 8.432 16.092 1.229 0.00 0.00 ENZA ATOM 19 NZ LYS 5 8.054 15.352 -0.750 0.00 0.00 ENZA ATOM 20 HZ1 LYS 5 7.913 14.363 -0.459 0.00 0.00 ENZA ATOM 21 HZ2 LYS 5 7.411 15.496 -1.555 0.00 0.00 ENZA ATOM 22 HZ3 LYS 5 9.019 15.501 -1.112 0.00 0.00 ENZA ATOM 23 C LYS 5 2.817 17.338 4.385 0.00 0.00 ENZA ATOM 24 O LYS 5 2.403 16.514 5.182 0.00 0.00 ENZA ATOM 25 N THR 6 1.984 18.293 3.953 0.00 0.00 ENZA ATOM 26 HN THR 6 2.398 19.062 3.466 0.00 0.00 ENZA ATOM 27 CA THR 6 0.562 18.227 4.087 0.00 0.00 ENZA ATOM 28 HA THR 6 0.263 17.890 5.070 0.00 0.00 ENZA ATOM 29 CB THR 6 -0.099 19.603 3.979 0.00 0.00 ENZA ATOM 30 HB THR 6 -1.207 19.476 4.053 0.00 0.00 ENZA ATOM 31 OG1 THR 6 0.219 20.200 2.708 0.00 0.00 ENZA ATOM 32 HG1 THR 6 -0.417 20.918 2.617 0.00 0.00 ENZA ATOM 33 CG2 THR 6 0.382 20.599 5.049 0.00 0.00 ENZA ATOM 34 HG21 THR 6 -0.211 21.520 4.862 0.00 0.00 ENZA ATOM 35 HG22 THR 6 0.109 20.275 6.074 0.00 0.00 ENZA ATOM 36 HG23 THR 6 1.464 20.835 4.941 0.00 0.00 ENZA ATOM 37 C THR 6 -0.009 17.389 3.033 0.00 0.00 ENZA ATOM 38 O THR 6 0.532 17.199 1.969 0.00 0.00 ENZA ATOM 39 N ALA 7 -1.214 16.878 3.308 0.00 0.00 ENZA ATOM 40 HN ALA 7 -1.674 17.175 4.144 0.00 0.00 ENZA ATOM 41 CA ALA 7 -1.864 15.921 2.348 0.00 0.00 ENZA ATOM 42 HA ALA 7 -1.416 14.934 2.380 0.00 0.00 ENZA ATOM 43 CB ALA 7 -3.269 15.819 2.941 0.00 0.00 ENZA ATOM 44 HB1 ALA 7 -3.297 15.048 3.743 0.00 0.00 ENZA ATOM 45 HB2 ALA 7 -3.729 16.750 3.336 0.00 0.00 ENZA ATOM 46 HB3 ALA 7 -3.894 15.393 2.127 0.00 0.00 ENZA ATOM 47 C ALA 7 -1.966 16.309 0.871 0.00 0.00 ENZA ATOM 48 O ALA 7 -1.578 15.517 0.014 0.00 0.00 ENZA ATOM 49 N SER 8 -2.626 17.478 0.554 0.00 0.00 ENZA ATOM 50 HN SER 8 -2.889 18.061 1.322 0.00 0.00 ENZA ATOM 51 CA SER 8 -2.711 17.930 -0.874 0.00 0.00 ENZA ATOM 52 HA SER 8 -3.206 17.201 -1.502 0.00 0.00 ENZA ATOM 53 CB SER 8 -3.441 19.237 -1.113 0.00 0.00 ENZA ATOM 54 HB1 SER 8 -2.935 20.159 -0.741 0.00 0.00 ENZA ATOM 55 HB2 SER 8 -3.536 19.461 -2.198 0.00 0.00 ENZA ATOM 56 OG SER 8 -4.694 19.346 -0.415 0.00 0.00 ENZA ATOM 57 HG1 SER 8 -5.024 20.238 -0.576 0.00 0.00 ENZA ATOM 58 C SER 8 -1.330 17.985 -1.572 0.00 0.00 ENZA ATOM 59 O SER 8 -1.204 17.684 -2.751 0.00 0.00 ENZA ATOM 60 N THR 9 -0.311 18.534 -0.899 0.00 0.00 ENZA ATOM 61 HN THR 9 -0.380 18.898 0.029 0.00 0.00 ENZA ATOM 62 CA THR 9 0.983 18.813 -1.519 0.00 0.00 ENZA ATOM 63 HA THR 9 0.830 19.151 -2.535 0.00 0.00 ENZA ATOM 64 CB THR 9 1.889 19.813 -0.659 0.00 0.00 ENZA ATOM 65 HB THR 9 2.033 19.334 0.340 0.00 0.00 ENZA ATOM 66 OG1 THR 9 1.125 21.011 -0.544 0.00 0.00 ENZA ATOM 67 HG1 THR 9 1.116 21.242 0.391 0.00 0.00 ENZA ATOM 68 CG2 THR 9 3.259 20.169 -1.335 0.00 0.00 ENZA ATOM 69 HG21 THR 9 3.066 20.560 -2.356 0.00 0.00 ENZA ATOM 70 HG22 THR 9 3.735 21.027 -0.814 0.00 0.00 ENZA ATOM 71 HG23 THR 9 3.908 19.267 -1.304 0.00 0.00 ENZA ATOM 72 C THR 9 1.785 17.536 -1.665 0.00 0.00 ENZA ATOM 73 O THR 9 2.378 17.231 -2.653 0.00 0.00 ENZA ATOM 74 N GLY 10 1.664 16.588 -0.627 0.00 0.00 ENZA ATOM 75 HN GLY 10 1.190 16.865 0.208 0.00 0.00 ENZA ATOM 76 CA GLY 10 2.095 15.213 -0.746 0.00 0.00 ENZA ATOM 77 HA1 GLY 10 1.916 14.729 0.204 0.00 0.00 ENZA ATOM 78 HA2 GLY 10 3.164 15.234 -0.907 0.00 0.00 ENZA ATOM 79 C GLY 10 1.513 14.374 -1.939 0.00 0.00 ENZA ATOM 80 O GLY 10 2.156 13.638 -2.701 0.00 0.00 ENZA ATOM 81 N PHE 11 0.171 14.507 -2.054 0.00 0.00 ENZA ATOM 82 HN PHE 11 -0.295 15.210 -1.518 0.00 0.00 ENZA ATOM 83 CA PHE 11 -0.601 13.906 -3.170 0.00 0.00 ENZA ATOM 84 HA PHE 11 -0.277 12.874 -3.245 0.00 0.00 ENZA ATOM 85 CB PHE 11 -2.065 14.018 -2.721 0.00 0.00 ENZA ATOM 86 HB1 PHE 11 -2.177 13.669 -1.673 0.00 0.00 ENZA ATOM 87 HB2 PHE 11 -2.413 15.072 -2.773 0.00 0.00 ENZA ATOM 88 CG PHE 11 -2.941 13.185 -3.680 0.00 0.00 ENZA ATOM 89 CD1 PHE 11 -3.326 13.893 -4.877 0.00 0.00 ENZA ATOM 90 HD1 PHE 11 -3.080 14.945 -4.938 0.00 0.00 ENZA ATOM 91 CE1 PHE 11 -4.173 13.239 -5.805 0.00 0.00 ENZA ATOM 92 HE1 PHE 11 -4.437 13.798 -6.692 0.00 0.00 ENZA ATOM 93 CZ PHE 11 -4.490 11.911 -5.684 0.00 0.00 ENZA ATOM 94 HZ PHE 11 -4.985 11.382 -6.487 0.00 0.00 ENZA ATOM 95 CD2 PHE 11 -3.267 11.843 -3.566 0.00 0.00 ENZA ATOM 96 HD2 PHE 11 -2.964 11.278 -2.694 0.00 0.00 ENZA ATOM 97 CE2 PHE 11 -3.944 11.208 -4.597 0.00 0.00 ENZA ATOM 98 HE2 PHE 11 -4.259 10.175 -4.567 0.00 0.00 ENZA ATOM 99 C PHE 11 -0.259 14.473 -4.586 0.00 0.00 ENZA ATOM 100 O PHE 11 -0.010 13.645 -5.481 0.00 0.00 ENZA ATOM 101 N ALA 12 -0.136 15.819 -4.772 0.00 0.00 ENZA ATOM 102 HN ALA 12 -0.419 16.520 -4.119 0.00 0.00 ENZA ATOM 103 CA ALA 12 0.361 16.326 -5.978 0.00 0.00 ENZA ATOM 104 HA ALA 12 -0.515 16.269 -6.613 0.00 0.00 ENZA ATOM 105 CB ALA 12 0.626 17.859 -5.748 0.00 0.00 ENZA ATOM 106 HB1 ALA 12 0.875 18.501 -6.621 0.00 0.00 ENZA ATOM 107 HB2 ALA 12 -0.224 18.318 -5.199 0.00 0.00 ENZA ATOM 108 HB3 ALA 12 1.538 17.942 -5.118 0.00 0.00 ENZA ATOM 109 C ALA 12 1.621 15.714 -6.681 0.00 0.00 ENZA ATOM 110 O ALA 12 1.683 15.559 -7.894 0.00 0.00 ENZA ATOM 111 N GLU 13 2.650 15.458 -5.866 0.00 0.00 ENZA ATOM 112 HN GLU 13 2.456 15.613 -4.901 0.00 0.00 ENZA ATOM 113 CA GLU 13 3.917 14.815 -6.196 0.00 0.00 ENZA ATOM 114 HA GLU 13 4.200 15.205 -7.165 0.00 0.00 ENZA ATOM 115 CB GLU 13 5.047 14.919 -5.127 0.00 0.00 ENZA ATOM 116 HB1 GLU 13 4.623 14.446 -4.211 0.00 0.00 ENZA ATOM 117 HB2 GLU 13 5.993 14.375 -5.341 0.00 0.00 ENZA ATOM 118 CG GLU 13 5.240 16.410 -4.918 0.00 0.00 ENZA ATOM 119 HG1 GLU 13 5.545 16.937 -5.841 0.00 0.00 ENZA ATOM 120 HG2 GLU 13 4.302 16.898 -4.591 0.00 0.00 ENZA ATOM 121 CD GLU 13 6.311 16.637 -3.904 0.00 0.00 ENZA ATOM 122 OE1 GLU 13 6.301 16.388 -2.696 0.00 0.00 ENZA ATOM 123 OE2 GLU 13 7.420 17.269 -4.384 0.00 0.00 ENZA ATOM 124 HE2 GLU 13 8.084 17.228 -3.692 0.00 0.00 ENZA ATOM 125 C GLU 13 3.678 13.421 -6.503 0.00 0.00 ENZA ATOM 126 O GLU 13 4.318 12.919 -7.415 0.00 0.00 ENZA ATOM 127 N LEU 14 2.745 12.605 -5.876 0.00 0.00 ENZA ATOM 128 HN LEU 14 2.141 12.943 -5.157 0.00 0.00 ENZA ATOM 129 CA LEU 14 2.409 11.282 -6.332 0.00 0.00 ENZA ATOM 130 HA LEU 14 3.370 10.823 -6.521 0.00 0.00 ENZA ATOM 131 CB LEU 14 1.686 10.473 -5.171 0.00 0.00 ENZA ATOM 132 HB1 LEU 14 1.092 11.250 -4.637 0.00 0.00 ENZA ATOM 133 HB2 LEU 14 0.879 9.784 -5.506 0.00 0.00 ENZA ATOM 134 CG LEU 14 2.579 9.776 -4.152 0.00 0.00 ENZA ATOM 135 HG LEU 14 1.935 9.517 -3.278 0.00 0.00 ENZA ATOM 136 CD1 LEU 14 2.929 8.386 -4.761 0.00 0.00 ENZA ATOM 137 HD11 LEU 14 3.636 8.518 -5.608 0.00 0.00 ENZA ATOM 138 HD12 LEU 14 3.508 7.794 -4.020 0.00 0.00 ENZA ATOM 139 HD13 LEU 14 1.960 7.871 -4.940 0.00 0.00 ENZA ATOM 140 CD2 LEU 14 3.882 10.409 -3.632 0.00 0.00 ENZA ATOM 141 HD21 LEU 14 4.583 10.502 -4.492 0.00 0.00 ENZA ATOM 142 HD22 LEU 14 3.841 11.374 -3.087 0.00 0.00 ENZA ATOM 143 HD23 LEU 14 4.352 9.737 -2.883 0.00 0.00 ENZA ATOM 144 C LEU 14 1.484 11.133 -7.481 0.00 0.00 ENZA ATOM 145 O LEU 14 1.613 10.174 -8.221 0.00 0.00 ENZA ATOM 146 N LEU 15 0.573 12.126 -7.714 0.00 0.00 ENZA ATOM 147 HN LEU 15 0.364 12.800 -7.008 0.00 0.00 ENZA ATOM 148 CA LEU 15 -0.225 12.201 -8.860 0.00 0.00 ENZA ATOM 149 HA LEU 15 -0.733 11.246 -8.854 0.00 0.00 ENZA ATOM 150 CB LEU 15 -1.284 13.359 -8.796 0.00 0.00 ENZA ATOM 151 HB1 LEU 15 -1.983 13.247 -7.935 0.00 0.00 ENZA ATOM 152 HB2 LEU 15 -0.766 14.332 -8.649 0.00 0.00 ENZA ATOM 153 CG LEU 15 -2.103 13.647 -10.113 0.00 0.00 ENZA ATOM 154 HG LEU 15 -1.288 13.823 -10.854 0.00 0.00 ENZA ATOM 155 CD1 LEU 15 -2.999 12.533 -10.660 0.00 0.00 ENZA ATOM 156 HD11 LEU 15 -3.795 12.447 -9.891 0.00 0.00 ENZA ATOM 157 HD12 LEU 15 -3.390 12.768 -11.674 0.00 0.00 ENZA ATOM 158 HD13 LEU 15 -2.580 11.505 -10.651 0.00 0.00 ENZA ATOM 159 CD2 LEU 15 -2.858 15.000 -9.955 0.00 0.00 ENZA ATOM 160 HD21 LEU 15 -3.063 15.402 -10.971 0.00 0.00 ENZA ATOM 161 HD22 LEU 15 -3.717 14.812 -9.280 0.00 0.00 ENZA ATOM 162 HD23 LEU 15 -2.303 15.711 -9.306 0.00 0.00 ENZA ATOM 163 C LEU 15 0.635 12.213 -10.182 0.00 0.00 ENZA ATOM 164 O LEU 15 0.561 11.387 -11.048 0.00 0.00 ENZA ATOM 165 N LYS 16 1.530 13.232 -10.273 0.00 0.00 ENZA ATOM 166 HN LYS 16 1.508 13.870 -9.505 0.00 0.00 ENZA ATOM 167 CA LYS 16 2.408 13.466 -11.411 0.00 0.00 ENZA ATOM 168 HA LYS 16 1.872 13.555 -12.348 0.00 0.00 ENZA ATOM 169 CB LYS 16 3.221 14.808 -11.253 0.00 0.00 ENZA ATOM 170 HB1 LYS 16 2.623 15.716 -11.011 0.00 0.00 ENZA ATOM 171 HB2 LYS 16 4.058 14.754 -10.522 0.00 0.00 ENZA ATOM 172 CG LYS 16 3.976 15.237 -12.602 0.00 0.00 ENZA ATOM 173 HG1 LYS 16 4.527 14.346 -12.981 0.00 0.00 ENZA ATOM 174 HG2 LYS 16 3.191 15.481 -13.355 0.00 0.00 ENZA ATOM 175 CD LYS 16 4.842 16.461 -12.415 0.00 0.00 ENZA ATOM 176 HD1 LYS 16 4.209 17.255 -11.958 0.00 0.00 ENZA ATOM 177 HD2 LYS 16 5.668 16.179 -11.722 0.00 0.00 ENZA ATOM 178 CE LYS 16 5.294 17.246 -13.649 0.00 0.00 ENZA ATOM 179 HE1 LYS 16 4.576 17.101 -14.487 0.00 0.00 ENZA ATOM 180 HE2 LYS 16 5.491 18.332 -13.511 0.00 0.00 ENZA ATOM 181 NZ LYS 16 6.573 16.714 -14.125 0.00 0.00 ENZA ATOM 182 HZ1 LYS 16 6.344 15.705 -14.233 0.00 0.00 ENZA ATOM 183 HZ2 LYS 16 6.833 17.112 -15.050 0.00 0.00 ENZA ATOM 184 HZ3 LYS 16 7.333 16.865 -13.429 0.00 0.00 ENZA ATOM 185 C LYS 16 3.434 12.348 -11.590 0.00 0.00 ENZA ATOM 186 O LYS 16 3.598 11.831 -12.684 0.00 0.00 ENZA ATOM 187 N ASP 17 4.012 11.867 -10.484 0.00 0.00 ENZA ATOM 188 HN ASP 17 4.022 12.337 -9.606 0.00 0.00 ENZA ATOM 189 CA ASP 17 4.732 10.648 -10.569 0.00 0.00 ENZA ATOM 190 HA ASP 17 5.605 10.848 -11.179 0.00 0.00 ENZA ATOM 191 CB ASP 17 5.091 10.093 -9.049 0.00 0.00 ENZA ATOM 192 HB1 ASP 17 5.419 11.028 -8.554 0.00 0.00 ENZA ATOM 193 HB2 ASP 17 4.230 9.710 -8.465 0.00 0.00 ENZA ATOM 194 CG ASP 17 6.157 9.074 -9.128 0.00 0.00 ENZA ATOM 195 OD1 ASP 17 6.032 8.001 -8.520 0.00 0.00 ENZA ATOM 196 OD2 ASP 17 7.188 9.374 -9.820 0.00 0.00 ENZA ATOM 197 C ASP 17 4.049 9.464 -11.249 0.00 0.00 ENZA ATOM 198 O ASP 17 4.553 9.090 -12.299 0.00 0.00 ENZA ATOM 199 N ARG 18 2.974 8.953 -10.725 0.00 0.00 ENZA ATOM 200 HN ARG 18 2.597 9.381 -9.908 0.00 0.00 ENZA ATOM 201 CA ARG 18 2.149 7.948 -11.369 0.00 0.00 ENZA ATOM 202 HA ARG 18 2.934 7.216 -11.517 0.00 0.00 ENZA ATOM 203 CB ARG 18 1.148 7.339 -10.408 0.00 0.00 ENZA ATOM 204 HB1 ARG 18 1.653 7.038 -9.460 0.00 0.00 ENZA ATOM 205 HB2 ARG 18 0.412 8.121 -10.116 0.00 0.00 ENZA ATOM 206 CG ARG 18 0.326 6.114 -11.042 0.00 0.00 ENZA ATOM 207 HG1 ARG 18 -0.476 5.838 -10.323 0.00 0.00 ENZA ATOM 208 HG2 ARG 18 -0.264 6.479 -11.915 0.00 0.00 ENZA ATOM 209 CD ARG 18 1.339 4.991 -11.455 0.00 0.00 ENZA ATOM 210 HD1 ARG 18 1.986 5.409 -12.258 0.00 0.00 ENZA ATOM 211 HD2 ARG 18 2.017 4.760 -10.600 0.00 0.00 ENZA ATOM 212 NE ARG 18 0.485 3.865 -11.928 0.00 0.00 ENZA ATOM 213 HE ARG 18 -0.480 3.943 -12.207 0.00 0.00 ENZA ATOM 214 CZ ARG 18 1.036 2.737 -12.240 0.00 0.00 ENZA ATOM 215 NH1 ARG 18 0.318 1.770 -12.789 0.00 0.00 ENZA ATOM 216 HH11 ARG 18 0.719 0.868 -12.690 0.00 0.00 ENZA ATOM 217 HH12 ARG 18 -0.681 1.859 -12.808 0.00 0.00 ENZA ATOM 218 NH2 ARG 18 2.323 2.523 -12.084 0.00 0.00 ENZA ATOM 219 HH21 ARG 18 2.494 1.549 -12.025 0.00 0.00 ENZA ATOM 220 HH22 ARG 18 2.916 3.168 -11.621 0.00 0.00 ENZA ATOM 221 C ARG 18 1.743 8.291 -12.752 0.00 0.00 ENZA ATOM 222 O ARG 18 1.739 7.449 -13.606 0.00 0.00 ENZA ATOM 223 N ARG 19 1.347 9.541 -13.022 0.00 0.00 ENZA ATOM 224 HN ARG 19 1.165 10.207 -12.301 0.00 0.00 ENZA ATOM 225 CA ARG 19 0.941 10.049 -14.429 0.00 0.00 ENZA ATOM 226 HA ARG 19 0.116 9.433 -14.769 0.00 0.00 ENZA ATOM 227 CB ARG 19 0.479 11.547 -14.467 0.00 0.00 ENZA ATOM 228 HB1 ARG 19 -0.481 11.769 -13.945 0.00 0.00 ENZA ATOM 229 HB2 ARG 19 1.254 12.230 -14.056 0.00 0.00 ENZA ATOM 230 CG ARG 19 0.131 12.020 -15.850 0.00 0.00 ENZA ATOM 231 HG1 ARG 19 0.963 12.018 -16.588 0.00 0.00 ENZA ATOM 232 HG2 ARG 19 -0.644 11.303 -16.206 0.00 0.00 ENZA ATOM 233 CD ARG 19 -0.347 13.426 -16.111 0.00 0.00 ENZA ATOM 234 HD1 ARG 19 -0.686 13.515 -17.168 0.00 0.00 ENZA ATOM 235 HD2 ARG 19 -1.304 13.595 -15.566 0.00 0.00 ENZA ATOM 236 NE ARG 19 0.720 14.432 -15.733 0.00 0.00 ENZA ATOM 237 HE ARG 19 0.515 15.090 -14.998 0.00 0.00 ENZA ATOM 238 CZ ARG 19 1.724 14.905 -16.512 0.00 0.00 ENZA ATOM 239 NH1 ARG 19 2.066 14.345 -17.647 0.00 0.00 ENZA ATOM 240 HH11 ARG 19 2.886 14.588 -18.145 0.00 0.00 ENZA ATOM 241 HH12 ARG 19 1.650 13.491 -17.967 0.00 0.00 ENZA ATOM 242 NH2 ARG 19 2.412 15.897 -16.056 0.00 0.00 ENZA ATOM 243 HH21 ARG 19 3.170 16.208 -16.612 0.00 0.00 ENZA ATOM 244 HH22 ARG 19 2.056 16.248 -15.200 0.00 0.00 ENZA ATOM 245 C ARG 19 1.983 9.834 -15.505 0.00 0.00 ENZA ATOM 246 O ARG 19 1.736 9.222 -16.521 0.00 0.00 ENZA ATOM 247 N GLU 20 3.206 10.250 -15.304 0.00 0.00 ENZA ATOM 248 HN GLU 20 3.514 10.878 -14.594 0.00 0.00 ENZA ATOM 249 CA GLU 20 4.403 10.070 -16.040 0.00 0.00 ENZA ATOM 250 HA GLU 20 4.331 10.590 -16.988 0.00 0.00 ENZA ATOM 251 CB GLU 20 5.631 10.924 -15.440 0.00 0.00 ENZA ATOM 252 HB1 GLU 20 5.843 10.644 -14.381 0.00 0.00 ENZA ATOM 253 HB2 GLU 20 6.501 10.714 -16.102 0.00 0.00 ENZA ATOM 254 CG GLU 20 5.444 12.480 -15.576 0.00 0.00 ENZA ATOM 255 HG1 GLU 20 5.238 12.683 -16.643 0.00 0.00 ENZA ATOM 256 HG2 GLU 20 4.620 12.927 -14.985 0.00 0.00 ENZA ATOM 257 CD GLU 20 6.699 13.269 -15.310 0.00 0.00 ENZA ATOM 258 OE1 GLU 20 7.664 13.121 -16.129 0.00 0.00 ENZA ATOM 259 OE2 GLU 20 6.799 14.041 -14.289 0.00 0.00 ENZA ATOM 260 C GLU 20 4.805 8.714 -16.181 0.00 0.00 ENZA ATOM 261 O GLU 20 5.007 8.234 -17.291 0.00 0.00 ENZA ATOM 262 N GLN 21 4.829 7.892 -15.133 0.00 0.00 ENZA ATOM 263 HN GLN 21 4.519 8.205 -14.238 0.00 0.00 ENZA ATOM 264 CA GLN 21 4.909 6.420 -15.186 0.00 0.00 ENZA ATOM 265 HA GLN 21 5.897 6.229 -15.590 0.00 0.00 ENZA ATOM 266 CB GLN 21 4.856 5.782 -13.771 0.00 0.00 ENZA ATOM 267 HB1 GLN 21 3.922 6.231 -13.360 0.00 0.00 ENZA ATOM 268 HB2 GLN 21 4.718 4.679 -13.729 0.00 0.00 ENZA ATOM 269 CG GLN 21 6.086 6.154 -12.900 0.00 0.00 ENZA ATOM 270 HG1 GLN 21 6.485 7.172 -13.092 0.00 0.00 ENZA ATOM 271 HG2 GLN 21 5.825 6.208 -11.822 0.00 0.00 ENZA ATOM 272 CD GLN 21 7.356 5.222 -12.999 0.00 0.00 ENZA ATOM 273 OE1 GLN 21 7.922 5.268 -14.045 0.00 0.00 ENZA ATOM 274 NE2 GLN 21 7.724 4.379 -12.036 0.00 0.00 ENZA ATOM 275 HE21 GLN 21 8.446 3.767 -12.346 0.00 0.00 ENZA ATOM 276 HE22 GLN 21 7.195 4.215 -11.210 0.00 0.00 ENZA ATOM 277 C GLN 21 3.956 5.603 -16.082 0.00 0.00 ENZA ATOM 278 O GLN 21 4.401 4.635 -16.678 0.00 0.00 ENZA ATOM 279 N VAL 22 2.684 6.085 -16.157 0.00 0.00 ENZA ATOM 280 HN VAL 22 2.348 6.770 -15.514 0.00 0.00 ENZA ATOM 281 CA VAL 22 1.789 5.430 -17.151 0.00 0.00 ENZA ATOM 282 HA VAL 22 2.275 4.539 -17.527 0.00 0.00 ENZA ATOM 283 CB VAL 22 0.408 4.995 -16.551 0.00 0.00 ENZA ATOM 284 HB VAL 22 -0.298 4.577 -17.309 0.00 0.00 ENZA ATOM 285 CG1 VAL 22 0.569 3.899 -15.470 0.00 0.00 ENZA ATOM 286 HG11 VAL 22 0.954 2.911 -15.806 0.00 0.00 ENZA ATOM 287 HG12 VAL 22 1.220 4.240 -14.637 0.00 0.00 ENZA ATOM 288 HG13 VAL 22 -0.445 3.753 -15.040 0.00 0.00 ENZA ATOM 289 CG2 VAL 22 -0.308 6.226 -16.060 0.00 0.00 ENZA ATOM 290 HG21 VAL 22 0.214 6.693 -15.198 0.00 0.00 ENZA ATOM 291 HG22 VAL 22 -0.489 7.053 -16.780 0.00 0.00 ENZA ATOM 292 HG23 VAL 22 -1.242 5.924 -15.543 0.00 0.00 ENZA ATOM 293 C VAL 22 1.656 6.264 -18.501 0.00 0.00 ENZA ATOM 294 O VAL 22 0.748 6.030 -19.230 0.00 0.00 ENZA ATOM 295 N LYS 23 2.666 7.033 -18.782 0.00 0.00 ENZA ATOM 296 HN LYS 23 3.298 7.247 -18.041 0.00 0.00 ENZA ATOM 297 CA LYS 23 2.914 7.734 -20.082 0.00 0.00 ENZA ATOM 298 HA LYS 23 3.833 8.247 -19.828 0.00 0.00 ENZA ATOM 299 CB LYS 23 3.142 6.915 -21.290 0.00 0.00 ENZA ATOM 300 HB1 LYS 23 2.152 6.521 -21.619 0.00 0.00 ENZA ATOM 301 HB2 LYS 23 3.643 7.545 -22.060 0.00 0.00 ENZA ATOM 302 CG LYS 23 4.065 5.712 -21.048 0.00 0.00 ENZA ATOM 303 HG1 LYS 23 3.617 5.135 -20.207 0.00 0.00 ENZA ATOM 304 HG2 LYS 23 3.830 5.039 -21.905 0.00 0.00 ENZA ATOM 305 CD LYS 23 5.577 5.928 -20.921 0.00 0.00 ENZA ATOM 306 HD1 LYS 23 5.880 6.565 -21.782 0.00 0.00 ENZA ATOM 307 HD2 LYS 23 5.797 6.640 -20.093 0.00 0.00 ENZA ATOM 308 CE LYS 23 6.448 4.660 -20.849 0.00 0.00 ENZA ATOM 309 HE1 LYS 23 5.985 3.893 -20.188 0.00 0.00 ENZA ATOM 310 HE2 LYS 23 6.512 4.142 -21.831 0.00 0.00 ENZA ATOM 311 NZ LYS 23 7.790 4.984 -20.472 0.00 0.00 ENZA ATOM 312 HZ1 LYS 23 7.999 5.264 -19.491 0.00 0.00 ENZA ATOM 313 HZ2 LYS 23 8.393 4.138 -20.504 0.00 0.00 ENZA ATOM 314 HZ3 LYS 23 8.300 5.605 -21.132 0.00 0.00 ENZA ATOM 315 C LYS 23 1.963 8.947 -20.422 0.00 0.00 ENZA ATOM 316 O LYS 23 1.979 9.462 -21.549 0.00 0.00 ENZA ATOM 317 N MET 24 1.053 9.433 -19.553 0.00 0.00 ENZA ATOM 318 HN MET 24 1.056 9.109 -18.609 0.00 0.00 ENZA ATOM 319 CA MET 24 0.045 10.360 -19.959 0.00 0.00 ENZA ATOM 320 HA MET 24 -0.252 10.046 -20.952 0.00 0.00 ENZA ATOM 321 CB MET 24 -1.291 10.169 -19.197 0.00 0.00 ENZA ATOM 322 HB1 MET 24 -1.212 10.531 -18.144 0.00 0.00 ENZA ATOM 323 HB2 MET 24 -2.031 10.796 -19.740 0.00 0.00 ENZA ATOM 324 CG MET 24 -1.767 8.659 -19.212 0.00 0.00 ENZA ATOM 325 HG1 MET 24 -1.752 8.359 -20.281 0.00 0.00 ENZA ATOM 326 HG2 MET 24 -1.097 8.016 -18.600 0.00 0.00 ENZA ATOM 327 SD MET 24 -3.430 8.348 -18.662 0.00 0.00 ENZA ATOM 328 CE MET 24 -3.228 6.572 -18.549 0.00 0.00 ENZA ATOM 329 HE1 MET 24 -4.057 6.281 -17.868 0.00 0.00 ENZA ATOM 330 HE2 MET 24 -3.512 6.095 -19.513 0.00 0.00 ENZA ATOM 331 HE3 MET 24 -2.268 6.180 -18.148 0.00 0.00 ENZA ATOM 332 C MET 24 0.508 11.821 -19.867 0.00 0.00 ENZA ATOM 333 O MET 24 1.369 12.196 -19.078 0.00 0.00 ENZA ATOM 334 N ASP 25 -0.119 12.687 -20.682 0.00 0.00 ENZA ATOM 335 HN ASP 25 -0.737 12.291 -21.357 0.00 0.00 ENZA ATOM 336 CA ASP 25 -0.134 14.122 -20.588 0.00 0.00 ENZA ATOM 337 HA ASP 25 0.751 14.488 -20.078 0.00 0.00 ENZA ATOM 338 CB ASP 25 0.089 14.727 -21.992 0.00 0.00 ENZA ATOM 339 HB1 ASP 25 0.226 15.803 -21.766 0.00 0.00 ENZA ATOM 340 HB2 ASP 25 1.073 14.404 -22.388 0.00 0.00 ENZA ATOM 341 CG ASP 25 -0.994 14.558 -23.038 0.00 0.00 ENZA ATOM 342 OD1 ASP 25 -1.859 13.686 -22.820 0.00 0.00 ENZA ATOM 343 OD2 ASP 25 -1.052 15.386 -23.957 0.00 0.00 ENZA ATOM 344 C ASP 25 -1.409 14.569 -19.784 0.00 0.00 ENZA ATOM 345 O ASP 25 -2.052 13.723 -19.156 0.00 0.00 ENZA ATOM 346 N HSP 26 -1.675 15.840 -19.637 0.00 0.00 ENZA ATOM 347 HN HSP 26 -1.005 16.492 -20.002 0.00 0.00 ENZA ATOM 348 CA HSP 26 -2.953 16.324 -19.067 0.00 0.00 ENZA ATOM 349 HA HSP 26 -3.130 15.751 -18.166 0.00 0.00 ENZA ATOM 350 CB HSP 26 -2.896 17.866 -18.869 0.00 0.00 ENZA ATOM 351 HB1 HSP 26 -2.498 18.282 -19.819 0.00 0.00 ENZA ATOM 352 HB2 HSP 26 -3.902 18.194 -18.523 0.00 0.00 ENZA ATOM 353 CD2 HSP 26 -0.935 17.626 -17.097 0.00 0.00 ENZA ATOM 354 HD2 HSP 26 -0.668 16.579 -16.982 0.00 0.00 ENZA ATOM 355 CG HSP 26 -1.955 18.335 -17.775 0.00 0.00 ENZA ATOM 356 NE2 HSP 26 -0.366 18.596 -16.239 0.00 0.00 ENZA ATOM 357 HE2 HSP 26 0.260 18.397 -15.482 0.00 0.00 ENZA ATOM 358 ND1 HSP 26 -1.940 19.624 -17.269 0.00 0.00 ENZA ATOM 359 HD1 HSP 26 -2.485 20.396 -17.603 0.00 0.00 ENZA ATOM 360 CE1 HSP 26 -0.958 19.760 -16.438 0.00 0.00 ENZA ATOM 361 HE1 HSP 26 -0.667 20.726 -16.055 0.00 0.00 ENZA ATOM 362 C HSP 26 -4.164 16.016 -19.937 0.00 0.00 ENZA ATOM 363 O HSP 26 -5.247 15.676 -19.364 0.00 0.00 ENZA ATOM 364 N ALA 27 -4.030 16.078 -21.250 0.00 0.00 ENZA ATOM 365 HN ALA 27 -3.095 16.297 -21.533 0.00 0.00 ENZA ATOM 366 CA ALA 27 -5.093 15.873 -22.258 0.00 0.00 ENZA ATOM 367 HA ALA 27 -5.904 16.521 -21.950 0.00 0.00 ENZA ATOM 368 CB ALA 27 -4.724 16.192 -23.715 0.00 0.00 ENZA ATOM 369 HB1 ALA 27 -4.300 17.211 -23.828 0.00 0.00 ENZA ATOM 370 HB2 ALA 27 -3.902 15.468 -23.904 0.00 0.00 ENZA ATOM 371 HB3 ALA 27 -5.632 16.113 -24.351 0.00 0.00 ENZA ATOM 372 C ALA 27 -5.650 14.465 -22.254 0.00 0.00 ENZA ATOM 373 O ALA 27 -6.848 14.283 -22.322 0.00 0.00 ENZA ATOM 374 N ALA 28 -4.737 13.449 -22.040 0.00 0.00 ENZA ATOM 375 HN ALA 28 -3.751 13.609 -22.006 0.00 0.00 ENZA ATOM 376 CA ALA 28 -4.890 12.042 -22.066 0.00 0.00 ENZA ATOM 377 HA ALA 28 -5.567 11.713 -22.845 0.00 0.00 ENZA ATOM 378 CB ALA 28 -3.533 11.348 -22.155 0.00 0.00 ENZA ATOM 379 HB1 ALA 28 -3.595 10.249 -22.007 0.00 0.00 ENZA ATOM 380 HB2 ALA 28 -3.071 11.663 -23.117 0.00 0.00 ENZA ATOM 381 HB3 ALA 28 -2.859 11.693 -21.342 0.00 0.00 ENZA ATOM 382 C ALA 28 -5.595 11.684 -20.748 0.00 0.00 ENZA ATOM 383 O ALA 28 -6.683 11.077 -20.748 0.00 0.00 ENZA ATOM 384 N LEU 29 -4.993 12.092 -19.606 0.00 0.00 ENZA ATOM 385 HN LEU 29 -4.225 12.698 -19.809 0.00 0.00 ENZA ATOM 386 CA LEU 29 -5.498 11.934 -18.261 0.00 0.00 ENZA ATOM 387 HA LEU 29 -5.703 10.880 -18.132 0.00 0.00 ENZA ATOM 388 CB LEU 29 -4.569 12.472 -17.166 0.00 0.00 ENZA ATOM 389 HB1 LEU 29 -3.612 11.988 -17.470 0.00 0.00 ENZA ATOM 390 HB2 LEU 29 -4.527 13.583 -17.195 0.00 0.00 ENZA ATOM 391 CG LEU 29 -4.874 12.088 -15.693 0.00 0.00 ENZA ATOM 392 HG LEU 29 -5.141 11.004 -15.645 0.00 0.00 ENZA ATOM 393 CD1 LEU 29 -3.687 12.197 -14.800 0.00 0.00 ENZA ATOM 394 HD11 LEU 29 -3.234 13.208 -14.882 0.00 0.00 ENZA ATOM 395 HD12 LEU 29 -3.894 11.983 -13.729 0.00 0.00 ENZA ATOM 396 HD13 LEU 29 -2.826 11.590 -15.158 0.00 0.00 ENZA ATOM 397 CD2 LEU 29 -6.002 13.036 -15.145 0.00 0.00 ENZA ATOM 398 HD21 LEU 29 -7.043 12.661 -15.248 0.00 0.00 ENZA ATOM 399 HD22 LEU 29 -5.911 13.422 -14.110 0.00 0.00 ENZA ATOM 400 HD23 LEU 29 -6.036 13.984 -15.723 0.00 0.00 ENZA ATOM 401 C LEU 29 -6.905 12.484 -18.121 0.00 0.00 ENZA ATOM 402 O LEU 29 -7.815 11.736 -17.818 0.00 0.00 ENZA ATOM 403 N ALA 30 -7.112 13.784 -18.350 0.00 0.00 ENZA ATOM 404 HN ALA 30 -6.330 14.320 -18.660 0.00 0.00 ENZA ATOM 405 CA ALA 30 -8.350 14.514 -18.067 0.00 0.00 ENZA ATOM 406 HA ALA 30 -8.466 14.438 -16.991 0.00 0.00 ENZA ATOM 407 CB ALA 30 -8.032 15.944 -18.429 0.00 0.00 ENZA ATOM 408 HB1 ALA 30 -7.884 16.098 -19.519 0.00 0.00 ENZA ATOM 409 HB2 ALA 30 -8.803 16.676 -18.102 0.00 0.00 ENZA ATOM 410 HB3 ALA 30 -7.130 16.206 -17.838 0.00 0.00 ENZA ATOM 411 C ALA 30 -9.542 13.918 -18.857 0.00 0.00 ENZA ATOM 412 O ALA 30 -10.620 14.011 -18.436 0.00 0.00 ENZA ATOM 413 N SER 31 -9.239 13.348 -20.020 0.00 0.00 ENZA ATOM 414 HN SER 31 -8.313 13.369 -20.395 0.00 0.00 ENZA ATOM 415 CA SER 31 -10.207 12.677 -20.805 0.00 0.00 ENZA ATOM 416 HA SER 31 -11.022 13.385 -20.869 0.00 0.00 ENZA ATOM 417 CB SER 31 -9.751 12.464 -22.238 0.00 0.00 ENZA ATOM 418 HB1 SER 31 -9.062 11.606 -22.410 0.00 0.00 ENZA ATOM 419 HB2 SER 31 -10.662 12.280 -22.852 0.00 0.00 ENZA ATOM 420 OG SER 31 -9.172 13.559 -22.808 0.00 0.00 ENZA ATOM 421 HG1 SER 31 -8.220 13.539 -22.648 0.00 0.00 ENZA ATOM 422 C SER 31 -10.742 11.403 -20.362 0.00 0.00 ENZA ATOM 423 O SER 31 -11.936 11.199 -20.288 0.00 0.00 ENZA ATOM 424 N LEU 32 -9.912 10.549 -19.906 0.00 0.00 ENZA ATOM 425 HN LEU 32 -8.942 10.780 -19.957 0.00 0.00 ENZA ATOM 426 CA LEU 32 -10.308 9.239 -19.300 0.00 0.00 ENZA ATOM 427 HA LEU 32 -11.056 8.795 -19.944 0.00 0.00 ENZA ATOM 428 CB LEU 32 -9.124 8.314 -19.006 0.00 0.00 ENZA ATOM 429 HB1 LEU 32 -8.529 8.839 -18.223 0.00 0.00 ENZA ATOM 430 HB2 LEU 32 -9.484 7.323 -18.648 0.00 0.00 ENZA ATOM 431 CG LEU 32 -8.260 8.096 -20.169 0.00 0.00 ENZA ATOM 432 HG LEU 32 -7.896 9.065 -20.588 0.00 0.00 ENZA ATOM 433 CD1 LEU 32 -7.012 7.406 -19.605 0.00 0.00 ENZA ATOM 434 HD11 LEU 32 -7.201 6.386 -19.207 0.00 0.00 ENZA ATOM 435 HD12 LEU 32 -6.225 7.270 -20.378 0.00 0.00 ENZA ATOM 436 HD13 LEU 32 -6.597 7.967 -18.741 0.00 0.00 ENZA ATOM 437 CD2 LEU 32 -8.907 7.290 -21.232 0.00 0.00 ENZA ATOM 438 HD21 LEU 32 -9.119 6.303 -20.766 0.00 0.00 ENZA ATOM 439 HD22 LEU 32 -9.899 7.659 -21.561 0.00 0.00 ENZA ATOM 440 HD23 LEU 32 -8.199 7.162 -22.080 0.00 0.00 ENZA ATOM 441 C LEU 32 -10.993 9.505 -18.000 0.00 0.00 ENZA ATOM 442 O LEU 32 -12.025 8.916 -17.689 0.00 0.00 ENZA ATOM 443 N LEU 33 -10.461 10.495 -17.258 0.00 0.00 ENZA ATOM 444 HN LEU 33 -9.763 11.066 -17.683 0.00 0.00 ENZA ATOM 445 CA LEU 33 -11.032 10.874 -15.917 0.00 0.00 ENZA ATOM 446 HA LEU 33 -11.225 9.993 -15.318 0.00 0.00 ENZA ATOM 447 CB LEU 33 -9.899 11.708 -15.260 0.00 0.00 ENZA ATOM 448 HB1 LEU 33 -8.890 11.240 -15.316 0.00 0.00 ENZA ATOM 449 HB2 LEU 33 -9.871 12.709 -15.745 0.00 0.00 ENZA ATOM 450 CG LEU 33 -10.147 12.016 -13.800 0.00 0.00 ENZA ATOM 451 HG LEU 33 -11.084 12.618 -13.883 0.00 0.00 ENZA ATOM 452 CD1 LEU 33 -10.030 10.776 -12.928 0.00 0.00 ENZA ATOM 453 HD11 LEU 33 -10.198 10.965 -11.845 0.00 0.00 ENZA ATOM 454 HD12 LEU 33 -10.771 10.007 -13.236 0.00 0.00 ENZA ATOM 455 HD13 LEU 33 -9.073 10.257 -13.149 0.00 0.00 ENZA ATOM 456 CD2 LEU 33 -9.056 13.021 -13.313 0.00 0.00 ENZA ATOM 457 HD21 LEU 33 -9.463 13.300 -12.317 0.00 0.00 ENZA ATOM 458 HD22 LEU 33 -8.066 12.527 -13.228 0.00 0.00 ENZA ATOM 459 HD23 LEU 33 -8.901 13.908 -13.963 0.00 0.00 ENZA ATOM 460 C LEU 33 -12.356 11.619 -15.982 0.00 0.00 ENZA ATOM 461 O LEU 33 -13.293 11.220 -15.288 0.00 0.00 ENZA ATOM 462 N GLY 34 -12.557 12.632 -16.796 0.00 0.00 ENZA ATOM 463 HN GLY 34 -11.797 12.984 -17.341 0.00 0.00 ENZA ATOM 464 CA GLY 34 -13.768 13.338 -17.120 0.00 0.00 ENZA ATOM 465 HA1 GLY 34 -14.596 12.843 -16.633 0.00 0.00 ENZA ATOM 466 HA2 GLY 34 -13.782 13.349 -18.203 0.00 0.00 ENZA ATOM 467 C GLY 34 -13.788 14.691 -16.572 0.00 0.00 ENZA ATOM 468 O GLY 34 -14.682 15.144 -15.903 0.00 0.00 ENZA ATOM 469 N GLU 35 -12.746 15.460 -16.835 0.00 0.00 ENZA ATOM 470 HN GLU 35 -12.018 15.173 -17.453 0.00 0.00 ENZA ATOM 471 CA GLU 35 -12.617 16.805 -16.279 0.00 0.00 ENZA ATOM 472 HA GLU 35 -13.567 17.184 -15.924 0.00 0.00 ENZA ATOM 473 CB GLU 35 -11.575 16.802 -15.146 0.00 0.00 ENZA ATOM 474 HB1 GLU 35 -10.570 16.530 -15.546 0.00 0.00 ENZA ATOM 475 HB2 GLU 35 -11.589 17.819 -14.696 0.00 0.00 ENZA ATOM 476 CG GLU 35 -11.973 16.017 -13.955 0.00 0.00 ENZA ATOM 477 HG1 GLU 35 -13.030 16.155 -13.663 0.00 0.00 ENZA ATOM 478 HG2 GLU 35 -11.779 14.973 -14.275 0.00 0.00 ENZA ATOM 479 CD GLU 35 -11.037 16.312 -12.822 0.00 0.00 ENZA ATOM 480 OE1 GLU 35 -9.841 16.325 -12.943 0.00 0.00 ENZA ATOM 481 OE2 GLU 35 -11.751 16.578 -11.733 0.00 0.00 ENZA ATOM 482 HE2 GLU 35 -11.126 16.784 -11.034 0.00 0.00 ENZA ATOM 483 C GLU 35 -12.134 17.741 -17.390 0.00 0.00 ENZA ATOM 484 O GLU 35 -11.912 17.355 -18.541 0.00 0.00 ENZA ATOM 485 N THR 36 -11.938 18.988 -16.919 0.00 0.00 ENZA ATOM 486 HN THR 36 -12.225 19.337 -16.028 0.00 0.00 ENZA ATOM 487 CA THR 36 -11.106 19.984 -17.602 0.00 0.00 ENZA ATOM 488 HA THR 36 -11.276 19.656 -18.619 0.00 0.00 ENZA ATOM 489 CB THR 36 -11.407 21.511 -17.390 0.00 0.00 ENZA ATOM 490 HB THR 36 -10.650 22.059 -18.003 0.00 0.00 ENZA ATOM 491 OG1 THR 36 -11.375 21.862 -16.054 0.00 0.00 ENZA ATOM 492 HG1 THR 36 -11.367 22.826 -16.036 0.00 0.00 ENZA ATOM 493 CG2 THR 36 -12.811 21.786 -17.933 0.00 0.00 ENZA ATOM 494 HG21 THR 36 -12.901 22.887 -18.044 0.00 0.00 ENZA ATOM 495 HG22 THR 36 -12.980 21.348 -18.939 0.00 0.00 ENZA ATOM 496 HG23 THR 36 -13.664 21.528 -17.270 0.00 0.00 ENZA ATOM 497 C THR 36 -9.640 19.785 -17.377 0.00 0.00 ENZA ATOM 498 O THR 36 -9.177 19.283 -16.355 0.00 0.00 ENZA ATOM 499 N PRO 37 -8.762 20.228 -18.298 0.00 0.00 ENZA ATOM 500 CD PRO 37 -9.036 20.054 -19.759 0.00 0.00 ENZA ATOM 501 HD1 PRO 37 -9.625 19.129 -19.962 0.00 0.00 ENZA ATOM 502 HD2 PRO 37 -9.659 20.858 -20.212 0.00 0.00 ENZA ATOM 503 CA PRO 37 -7.287 20.293 -17.983 0.00 0.00 ENZA ATOM 504 HA PRO 37 -7.040 19.297 -17.636 0.00 0.00 ENZA ATOM 505 CB PRO 37 -6.621 20.671 -19.371 0.00 0.00 ENZA ATOM 506 HB1 PRO 37 -5.583 20.277 -19.442 0.00 0.00 ENZA ATOM 507 HB2 PRO 37 -6.718 21.757 -19.577 0.00 0.00 ENZA ATOM 508 CG PRO 37 -7.558 19.859 -20.273 0.00 0.00 ENZA ATOM 509 HG1 PRO 37 -7.328 18.785 -20.127 0.00 0.00 ENZA ATOM 510 HG2 PRO 37 -7.448 20.136 -21.347 0.00 0.00 ENZA ATOM 511 C PRO 37 -6.891 21.186 -16.907 0.00 0.00 ENZA ATOM 512 O PRO 37 -5.829 21.019 -16.210 0.00 0.00 ENZA ATOM 513 N GLU 38 -7.693 22.262 -16.610 0.00 0.00 ENZA ATOM 514 HN GLU 38 -8.478 22.571 -17.139 0.00 0.00 ENZA ATOM 515 CA GLU 38 -7.292 23.108 -15.496 0.00 0.00 ENZA ATOM 516 HA GLU 38 -6.260 23.426 -15.575 0.00 0.00 ENZA ATOM 517 CB GLU 38 -8.047 24.491 -15.536 0.00 0.00 ENZA ATOM 518 HB1 GLU 38 -9.137 24.261 -15.553 0.00 0.00 ENZA ATOM 519 HB2 GLU 38 -7.798 24.994 -14.575 0.00 0.00 ENZA ATOM 520 CG GLU 38 -7.783 25.436 -16.732 0.00 0.00 ENZA ATOM 521 HG1 GLU 38 -8.136 26.476 -16.602 0.00 0.00 ENZA ATOM 522 HG2 GLU 38 -6.682 25.381 -16.847 0.00 0.00 ENZA ATOM 523 CD GLU 38 -8.394 24.940 -18.039 0.00 0.00 ENZA ATOM 524 OE1 GLU 38 -7.621 24.538 -18.947 0.00 0.00 ENZA ATOM 525 OE2 GLU 38 -9.647 24.758 -18.112 0.00 0.00 ENZA ATOM 526 C GLU 38 -7.512 22.547 -14.070 0.00 0.00 ENZA ATOM 527 O GLU 38 -6.792 22.814 -13.113 0.00 0.00 ENZA ATOM 528 N THR 39 -8.452 21.563 -13.907 0.00 0.00 ENZA ATOM 529 HN THR 39 -9.134 21.403 -14.619 0.00 0.00 ENZA ATOM 530 CA THR 39 -8.669 20.811 -12.641 0.00 0.00 ENZA ATOM 531 HA THR 39 -8.831 21.466 -11.794 0.00 0.00 ENZA ATOM 532 CB THR 39 -9.982 20.150 -12.675 0.00 0.00 ENZA ATOM 533 HB THR 39 -9.949 19.256 -13.346 0.00 0.00 ENZA ATOM 534 OG1 THR 39 -10.980 21.046 -13.134 0.00 0.00 ENZA ATOM 535 HG1 THR 39 -11.405 20.449 -13.760 0.00 0.00 ENZA ATOM 536 CG2 THR 39 -10.515 19.740 -11.274 0.00 0.00 ENZA ATOM 537 HG21 THR 39 -9.768 19.178 -10.674 0.00 0.00 ENZA ATOM 538 HG22 THR 39 -10.840 20.628 -10.688 0.00 0.00 ENZA ATOM 539 HG23 THR 39 -11.374 19.086 -11.540 0.00 0.00 ENZA ATOM 540 C THR 39 -7.521 19.866 -12.297 0.00 0.00 ENZA ATOM 541 O THR 39 -6.964 19.788 -11.218 0.00 0.00 ENZA ATOM 542 N VAL 40 -6.970 19.272 -13.369 0.00 0.00 ENZA ATOM 543 HN VAL 40 -7.415 19.340 -14.258 0.00 0.00 ENZA ATOM 544 CA VAL 40 -5.876 18.367 -13.330 0.00 0.00 ENZA ATOM 545 HA VAL 40 -5.964 17.641 -12.530 0.00 0.00 ENZA ATOM 546 CB VAL 40 -5.710 17.520 -14.525 0.00 0.00 ENZA ATOM 547 HB VAL 40 -5.428 18.200 -15.367 0.00 0.00 ENZA ATOM 548 CG1 VAL 40 -4.730 16.419 -14.365 0.00 0.00 ENZA ATOM 549 HG11 VAL 40 -3.689 16.788 -14.238 0.00 0.00 ENZA ATOM 550 HG12 VAL 40 -5.090 15.638 -13.664 0.00 0.00 ENZA ATOM 551 HG13 VAL 40 -4.666 15.751 -15.251 0.00 0.00 ENZA ATOM 552 CG2 VAL 40 -7.075 17.014 -14.881 0.00 0.00 ENZA ATOM 553 HG21 VAL 40 -7.813 17.780 -15.197 0.00 0.00 ENZA ATOM 554 HG22 VAL 40 -6.891 16.306 -15.719 0.00 0.00 ENZA ATOM 555 HG23 VAL 40 -7.529 16.492 -14.013 0.00 0.00 ENZA ATOM 556 C VAL 40 -4.583 19.160 -13.007 0.00 0.00 ENZA ATOM 557 O VAL 40 -3.865 18.824 -12.085 0.00 0.00 ENZA ATOM 558 N ALA 41 -4.374 20.279 -13.770 0.00 0.00 ENZA ATOM 559 HN ALA 41 -4.852 20.583 -14.595 0.00 0.00 ENZA ATOM 560 CA ALA 41 -3.227 21.179 -13.413 0.00 0.00 ENZA ATOM 561 HA ALA 41 -2.310 20.600 -13.463 0.00 0.00 ENZA ATOM 562 CB ALA 41 -3.192 22.364 -14.400 0.00 0.00 ENZA ATOM 563 HB1 ALA 41 -4.188 22.853 -14.360 0.00 0.00 ENZA ATOM 564 HB2 ALA 41 -2.312 23.041 -14.333 0.00 0.00 ENZA ATOM 565 HB3 ALA 41 -3.076 21.890 -15.400 0.00 0.00 ENZA ATOM 566 C ALA 41 -3.273 21.791 -12.038 0.00 0.00 ENZA ATOM 567 O ALA 41 -2.284 21.732 -11.347 0.00 0.00 ENZA ATOM 568 N ALA 42 -4.385 22.321 -11.548 0.00 0.00 ENZA ATOM 569 HN ALA 42 -5.217 22.440 -12.092 0.00 0.00 ENZA ATOM 570 CA ALA 42 -4.492 22.821 -10.196 0.00 0.00 ENZA ATOM 571 HA ALA 42 -3.783 23.622 -10.015 0.00 0.00 ENZA ATOM 572 CB ALA 42 -5.984 23.381 -10.019 0.00 0.00 ENZA ATOM 573 HB1 ALA 42 -6.141 23.569 -8.935 0.00 0.00 ENZA ATOM 574 HB2 ALA 42 -6.169 24.310 -10.600 0.00 0.00 ENZA ATOM 575 HB3 ALA 42 -6.707 22.628 -10.395 0.00 0.00 ENZA ATOM 576 C ALA 42 -4.205 21.742 -9.195 0.00 0.00 ENZA ATOM 577 O ALA 42 -3.545 22.037 -8.218 0.00 0.00 ENZA ATOM 578 N TRP 43 -4.724 20.517 -9.438 0.00 0.00 ENZA ATOM 579 HN TRP 43 -5.252 20.231 -10.235 0.00 0.00 ENZA ATOM 580 CA TRP 43 -4.504 19.433 -8.492 0.00 0.00 ENZA ATOM 581 HA TRP 43 -4.687 19.846 -7.507 0.00 0.00 ENZA ATOM 582 CB TRP 43 -5.544 18.284 -8.620 0.00 0.00 ENZA ATOM 583 HB1 TRP 43 -5.591 18.071 -9.712 0.00 0.00 ENZA ATOM 584 HB2 TRP 43 -5.309 17.389 -8.003 0.00 0.00 ENZA ATOM 585 CG TRP 43 -7.001 18.556 -8.266 0.00 0.00 ENZA ATOM 586 CD1 TRP 43 -7.538 19.612 -7.568 0.00 0.00 ENZA ATOM 587 HD1 TRP 43 -6.947 20.502 -7.406 0.00 0.00 ENZA ATOM 588 NE1 TRP 43 -8.945 19.490 -7.464 0.00 0.00 ENZA ATOM 589 HE1 TRP 43 -9.564 20.085 -6.998 0.00 0.00 ENZA ATOM 590 CE2 TRP 43 -9.263 18.231 -7.882 0.00 0.00 ENZA ATOM 591 CD2 TRP 43 -8.111 17.676 -8.572 0.00 0.00 ENZA ATOM 592 CE3 TRP 43 -8.147 16.461 -9.304 0.00 0.00 ENZA ATOM 593 HE3 TRP 43 -7.222 16.134 -9.760 0.00 0.00 ENZA ATOM 594 CZ3 TRP 43 -9.376 15.886 -9.375 0.00 0.00 ENZA ATOM 595 HZ3 TRP 43 -9.416 14.972 -9.950 0.00 0.00 ENZA ATOM 596 CZ2 TRP 43 -10.456 17.502 -7.875 0.00 0.00 ENZA ATOM 597 HZ2 TRP 43 -11.327 17.851 -7.344 0.00 0.00 ENZA ATOM 598 CH2 TRP 43 -10.457 16.328 -8.615 0.00 0.00 ENZA ATOM 599 HH2 TRP 43 -11.392 15.784 -8.651 0.00 0.00 ENZA ATOM 600 C TRP 43 -3.075 18.875 -8.520 0.00 0.00 ENZA ATOM 601 O TRP 43 -2.550 18.553 -7.476 0.00 0.00 ENZA ATOM 602 N GLU 44 -2.525 18.765 -9.732 0.00 0.00 ENZA ATOM 603 HN GLU 44 -2.925 19.107 -10.576 0.00 0.00 ENZA ATOM 604 CA GLU 44 -1.162 18.321 -9.967 0.00 0.00 ENZA ATOM 605 HA GLU 44 -1.069 17.371 -9.452 0.00 0.00 ENZA ATOM 606 CB GLU 44 -0.975 18.134 -11.496 0.00 0.00 ENZA ATOM 607 HB1 GLU 44 -1.708 17.415 -11.928 0.00 0.00 ENZA ATOM 608 HB2 GLU 44 -1.207 19.117 -11.963 0.00 0.00 ENZA ATOM 609 CG GLU 44 0.397 17.544 -11.967 0.00 0.00 ENZA ATOM 610 HG1 GLU 44 1.252 18.203 -11.728 0.00 0.00 ENZA ATOM 611 HG2 GLU 44 0.581 16.611 -11.394 0.00 0.00 ENZA ATOM 612 CD GLU 44 0.440 17.086 -13.395 0.00 0.00 ENZA ATOM 613 OE1 GLU 44 1.215 17.727 -14.168 0.00 0.00 ENZA ATOM 614 OE2 GLU 44 -0.182 16.081 -13.817 0.00 0.00 ENZA ATOM 615 C GLU 44 -0.134 19.281 -9.436 0.00 0.00 ENZA ATOM 616 O GLU 44 0.929 18.946 -8.955 0.00 0.00 ENZA ATOM 617 N ASN 45 -0.526 20.587 -9.303 0.00 0.00 ENZA ATOM 618 HN ASN 45 -1.363 20.927 -9.732 0.00 0.00 ENZA ATOM 619 CA ASN 45 0.327 21.611 -8.661 0.00 0.00 ENZA ATOM 620 HA ASN 45 1.355 21.278 -8.750 0.00 0.00 ENZA ATOM 621 CB ASN 45 0.086 23.014 -9.255 0.00 0.00 ENZA ATOM 622 HB1 ASN 45 -1.014 23.124 -9.369 0.00 0.00 ENZA ATOM 623 HB2 ASN 45 0.450 23.856 -8.632 0.00 0.00 ENZA ATOM 624 CG ASN 45 0.726 23.115 -10.654 0.00 0.00 ENZA ATOM 625 OD1 ASN 45 1.295 22.099 -11.182 0.00 0.00 ENZA ATOM 626 ND2 ASN 45 0.707 24.335 -11.309 0.00 0.00 ENZA ATOM 627 HD21 ASN 45 1.246 24.344 -12.146 0.00 0.00 ENZA ATOM 628 HD22 ASN 45 0.154 25.144 -11.129 0.00 0.00 ENZA ATOM 629 C ASN 45 0.071 21.680 -7.190 0.00 0.00 ENZA ATOM 630 O ASN 45 0.837 22.326 -6.438 0.00 0.00 ENZA ATOM 631 N GLY 46 -1.082 21.085 -6.726 0.00 0.00 ENZA ATOM 632 HN GLY 46 -1.536 20.595 -7.469 0.00 0.00 ENZA ATOM 633 CA GLY 46 -1.605 21.174 -5.346 0.00 0.00 ENZA ATOM 634 HA1 GLY 46 -0.739 21.073 -4.708 0.00 0.00 ENZA ATOM 635 HA2 GLY 46 -2.376 20.431 -5.189 0.00 0.00 ENZA ATOM 636 C GLY 46 -2.263 22.443 -4.974 0.00 0.00 ENZA ATOM 637 O GLY 46 -2.254 22.835 -3.827 0.00 0.00 ENZA ATOM 638 N GLU 47 -2.949 23.155 -5.854 0.00 0.00 ENZA ATOM 639 HN GLU 47 -2.990 22.776 -6.776 0.00 0.00 ENZA ATOM 640 CA GLU 47 -3.738 24.358 -5.485 0.00 0.00 ENZA ATOM 641 HA GLU 47 -3.093 24.950 -4.847 0.00 0.00 ENZA ATOM 642 CB GLU 47 -4.038 25.294 -6.740 0.00 0.00 ENZA ATOM 643 HB1 GLU 47 -4.747 24.754 -7.410 0.00 0.00 ENZA ATOM 644 HB2 GLU 47 -4.524 26.240 -6.412 0.00 0.00 ENZA ATOM 645 CG GLU 47 -2.715 25.781 -7.418 0.00 0.00 ENZA ATOM 646 HG1 GLU 47 -2.166 26.489 -6.772 0.00 0.00 ENZA ATOM 647 HG2 GLU 47 -2.030 24.961 -7.714 0.00 0.00 ENZA ATOM 648 CD GLU 47 -2.865 26.739 -8.672 0.00 0.00 ENZA ATOM 649 OE1 GLU 47 -1.992 26.875 -9.527 0.00 0.00 ENZA ATOM 650 OE2 GLU 47 -4.130 27.193 -8.843 0.00 0.00 ENZA ATOM 651 HE2 GLU 47 -4.057 27.758 -9.618 0.00 0.00 ENZA ATOM 652 C GLU 47 -5.026 24.032 -4.670 0.00 0.00 ENZA ATOM 653 O GLU 47 -5.527 24.813 -3.890 0.00 0.00 ENZA ATOM 654 N GLY 48 -5.540 22.792 -4.758 0.00 0.00 ENZA ATOM 655 HN GLY 48 -5.139 21.986 -5.196 0.00 0.00 ENZA ATOM 656 CA GLY 48 -6.796 22.472 -4.189 0.00 0.00 ENZA ATOM 657 HA1 GLY 48 -7.550 23.000 -4.757 0.00 0.00 ENZA ATOM 658 HA2 GLY 48 -6.711 22.893 -3.198 0.00 0.00 ENZA ATOM 659 C GLY 48 -7.041 21.043 -4.222 0.00 0.00 ENZA ATOM 660 O GLY 48 -6.141 20.329 -4.698 0.00 0.00 ENZA ATOM 661 N GLY 49 -8.170 20.449 -3.793 0.00 0.00 ENZA ATOM 662 HN GLY 49 -8.910 21.031 -3.461 0.00 0.00 ENZA ATOM 663 CA GLY 49 -8.404 18.943 -3.896 0.00 0.00 ENZA ATOM 664 HA1 GLY 49 -7.435 18.470 -3.982 0.00 0.00 ENZA ATOM 665 HA2 GLY 49 -9.219 18.846 -4.600 0.00 0.00 ENZA ATOM 666 C GLY 49 -8.950 18.397 -2.630 0.00 0.00 ENZA ATOM 667 O GLY 49 -8.372 17.566 -1.999 0.00 0.00 ENZA ATOM 668 N GLU 50 -10.213 18.671 -2.362 0.00 0.00 ENZA ATOM 669 HN GLU 50 -10.657 19.392 -2.888 0.00 0.00 ENZA ATOM 670 CA GLU 50 -11.031 17.897 -1.467 0.00 0.00 ENZA ATOM 671 HA GLU 50 -10.424 17.570 -0.631 0.00 0.00 ENZA ATOM 672 CB GLU 50 -12.145 18.645 -0.927 0.00 0.00 ENZA ATOM 673 HB1 GLU 50 -12.827 18.891 -1.773 0.00 0.00 ENZA ATOM 674 HB2 GLU 50 -12.691 18.079 -0.139 0.00 0.00 ENZA ATOM 675 CG GLU 50 -11.633 19.862 -0.028 0.00 0.00 ENZA ATOM 676 HG1 GLU 50 -10.853 19.503 0.669 0.00 0.00 ENZA ATOM 677 HG2 GLU 50 -11.073 20.506 -0.734 0.00 0.00 ENZA ATOM 678 CD GLU 50 -12.787 20.539 0.701 0.00 0.00 ENZA ATOM 679 OE1 GLU 50 -13.647 21.173 0.216 0.00 0.00 ENZA ATOM 680 OE2 GLU 50 -12.721 20.378 2.094 0.00 0.00 ENZA ATOM 681 HE2 GLU 50 -13.480 20.717 2.573 0.00 0.00 ENZA ATOM 682 C GLU 50 -11.506 16.579 -2.059 0.00 0.00 ENZA ATOM 683 O GLU 50 -12.680 16.473 -2.432 0.00 0.00 ENZA ATOM 684 N LEU 51 -10.566 15.623 -2.237 0.00 0.00 ENZA ATOM 685 HN LEU 51 -9.659 15.958 -1.981 0.00 0.00 ENZA ATOM 686 CA LEU 51 -10.719 14.343 -2.916 0.00 0.00 ENZA ATOM 687 HA LEU 51 -11.344 14.494 -3.788 0.00 0.00 ENZA ATOM 688 CB LEU 51 -9.379 13.717 -3.348 0.00 0.00 ENZA ATOM 689 HB1 LEU 51 -8.744 13.608 -2.438 0.00 0.00 ENZA ATOM 690 HB2 LEU 51 -9.521 12.701 -3.777 0.00 0.00 ENZA ATOM 691 CG LEU 51 -8.703 14.567 -4.424 0.00 0.00 ENZA ATOM 692 HG LEU 51 -8.536 15.626 -4.107 0.00 0.00 ENZA ATOM 693 CD1 LEU 51 -7.300 14.068 -4.839 0.00 0.00 ENZA ATOM 694 HD11 LEU 51 -7.338 13.097 -5.378 0.00 0.00 ENZA ATOM 695 HD12 LEU 51 -6.827 14.803 -5.524 0.00 0.00 ENZA ATOM 696 HD13 LEU 51 -6.695 13.911 -3.920 0.00 0.00 ENZA ATOM 697 CD2 LEU 51 -9.527 14.648 -5.745 0.00 0.00 ENZA ATOM 698 HD21 LEU 51 -8.851 15.024 -6.542 0.00 0.00 ENZA ATOM 699 HD22 LEU 51 -9.883 13.646 -6.059 0.00 0.00 ENZA ATOM 700 HD23 LEU 51 -10.395 15.338 -5.653 0.00 0.00 ENZA ATOM 701 C LEU 51 -11.425 13.387 -2.057 0.00 0.00 ENZA ATOM 702 O LEU 51 -10.845 12.933 -1.108 0.00 0.00 ENZA ATOM 703 N THR 52 -12.672 12.998 -2.474 0.00 0.00 ENZA ATOM 704 HN THR 52 -13.160 13.488 -3.196 0.00 0.00 ENZA ATOM 705 CA THR 52 -13.386 11.906 -1.791 0.00 0.00 ENZA ATOM 706 HA THR 52 -13.457 12.108 -0.730 0.00 0.00 ENZA ATOM 707 CB THR 52 -14.911 11.802 -2.279 0.00 0.00 ENZA ATOM 708 HB THR 52 -15.401 10.925 -1.790 0.00 0.00 ENZA ATOM 709 OG1 THR 52 -14.993 11.627 -3.718 0.00 0.00 ENZA ATOM 710 HG1 THR 52 -15.817 12.086 -3.921 0.00 0.00 ENZA ATOM 711 CG2 THR 52 -15.567 13.115 -1.839 0.00 0.00 ENZA ATOM 712 HG21 THR 52 -16.604 13.291 -2.198 0.00 0.00 ENZA ATOM 713 HG22 THR 52 -15.649 13.317 -0.750 0.00 0.00 ENZA ATOM 714 HG23 THR 52 -14.974 13.946 -2.278 0.00 0.00 ENZA ATOM 715 C THR 52 -12.738 10.514 -2.005 0.00 0.00 ENZA ATOM 716 O THR 52 -11.793 10.271 -2.677 0.00 0.00 ENZA ATOM 717 N LEU 53 -13.259 9.497 -1.295 0.00 0.00 ENZA ATOM 718 HN LEU 53 -14.003 9.620 -0.640 0.00 0.00 ENZA ATOM 719 CA LEU 53 -12.898 8.074 -1.457 0.00 0.00 ENZA ATOM 720 HA LEU 53 -11.828 8.054 -1.300 0.00 0.00 ENZA ATOM 721 CB LEU 53 -13.535 7.209 -0.318 0.00 0.00 ENZA ATOM 722 HB1 LEU 53 -13.243 7.676 0.650 0.00 0.00 ENZA ATOM 723 HB2 LEU 53 -14.647 7.228 -0.328 0.00 0.00 ENZA ATOM 724 CG LEU 53 -12.955 5.789 -0.276 0.00 0.00 ENZA ATOM 725 HG LEU 53 -12.119 5.840 -1.015 0.00 0.00 ENZA ATOM 726 CD1 LEU 53 -12.474 5.516 1.160 0.00 0.00 ENZA ATOM 727 HD11 LEU 53 -11.747 4.676 1.208 0.00 0.00 ENZA ATOM 728 HD12 LEU 53 -12.000 6.368 1.693 0.00 0.00 ENZA ATOM 729 HD13 LEU 53 -13.371 5.200 1.732 0.00 0.00 ENZA ATOM 730 CD2 LEU 53 -13.934 4.872 -0.975 0.00 0.00 ENZA ATOM 731 HD21 LEU 53 -14.246 5.276 -1.964 0.00 0.00 ENZA ATOM 732 HD22 LEU 53 -13.528 3.861 -1.178 0.00 0.00 ENZA ATOM 733 HD23 LEU 53 -14.868 4.840 -0.374 0.00 0.00 ENZA ATOM 734 C LEU 53 -13.283 7.613 -2.899 0.00 0.00 ENZA ATOM 735 O LEU 53 -12.504 6.885 -3.555 0.00 0.00 ENZA ATOM 736 N THR 54 -14.387 7.950 -3.518 0.00 0.00 ENZA ATOM 737 HN THR 54 -15.010 8.499 -2.963 0.00 0.00 ENZA ATOM 738 CA THR 54 -14.689 7.641 -4.889 0.00 0.00 ENZA ATOM 739 HA THR 54 -14.577 6.571 -5.002 0.00 0.00 ENZA ATOM 740 CB THR 54 -16.107 8.075 -5.286 0.00 0.00 ENZA ATOM 741 HB THR 54 -16.147 9.040 -5.846 0.00 0.00 ENZA ATOM 742 OG1 THR 54 -16.918 8.143 -4.184 0.00 0.00 ENZA ATOM 743 HG1 THR 54 -17.804 8.328 -4.509 0.00 0.00 ENZA ATOM 744 CG2 THR 54 -16.654 7.037 -6.248 0.00 0.00 ENZA ATOM 745 HG21 THR 54 -17.745 7.214 -6.364 0.00 0.00 ENZA ATOM 746 HG22 THR 54 -16.158 7.137 -7.236 0.00 0.00 ENZA ATOM 747 HG23 THR 54 -16.570 5.977 -5.924 0.00 0.00 ENZA ATOM 748 C THR 54 -13.805 8.280 -5.955 0.00 0.00 ENZA ATOM 749 O THR 54 -13.330 7.560 -6.904 0.00 0.00 ENZA ATOM 750 N GLN 55 -13.475 9.554 -5.753 0.00 0.00 ENZA ATOM 751 HN GLN 55 -13.903 10.208 -5.131 0.00 0.00 ENZA ATOM 752 CA GLN 55 -12.393 10.216 -6.426 0.00 0.00 ENZA ATOM 753 HA GLN 55 -12.432 10.024 -7.491 0.00 0.00 ENZA ATOM 754 CB GLN 55 -12.323 11.760 -6.146 0.00 0.00 ENZA ATOM 755 HB1 GLN 55 -12.267 11.810 -5.033 0.00 0.00 ENZA ATOM 756 HB2 GLN 55 -11.381 12.205 -6.537 0.00 0.00 ENZA ATOM 757 CG GLN 55 -13.631 12.453 -6.606 0.00 0.00 ENZA ATOM 758 HG1 GLN 55 -13.816 12.304 -7.692 0.00 0.00 ENZA ATOM 759 HG2 GLN 55 -14.489 12.076 -6.012 0.00 0.00 ENZA ATOM 760 CD GLN 55 -13.554 13.990 -6.351 0.00 0.00 ENZA ATOM 761 OE1 GLN 55 -13.419 14.494 -5.272 0.00 0.00 ENZA ATOM 762 NE2 GLN 55 -13.795 14.754 -7.416 0.00 0.00 ENZA ATOM 763 HE21 GLN 55 -14.064 15.689 -7.202 0.00 0.00 ENZA ATOM 764 HE22 GLN 55 -13.654 14.467 -8.358 0.00 0.00 ENZA ATOM 765 C GLN 55 -11.038 9.620 -6.229 0.00 0.00 ENZA ATOM 766 O GLN 55 -10.345 9.401 -7.269 0.00 0.00 ENZA ATOM 767 N LEU 56 -10.524 9.283 -5.063 0.00 0.00 ENZA ATOM 768 HN LEU 56 -11.038 9.414 -4.217 0.00 0.00 ENZA ATOM 769 CA LEU 56 -9.331 8.390 -4.971 0.00 0.00 ENZA ATOM 770 HA LEU 56 -8.596 9.021 -5.456 0.00 0.00 ENZA ATOM 771 CB LEU 56 -8.974 8.270 -3.485 0.00 0.00 ENZA ATOM 772 HB1 LEU 56 -9.868 7.886 -2.942 0.00 0.00 ENZA ATOM 773 HB2 LEU 56 -8.080 7.635 -3.303 0.00 0.00 ENZA ATOM 774 CG LEU 56 -8.509 9.642 -2.869 0.00 0.00 ENZA ATOM 775 HG LEU 56 -9.229 10.481 -3.032 0.00 0.00 ENZA ATOM 776 CD1 LEU 56 -8.641 9.505 -1.327 0.00 0.00 ENZA ATOM 777 HD11 LEU 56 -9.702 9.311 -1.060 0.00 0.00 ENZA ATOM 778 HD12 LEU 56 -8.057 8.666 -0.894 0.00 0.00 ENZA ATOM 779 HD13 LEU 56 -8.372 10.457 -0.822 0.00 0.00 ENZA ATOM 780 CD2 LEU 56 -7.078 10.097 -3.342 0.00 0.00 ENZA ATOM 781 HD21 LEU 56 -7.015 10.083 -4.452 0.00 0.00 ENZA ATOM 782 HD22 LEU 56 -6.807 11.091 -2.930 0.00 0.00 ENZA ATOM 783 HD23 LEU 56 -6.331 9.421 -2.875 0.00 0.00 ENZA ATOM 784 C LEU 56 -9.355 7.052 -5.701 0.00 0.00 ENZA ATOM 785 O LEU 56 -8.403 6.512 -6.172 0.00 0.00 ENZA ATOM 786 N GLY 57 -10.595 6.487 -5.809 0.00 0.00 ENZA ATOM 787 HN GLY 57 -11.345 6.927 -5.316 0.00 0.00 ENZA ATOM 788 CA GLY 57 -10.961 5.297 -6.568 0.00 0.00 ENZA ATOM 789 HA1 GLY 57 -12.030 5.155 -6.494 0.00 0.00 ENZA ATOM 790 HA2 GLY 57 -10.295 4.515 -6.224 0.00 0.00 ENZA ATOM 791 C GLY 57 -10.816 5.470 -8.087 0.00 0.00 ENZA ATOM 792 O GLY 57 -10.160 4.619 -8.711 0.00 0.00 ENZA ATOM 793 N ARG 58 -11.338 6.611 -8.686 0.00 0.00 ENZA ATOM 794 HN ARG 58 -11.867 7.226 -8.104 0.00 0.00 ENZA ATOM 795 CA ARG 58 -11.255 6.877 -10.075 0.00 0.00 ENZA ATOM 796 HA ARG 58 -11.351 5.966 -10.655 0.00 0.00 ENZA ATOM 797 CB ARG 58 -12.264 7.979 -10.512 0.00 0.00 ENZA ATOM 798 HB1 ARG 58 -12.219 8.834 -9.794 0.00 0.00 ENZA ATOM 799 HB2 ARG 58 -12.034 8.391 -11.518 0.00 0.00 ENZA ATOM 800 CG ARG 58 -13.736 7.571 -10.424 0.00 0.00 ENZA ATOM 801 HG1 ARG 58 -13.942 6.758 -11.154 0.00 0.00 ENZA ATOM 802 HG2 ARG 58 -13.882 7.061 -9.443 0.00 0.00 ENZA ATOM 803 CD ARG 58 -14.799 8.610 -10.299 0.00 0.00 ENZA ATOM 804 HD1 ARG 58 -15.813 8.149 -10.271 0.00 0.00 ENZA ATOM 805 HD2 ARG 58 -14.625 9.267 -9.416 0.00 0.00 ENZA ATOM 806 NE ARG 58 -14.772 9.459 -11.587 0.00 0.00 ENZA ATOM 807 HE ARG 58 -14.327 9.174 -12.442 0.00 0.00 ENZA ATOM 808 CZ ARG 58 -15.104 10.761 -11.655 0.00 0.00 ENZA ATOM 809 NH1 ARG 58 -15.096 11.350 -12.846 0.00 0.00 ENZA ATOM 810 HH11 ARG 58 -15.596 12.203 -12.899 0.00 0.00 ENZA ATOM 811 HH12 ARG 58 -14.640 10.988 -13.660 0.00 0.00 ENZA ATOM 812 NH2 ARG 58 -15.463 11.467 -10.577 0.00 0.00 ENZA ATOM 813 HH21 ARG 58 -15.812 12.391 -10.646 0.00 0.00 ENZA ATOM 814 HH22 ARG 58 -15.612 10.959 -9.739 0.00 0.00 ENZA ATOM 815 C ARG 58 -9.836 7.355 -10.492 0.00 0.00 ENZA ATOM 816 O ARG 58 -9.338 6.962 -11.559 0.00 0.00 ENZA ATOM 817 N ILE 59 -9.141 8.200 -9.670 0.00 0.00 ENZA ATOM 818 HN ILE 59 -9.536 8.574 -8.832 0.00 0.00 ENZA ATOM 819 CA ILE 59 -7.759 8.525 -9.974 0.00 0.00 ENZA ATOM 820 HA ILE 59 -7.647 8.891 -10.986 0.00 0.00 ENZA ATOM 821 CB ILE 59 -7.203 9.663 -9.042 0.00 0.00 ENZA ATOM 822 HB ILE 59 -7.240 9.169 -8.037 0.00 0.00 ENZA ATOM 823 CG2 ILE 59 -5.794 10.030 -9.486 0.00 0.00 ENZA ATOM 824 HG21 ILE 59 -5.879 10.480 -10.497 0.00 0.00 ENZA ATOM 825 HG22 ILE 59 -5.464 10.837 -8.798 0.00 0.00 ENZA ATOM 826 HG23 ILE 59 -5.094 9.172 -9.400 0.00 0.00 ENZA ATOM 827 CG1 ILE 59 -8.118 10.907 -8.931 0.00 0.00 ENZA ATOM 828 HG11 ILE 59 -7.917 11.506 -9.847 0.00 0.00 ENZA ATOM 829 HG12 ILE 59 -9.205 10.666 -8.894 0.00 0.00 ENZA ATOM 830 CD ILE 59 -7.903 11.765 -7.643 0.00 0.00 ENZA ATOM 831 HD1 ILE 59 -6.800 11.789 -7.522 0.00 0.00 ENZA ATOM 832 HD2 ILE 59 -8.290 12.788 -7.833 0.00 0.00 ENZA ATOM 833 HD3 ILE 59 -8.342 11.173 -6.811 0.00 0.00 ENZA ATOM 834 C ILE 59 -6.957 7.192 -9.935 0.00 0.00 ENZA ATOM 835 O ILE 59 -6.241 6.892 -10.863 0.00 0.00 ENZA ATOM 836 N ALA 60 -7.131 6.222 -9.003 0.00 0.00 ENZA ATOM 837 HN ALA 60 -7.836 6.289 -8.297 0.00 0.00 ENZA ATOM 838 CA ALA 60 -6.388 4.925 -9.026 0.00 0.00 ENZA ATOM 839 HA ALA 60 -5.324 5.000 -9.216 0.00 0.00 ENZA ATOM 840 CB ALA 60 -6.697 4.147 -7.778 0.00 0.00 ENZA ATOM 841 HB1 ALA 60 -7.793 4.038 -7.641 0.00 0.00 ENZA ATOM 842 HB2 ALA 60 -6.290 3.113 -7.743 0.00 0.00 ENZA ATOM 843 HB3 ALA 60 -6.157 4.595 -6.914 0.00 0.00 ENZA ATOM 844 C ALA 60 -6.777 4.143 -10.301 0.00 0.00 ENZA ATOM 845 O ALA 60 -5.941 3.480 -10.848 0.00 0.00 ENZA ATOM 846 N HSE 61 -8.037 4.089 -10.786 0.00 0.00 ENZA ATOM 847 HN HSE 61 -8.804 4.358 -10.206 0.00 0.00 ENZA ATOM 848 CA HSE 61 -8.431 3.217 -11.872 0.00 0.00 ENZA ATOM 849 HA HSE 61 -8.158 2.186 -11.687 0.00 0.00 ENZA ATOM 850 CB HSE 61 -9.979 3.274 -12.133 0.00 0.00 ENZA ATOM 851 HB1 HSE 61 -10.478 2.848 -11.235 0.00 0.00 ENZA ATOM 852 HB2 HSE 61 -10.238 4.351 -12.082 0.00 0.00 ENZA ATOM 853 ND1 HSE 61 -10.156 1.299 -13.639 0.00 0.00 ENZA ATOM 854 CG HSE 61 -10.462 2.626 -13.355 0.00 0.00 ENZA ATOM 855 CE1 HSE 61 -10.659 1.099 -14.871 0.00 0.00 ENZA ATOM 856 HE1 HSE 61 -10.613 0.158 -15.425 0.00 0.00 ENZA ATOM 857 NE2 HSE 61 -11.308 2.169 -15.321 0.00 0.00 ENZA ATOM 858 HE2 HSE 61 -11.869 2.212 -16.149 0.00 0.00 ENZA ATOM 859 CD2 HSE 61 -11.190 3.172 -14.374 0.00 0.00 ENZA ATOM 860 HD2 HSE 61 -11.623 4.164 -14.382 0.00 0.00 ENZA ATOM 861 C HSE 61 -7.741 3.634 -13.116 0.00 0.00 ENZA ATOM 862 O HSE 61 -7.145 2.840 -13.868 0.00 0.00 ENZA ATOM 863 N VAL 62 -7.916 4.960 -13.378 0.00 0.00 ENZA ATOM 864 HN VAL 62 -8.401 5.494 -12.692 0.00 0.00 ENZA ATOM 865 CA VAL 62 -7.400 5.636 -14.604 0.00 0.00 ENZA ATOM 866 HA VAL 62 -7.746 5.100 -15.480 0.00 0.00 ENZA ATOM 867 CB VAL 62 -7.959 7.108 -14.663 0.00 0.00 ENZA ATOM 868 HB VAL 62 -7.762 7.603 -13.680 0.00 0.00 ENZA ATOM 869 CG1 VAL 62 -7.276 7.948 -15.739 0.00 0.00 ENZA ATOM 870 HG11 VAL 62 -7.679 8.983 -15.737 0.00 0.00 ENZA ATOM 871 HG12 VAL 62 -6.193 8.004 -15.501 0.00 0.00 ENZA ATOM 872 HG13 VAL 62 -7.404 7.477 -16.736 0.00 0.00 ENZA ATOM 873 CG2 VAL 62 -9.496 7.070 -14.869 0.00 0.00 ENZA ATOM 874 HG21 VAL 62 -10.045 6.338 -14.239 0.00 0.00 ENZA ATOM 875 HG22 VAL 62 -9.853 8.116 -14.744 0.00 0.00 ENZA ATOM 876 HG23 VAL 62 -9.688 6.914 -15.951 0.00 0.00 ENZA ATOM 877 C VAL 62 -5.842 5.684 -14.751 0.00 0.00 ENZA ATOM 878 O VAL 62 -5.320 5.448 -15.782 0.00 0.00 ENZA ATOM 879 N LEU 63 -5.118 5.833 -13.650 0.00 0.00 ENZA ATOM 880 HN LEU 63 -5.611 6.094 -12.822 0.00 0.00 ENZA ATOM 881 CA LEU 63 -3.685 5.688 -13.636 0.00 0.00 ENZA ATOM 882 HA LEU 63 -3.352 5.878 -14.648 0.00 0.00 ENZA ATOM 883 CB LEU 63 -3.044 6.767 -12.743 0.00 0.00 ENZA ATOM 884 HB1 LEU 63 -3.183 6.586 -11.652 0.00 0.00 ENZA ATOM 885 HB2 LEU 63 -1.949 6.621 -12.870 0.00 0.00 ENZA ATOM 886 CG LEU 63 -3.290 8.215 -13.025 0.00 0.00 ENZA ATOM 887 HG LEU 63 -4.333 8.523 -12.772 0.00 0.00 ENZA ATOM 888 CD1 LEU 63 -2.439 9.203 -12.229 0.00 0.00 ENZA ATOM 889 HD11 LEU 63 -2.637 9.181 -11.136 0.00 0.00 ENZA ATOM 890 HD12 LEU 63 -1.360 8.994 -12.385 0.00 0.00 ENZA ATOM 891 HD13 LEU 63 -2.711 10.243 -12.505 0.00 0.00 ENZA ATOM 892 CD2 LEU 63 -3.084 8.506 -14.473 0.00 0.00 ENZA ATOM 893 HD21 LEU 63 -3.228 9.587 -14.685 0.00 0.00 ENZA ATOM 894 HD22 LEU 63 -2.078 8.165 -14.790 0.00 0.00 ENZA ATOM 895 HD23 LEU 63 -3.799 8.031 -15.179 0.00 0.00 ENZA ATOM 896 C LEU 63 -3.198 4.283 -13.392 0.00 0.00 ENZA ATOM 897 O LEU 63 -1.988 4.022 -13.402 0.00 0.00 ENZA ATOM 898 N GLY 64 -4.210 3.412 -13.196 0.00 0.00 ENZA ATOM 899 HN GLY 64 -5.142 3.753 -13.088 0.00 0.00 ENZA ATOM 900 CA GLY 64 -4.011 1.964 -13.417 0.00 0.00 ENZA ATOM 901 HA1 GLY 64 -3.326 1.854 -14.247 0.00 0.00 ENZA ATOM 902 HA2 GLY 64 -4.995 1.588 -13.669 0.00 0.00 ENZA ATOM 903 C GLY 64 -3.394 1.279 -12.226 0.00 0.00 ENZA ATOM 904 O GLY 64 -2.361 0.634 -12.318 0.00 0.00 ENZA ATOM 905 N THR 65 -4.015 1.396 -11.025 0.00 0.00 ENZA ATOM 906 HN THR 65 -4.852 1.941 -10.996 0.00 0.00 ENZA ATOM 907 CA THR 65 -3.305 1.136 -9.759 0.00 0.00 ENZA ATOM 908 HA THR 65 -3.014 0.109 -9.933 0.00 0.00 ENZA ATOM 909 CB THR 65 -2.022 2.010 -9.487 0.00 0.00 ENZA ATOM 910 HB THR 65 -1.372 1.877 -10.386 0.00 0.00 ENZA ATOM 911 OG1 THR 65 -1.146 1.602 -8.402 0.00 0.00 ENZA ATOM 912 HG1 THR 65 -0.263 1.986 -8.448 0.00 0.00 ENZA ATOM 913 CG2 THR 65 -2.318 3.503 -9.475 0.00 0.00 ENZA ATOM 914 HG21 THR 65 -2.748 3.865 -8.519 0.00 0.00 ENZA ATOM 915 HG22 THR 65 -1.505 4.163 -9.849 0.00 0.00 ENZA ATOM 916 HG23 THR 65 -3.182 3.642 -10.160 0.00 0.00 ENZA ATOM 917 C THR 65 -4.250 1.110 -8.625 0.00 0.00 ENZA ATOM 918 O THR 65 -5.462 1.044 -8.834 0.00 0.00 ENZA ATOM 919 N SER 66 -3.778 1.143 -7.376 0.00 0.00 ENZA ATOM 920 HN SER 66 -2.790 1.254 -7.266 0.00 0.00 ENZA ATOM 921 CA SER 66 -4.601 1.145 -6.189 0.00 0.00 ENZA ATOM 922 HA SER 66 -5.605 0.844 -6.462 0.00 0.00 ENZA ATOM 923 CB SER 66 -4.207 0.023 -5.226 0.00 0.00 ENZA ATOM 924 HB1 SER 66 -4.905 -0.019 -4.358 0.00 0.00 ENZA ATOM 925 HB2 SER 66 -4.239 -0.892 -5.860 0.00 0.00 ENZA ATOM 926 OG SER 66 -2.878 0.287 -4.691 0.00 0.00 ENZA ATOM 927 HG1 SER 66 -2.670 -0.288 -3.944 0.00 0.00 ENZA ATOM 928 C SER 66 -4.747 2.425 -5.451 0.00 0.00 ENZA ATOM 929 O SER 66 -4.077 3.401 -5.713 0.00 0.00 ENZA ATOM 930 N ILE 67 -5.489 2.486 -4.367 0.00 0.00 ENZA ATOM 931 HN ILE 67 -6.245 1.914 -4.054 0.00 0.00 ENZA ATOM 932 CA ILE 67 -5.453 3.646 -3.493 0.00 0.00 ENZA ATOM 933 HA ILE 67 -5.451 4.501 -4.157 0.00 0.00 ENZA ATOM 934 CB ILE 67 -6.595 3.739 -2.441 0.00 0.00 ENZA ATOM 935 HB ILE 67 -6.588 2.758 -1.901 0.00 0.00 ENZA ATOM 936 CG2 ILE 67 -6.448 4.893 -1.439 0.00 0.00 ENZA ATOM 937 HG21 ILE 67 -6.614 5.909 -1.852 0.00 0.00 ENZA ATOM 938 HG22 ILE 67 -7.111 4.646 -0.584 0.00 0.00 ENZA ATOM 939 HG23 ILE 67 -5.448 4.906 -0.955 0.00 0.00 ENZA ATOM 940 CG1 ILE 67 -7.959 3.821 -3.163 0.00 0.00 ENZA ATOM 941 HG11 ILE 67 -8.040 4.852 -3.573 0.00 0.00 ENZA ATOM 942 HG12 ILE 67 -7.953 3.040 -3.960 0.00 0.00 ENZA ATOM 943 CD ILE 67 -9.163 3.629 -2.182 0.00 0.00 ENZA ATOM 944 HD1 ILE 67 -10.133 3.717 -2.718 0.00 0.00 ENZA ATOM 945 HD2 ILE 67 -9.092 2.660 -1.641 0.00 0.00 ENZA ATOM 946 HD3 ILE 67 -9.157 4.405 -1.387 0.00 0.00 ENZA ATOM 947 C ILE 67 -4.128 3.688 -2.780 0.00 0.00 ENZA ATOM 948 O ILE 67 -3.545 4.707 -2.521 0.00 0.00 ENZA ATOM 949 N GLY 68 -3.593 2.534 -2.352 0.00 0.00 ENZA ATOM 950 HN GLY 68 -4.148 1.708 -2.451 0.00 0.00 ENZA ATOM 951 CA GLY 68 -2.387 2.465 -1.495 0.00 0.00 ENZA ATOM 952 HA1 GLY 68 -2.416 1.429 -1.185 0.00 0.00 ENZA ATOM 953 HA2 GLY 68 -2.467 3.208 -0.713 0.00 0.00 ENZA ATOM 954 C GLY 68 -1.109 2.922 -2.196 0.00 0.00 ENZA ATOM 955 O GLY 68 -0.255 3.545 -1.593 0.00 0.00 ENZA ATOM 956 N ALA 69 -1.071 2.582 -3.518 0.00 0.00 ENZA ATOM 957 HN ALA 69 -1.677 1.868 -3.865 0.00 0.00 ENZA ATOM 958 CA ALA 69 0.048 2.978 -4.323 0.00 0.00 ENZA ATOM 959 HA ALA 69 0.970 2.766 -3.795 0.00 0.00 ENZA ATOM 960 CB ALA 69 0.113 2.099 -5.609 0.00 0.00 ENZA ATOM 961 HB1 ALA 69 0.256 1.027 -5.355 0.00 0.00 ENZA ATOM 962 HB2 ALA 69 -0.872 2.098 -6.126 0.00 0.00 ENZA ATOM 963 HB3 ALA 69 0.890 2.542 -6.269 0.00 0.00 ENZA ATOM 964 C ALA 69 0.056 4.482 -4.664 0.00 0.00 ENZA ATOM 965 O ALA 69 1.108 5.178 -4.752 0.00 0.00 ENZA ATOM 966 N LEU 70 -1.181 5.057 -4.655 0.00 0.00 ENZA ATOM 967 HN LEU 70 -1.983 4.477 -4.535 0.00 0.00 ENZA ATOM 968 CA LEU 70 -1.365 6.426 -5.031 0.00 0.00 ENZA ATOM 969 HA LEU 70 -0.592 6.580 -5.772 0.00 0.00 ENZA ATOM 970 CB LEU 70 -2.833 6.556 -5.654 0.00 0.00 ENZA ATOM 971 HB1 LEU 70 -3.015 5.643 -6.265 0.00 0.00 ENZA ATOM 972 HB2 LEU 70 -3.546 6.603 -4.802 0.00 0.00 ENZA ATOM 973 CG LEU 70 -3.051 7.771 -6.587 0.00 0.00 ENZA ATOM 974 HG LEU 70 -2.862 8.647 -5.917 0.00 0.00 ENZA ATOM 975 CD1 LEU 70 -2.063 7.709 -7.788 0.00 0.00 ENZA ATOM 976 HD11 LEU 70 -2.368 8.485 -8.523 0.00 0.00 ENZA ATOM 977 HD12 LEU 70 -1.051 7.979 -7.419 0.00 0.00 ENZA ATOM 978 HD13 LEU 70 -2.115 6.690 -8.226 0.00 0.00 ENZA ATOM 979 CD2 LEU 70 -4.484 7.778 -7.110 0.00 0.00 ENZA ATOM 980 HD21 LEU 70 -5.142 7.262 -6.379 0.00 0.00 ENZA ATOM 981 HD22 LEU 70 -4.892 8.808 -7.149 0.00 0.00 ENZA ATOM 982 HD23 LEU 70 -4.733 7.225 -8.043 0.00 0.00 ENZA ATOM 983 C LEU 70 -1.228 7.398 -3.841 0.00 0.00 ENZA ATOM 984 O LEU 70 -0.981 8.573 -3.938 0.00 0.00 ENZA ATOM 985 N THR 71 -1.725 6.882 -2.648 0.00 0.00 ENZA ATOM 986 HN THR 71 -1.984 5.918 -2.594 0.00 0.00 ENZA ATOM 987 CA THR 71 -1.772 7.703 -1.470 0.00 0.00 ENZA ATOM 988 HA THR 71 -2.016 8.688 -1.846 0.00 0.00 ENZA ATOM 989 CB THR 71 -3.019 7.547 -0.543 0.00 0.00 ENZA ATOM 990 HB THR 71 -2.916 8.148 0.393 0.00 0.00 ENZA ATOM 991 OG1 THR 71 -3.033 6.211 -0.187 0.00 0.00 ENZA ATOM 992 HG1 THR 71 -3.175 5.755 -1.023 0.00 0.00 ENZA ATOM 993 CG2 THR 71 -4.301 7.929 -1.365 0.00 0.00 ENZA ATOM 994 HG21 THR 71 -4.390 9.036 -1.321 0.00 0.00 ENZA ATOM 995 HG22 THR 71 -4.246 7.564 -2.412 0.00 0.00 ENZA ATOM 996 HG23 THR 71 -5.127 7.356 -0.888 0.00 0.00 ENZA ATOM 997 C THR 71 -0.443 7.787 -0.732 0.00 0.00 ENZA ATOM 998 O THR 71 -0.018 6.678 -0.387 0.00 0.00 ENZA ATOM 999 N PRO 72 0.235 8.795 -0.527 0.00 0.00 ENZA ATOM 1000 CD PRO 72 -0.203 10.158 -0.887 0.00 0.00 ENZA ATOM 1001 HD1 PRO 72 -0.259 10.296 -1.990 0.00 0.00 ENZA ATOM 1002 HD2 PRO 72 -1.205 10.389 -0.456 0.00 0.00 ENZA ATOM 1003 CA PRO 72 1.507 8.811 0.221 0.00 0.00 ENZA ATOM 1004 HA PRO 72 2.099 7.946 -0.054 0.00 0.00 ENZA ATOM 1005 CB PRO 72 2.031 10.150 -0.242 0.00 0.00 ENZA ATOM 1006 HB1 PRO 72 2.552 10.122 -1.224 0.00 0.00 ENZA ATOM 1007 HB2 PRO 72 2.758 10.390 0.561 0.00 0.00 ENZA ATOM 1008 CG PRO 72 0.862 11.100 -0.357 0.00 0.00 ENZA ATOM 1009 HG1 PRO 72 1.071 11.840 -1.153 0.00 0.00 ENZA ATOM 1010 HG2 PRO 72 0.580 11.593 0.602 0.00 0.00 ENZA ATOM 1011 C PRO 72 1.279 8.875 1.708 0.00 0.00 ENZA ATOM 1012 O PRO 72 0.219 9.354 2.180 0.00 0.00 ENZA ATOM 1013 N PRO 73 2.304 8.491 2.497 0.00 0.00 ENZA ATOM 1014 CD PRO 73 3.686 8.055 2.201 0.00 0.00 ENZA ATOM 1015 HD1 PRO 73 3.647 6.966 1.971 0.00 0.00 ENZA ATOM 1016 HD2 PRO 73 4.181 8.592 1.359 0.00 0.00 ENZA ATOM 1017 CA PRO 73 2.263 9.018 3.870 0.00 0.00 ENZA ATOM 1018 HA PRO 73 1.292 8.773 4.287 0.00 0.00 ENZA ATOM 1019 CB PRO 73 3.423 8.344 4.539 0.00 0.00 ENZA ATOM 1020 HB1 PRO 73 3.119 7.300 4.780 0.00 0.00 ENZA ATOM 1021 HB2 PRO 73 3.801 8.804 5.474 0.00 0.00 ENZA ATOM 1022 CG PRO 73 4.467 8.329 3.444 0.00 0.00 ENZA ATOM 1023 HG1 PRO 73 5.146 7.494 3.705 0.00 0.00 ENZA ATOM 1024 HG2 PRO 73 4.945 9.323 3.282 0.00 0.00 ENZA ATOM 1025 C PRO 73 2.540 10.556 4.005 0.00 0.00 ENZA ATOM 1026 O PRO 73 2.974 11.180 3.045 0.00 0.00 ENZA ATOM 1027 N ALA 74 2.191 11.200 5.097 0.00 0.00 ENZA ATOM 1028 HN ALA 74 1.623 10.719 5.765 0.00 0.00 ENZA ATOM 1029 CA ALA 74 2.362 12.678 5.307 0.00 0.00 ENZA ATOM 1030 HA ALA 74 1.990 13.213 4.439 0.00 0.00 ENZA ATOM 1031 CB ALA 74 1.377 13.076 6.405 0.00 0.00 ENZA ATOM 1032 HB1 ALA 74 0.308 12.874 6.178 0.00 0.00 ENZA ATOM 1033 HB2 ALA 74 1.700 12.590 7.352 0.00 0.00 ENZA ATOM 1034 HB3 ALA 74 1.448 14.165 6.607 0.00 0.00 ENZA ATOM 1035 C ALA 74 3.776 13.092 5.677 0.00 0.00 ENZA ATOM 1036 O ALA 74 4.332 14.079 5.173 0.00 0.00 ENZA ATOM 1037 N GLY 75 4.448 12.289 6.504 0.00 0.00 ENZA ATOM 1038 HN GLY 75 4.126 11.490 7.012 0.00 0.00 ENZA ATOM 1039 CA GLY 75 5.747 12.691 7.014 0.00 0.00 ENZA ATOM 1040 HA1 GLY 75 5.736 13.763 7.157 0.00 0.00 ENZA ATOM 1041 HA2 GLY 75 6.491 12.355 6.306 0.00 0.00 ENZA ATOM 1042 C GLY 75 6.027 11.948 8.321 0.00 0.00 ENZA ATOM 1043 O GLY 75 5.152 11.195 8.837 0.00 0.00 ENZA ATOM 1044 N ASN 76 7.200 12.156 8.953 0.00 0.00 ENZA ATOM 1045 HN ASN 76 7.867 12.702 8.448 0.00 0.00 ENZA ATOM 1046 CA ASN 76 7.550 11.439 10.188 0.00 0.00 ENZA ATOM 1047 HA ASN 76 7.580 10.421 9.815 0.00 0.00 ENZA ATOM 1048 CB ASN 76 9.042 11.779 10.536 0.00 0.00 ENZA ATOM 1049 HB1 ASN 76 9.663 11.805 9.614 0.00 0.00 ENZA ATOM 1050 HB2 ASN 76 9.016 12.788 10.993 0.00 0.00 ENZA ATOM 1051 CG ASN 76 9.713 10.780 11.473 0.00 0.00 ENZA ATOM 1052 OD1 ASN 76 9.706 9.548 11.337 0.00 0.00 ENZA ATOM 1053 ND2 ASN 76 10.395 11.294 12.484 0.00 0.00 ENZA ATOM 1054 HD21 ASN 76 10.752 10.681 13.183 0.00 0.00 ENZA ATOM 1055 HD22 ASN 76 10.809 12.182 12.317 0.00 0.00 ENZA ATOM 1056 C ASN 76 6.596 11.615 11.462 0.00 0.00 ENZA ATOM 1057 O ASN 76 6.046 12.703 11.692 0.00 0.00 ENZA ATOM 1058 N ASP 77 6.419 10.484 12.296 0.00 0.00 ENZA ATOM 1059 HN ASP 77 6.830 9.612 12.046 0.00 0.00 ENZA ATOM 1060 CA ASP 77 5.518 10.468 13.418 0.00 0.00 ENZA ATOM 1061 HA ASP 77 4.659 11.018 13.052 0.00 0.00 ENZA ATOM 1062 CB ASP 77 5.021 9.019 13.747 0.00 0.00 ENZA ATOM 1063 HB1 ASP 77 4.549 8.999 14.749 0.00 0.00 ENZA ATOM 1064 HB2 ASP 77 4.347 8.673 12.939 0.00 0.00 ENZA ATOM 1065 CG ASP 77 6.132 7.956 13.652 0.00 0.00 ENZA ATOM 1066 OD1 ASP 77 6.809 7.768 12.608 0.00 0.00 ENZA ATOM 1067 OD2 ASP 77 6.302 7.180 14.613 0.00 0.00 ENZA ATOM 1068 C ASP 77 6.151 11.202 14.580 0.00 0.00 ENZA ATOM 1069 O ASP 77 6.255 12.449 14.552 0.00 0.00 ENZA ATOM 1070 N LEU 78 6.477 10.449 15.552 0.00 0.00 ENZA ATOM 1071 HN LEU 78 6.575 9.460 15.468 0.00 0.00 ENZA ATOM 1072 CA LEU 78 6.892 11.093 16.749 0.00 0.00 ENZA ATOM 1073 HA LEU 78 6.425 12.056 16.919 0.00 0.00 ENZA ATOM 1074 CB LEU 78 6.492 10.217 17.951 0.00 0.00 ENZA ATOM 1075 HB1 LEU 78 7.036 9.259 17.780 0.00 0.00 ENZA ATOM 1076 HB2 LEU 78 6.708 10.649 18.954 0.00 0.00 ENZA ATOM 1077 CG LEU 78 5.023 9.976 18.161 0.00 0.00 ENZA ATOM 1078 HG LEU 78 4.656 9.338 17.321 0.00 0.00 ENZA ATOM 1079 CD1 LEU 78 4.573 9.248 19.469 0.00 0.00 ENZA ATOM 1080 HD11 LEU 78 3.521 8.968 19.248 0.00 0.00 ENZA ATOM 1081 HD12 LEU 78 5.101 8.298 19.694 0.00 0.00 ENZA ATOM 1082 HD13 LEU 78 4.615 9.947 20.332 0.00 0.00 ENZA ATOM 1083 CD2 LEU 78 4.312 11.321 18.236 0.00 0.00 ENZA ATOM 1084 HD21 LEU 78 4.021 11.701 17.232 0.00 0.00 ENZA ATOM 1085 HD22 LEU 78 3.295 11.183 18.657 0.00 0.00 ENZA ATOM 1086 HD23 LEU 78 4.798 12.067 18.900 0.00 0.00 ENZA ATOM 1087 C LEU 78 8.389 11.474 16.786 0.00 0.00 ENZA ATOM 1088 O LEU 78 8.756 12.661 16.850 0.00 0.00 ENZA ATOM 1089 N ASP 79 9.260 10.452 16.851 0.00 0.00 ENZA ATOM 1090 HN ASP 79 8.996 9.507 16.680 0.00 0.00 ENZA ATOM 1091 CA ASP 79 10.611 10.772 17.152 0.00 0.00 ENZA ATOM 1092 HA ASP 79 10.790 11.838 17.245 0.00 0.00 ENZA ATOM 1093 CB ASP 79 10.921 9.996 18.496 0.00 0.00 ENZA ATOM 1094 HB1 ASP 79 9.940 9.925 19.009 0.00 0.00 ENZA ATOM 1095 HB2 ASP 79 11.344 8.983 18.350 0.00 0.00 ENZA ATOM 1096 CG ASP 79 11.899 10.844 19.356 0.00 0.00 ENZA ATOM 1097 OD1 ASP 79 11.466 11.472 20.308 0.00 0.00 ENZA ATOM 1098 OD2 ASP 79 13.020 10.991 18.831 0.00 0.00 ENZA ATOM 1099 C ASP 79 11.451 10.297 16.014 0.00 0.00 ENZA ATOM 1100 O ASP 79 10.916 9.974 14.932 0.00 0.00 ENZA ATOM 1101 N ASP 80 12.840 10.304 16.182 0.00 0.00 ENZA ATOM 1102 HN ASP 80 13.196 10.573 17.073 0.00 0.00 ENZA ATOM 1103 CA ASP 80 13.801 10.030 15.083 0.00 0.00 ENZA ATOM 1104 HA ASP 80 13.353 10.165 14.105 0.00 0.00 ENZA ATOM 1105 CB ASP 80 15.055 10.871 15.230 0.00 0.00 ENZA ATOM 1106 HB1 ASP 80 15.370 11.029 16.281 0.00 0.00 ENZA ATOM 1107 HB2 ASP 80 15.872 10.403 14.646 0.00 0.00 ENZA ATOM 1108 CG ASP 80 14.833 12.314 14.724 0.00 0.00 ENZA ATOM 1109 OD1 ASP 80 14.135 13.130 15.329 0.00 0.00 ENZA ATOM 1110 OD2 ASP 80 15.478 12.519 13.695 0.00 0.00 ENZA ATOM 1111 C ASP 80 14.138 8.572 15.128 0.00 0.00 ENZA ATOM 1112 O ASP 80 13.961 7.833 14.167 0.00 0.00 ENZA ATOM 1113 N GLY 81 14.555 8.026 16.327 0.00 0.00 ENZA ATOM 1114 HN GLY 81 14.824 8.591 17.105 0.00 0.00 ENZA ATOM 1115 CA GLY 81 14.726 6.643 16.330 0.00 0.00 ENZA ATOM 1116 HA1 GLY 81 15.735 6.446 15.993 0.00 0.00 ENZA ATOM 1117 HA2 GLY 81 13.976 6.134 15.738 0.00 0.00 ENZA ATOM 1118 C GLY 81 14.717 6.059 17.700 0.00 0.00 ENZA ATOM 1119 O GLY 81 14.351 4.908 17.845 0.00 0.00 ENZA ATOM 1120 N VAL 82 15.159 6.749 18.748 0.00 0.00 ENZA ATOM 1121 HN VAL 82 15.481 7.658 18.498 0.00 0.00 ENZA ATOM 1122 CA VAL 82 15.237 6.282 20.094 0.00 0.00 ENZA ATOM 1123 HA VAL 82 15.131 5.207 20.178 0.00 0.00 ENZA ATOM 1124 CB VAL 82 16.569 6.706 20.735 0.00 0.00 ENZA ATOM 1125 HB VAL 82 16.630 7.802 20.938 0.00 0.00 ENZA ATOM 1126 CG1 VAL 82 16.696 5.943 22.082 0.00 0.00 ENZA ATOM 1127 HG11 VAL 82 16.875 4.857 21.931 0.00 0.00 ENZA ATOM 1128 HG12 VAL 82 17.637 6.282 22.562 0.00 0.00 ENZA ATOM 1129 HG13 VAL 82 15.851 6.118 22.783 0.00 0.00 ENZA ATOM 1130 CG2 VAL 82 17.928 6.411 19.969 0.00 0.00 ENZA ATOM 1131 HG21 VAL 82 18.787 6.599 20.646 0.00 0.00 ENZA ATOM 1132 HG22 VAL 82 17.936 5.337 19.677 0.00 0.00 ENZA ATOM 1133 HG23 VAL 82 18.029 6.924 18.990 0.00 0.00 ENZA ATOM 1134 C VAL 82 14.096 6.977 20.848 0.00 0.00 ENZA ATOM 1135 O VAL 82 14.199 8.159 21.180 0.00 0.00 ENZA ATOM 1136 N ILE 83 12.903 6.308 21.084 0.00 0.00 ENZA ATOM 1137 HN ILE 83 12.834 5.340 20.848 0.00 0.00 ENZA ATOM 1138 CA ILE 83 11.720 6.890 21.583 0.00 0.00 ENZA ATOM 1139 HA ILE 83 11.816 7.968 21.614 0.00 0.00 ENZA ATOM 1140 CB ILE 83 10.491 6.486 20.740 0.00 0.00 ENZA ATOM 1141 HB ILE 83 10.721 6.736 19.673 0.00 0.00 ENZA ATOM 1142 CG2 ILE 83 10.352 4.968 20.668 0.00 0.00 ENZA ATOM 1143 HG21 ILE 83 9.345 4.804 20.228 0.00 0.00 ENZA ATOM 1144 HG22 ILE 83 11.094 4.568 19.946 0.00 0.00 ENZA ATOM 1145 HG23 ILE 83 10.317 4.472 21.662 0.00 0.00 ENZA ATOM 1146 CG1 ILE 83 9.177 7.225 21.169 0.00 0.00 ENZA ATOM 1147 HG11 ILE 83 8.688 6.845 22.093 0.00 0.00 ENZA ATOM 1148 HG12 ILE 83 9.565 8.262 21.280 0.00 0.00 ENZA ATOM 1149 CD ILE 83 8.159 7.219 19.932 0.00 0.00 ENZA ATOM 1150 HD1 ILE 83 8.690 7.512 19.002 0.00 0.00 ENZA ATOM 1151 HD2 ILE 83 7.535 6.299 19.969 0.00 0.00 ENZA ATOM 1152 HD3 ILE 83 7.419 8.026 20.118 0.00 0.00 ENZA ATOM 1153 C ILE 83 11.633 6.612 23.053 0.00 0.00 ENZA ATOM 1154 O ILE 83 11.537 5.434 23.400 0.00 0.00 ENZA ATOM 1155 N ILE 84 11.755 7.610 23.941 0.00 0.00 ENZA ATOM 1156 HN ILE 84 11.931 8.540 23.627 0.00 0.00 ENZA ATOM 1157 CA ILE 84 11.644 7.326 25.364 0.00 0.00 ENZA ATOM 1158 HA ILE 84 11.858 6.290 25.594 0.00 0.00 ENZA ATOM 1159 CB ILE 84 12.593 8.185 26.114 0.00 0.00 ENZA ATOM 1160 HB ILE 84 12.465 9.287 25.978 0.00 0.00 ENZA ATOM 1161 CG2 ILE 84 12.314 7.855 27.636 0.00 0.00 ENZA ATOM 1162 HG21 ILE 84 13.096 8.338 28.259 0.00 0.00 ENZA ATOM 1163 HG22 ILE 84 11.333 8.211 28.017 0.00 0.00 ENZA ATOM 1164 HG23 ILE 84 12.475 6.758 27.711 0.00 0.00 ENZA ATOM 1165 CG1 ILE 84 14.004 7.830 25.588 0.00 0.00 ENZA ATOM 1166 HG11 ILE 84 14.070 6.719 25.609 0.00 0.00 ENZA ATOM 1167 HG12 ILE 84 14.094 8.210 24.543 0.00 0.00 ENZA ATOM 1168 CD ILE 84 15.016 8.488 26.439 0.00 0.00 ENZA ATOM 1169 HD1 ILE 84 16.012 8.599 25.957 0.00 0.00 ENZA ATOM 1170 HD2 ILE 84 14.756 9.496 26.830 0.00 0.00 ENZA ATOM 1171 HD3 ILE 84 15.231 7.856 27.326 0.00 0.00 ENZA ATOM 1172 C ILE 84 10.195 7.539 25.769 0.00 0.00 ENZA ATOM 1173 O ILE 84 9.685 8.640 25.629 0.00 0.00 ENZA ATOM 1174 N GLN 85 9.491 6.427 26.106 0.00 0.00 ENZA ATOM 1175 HN GLN 85 9.946 5.544 26.017 0.00 0.00 ENZA ATOM 1176 CA GLN 85 8.139 6.406 26.601 0.00 0.00 ENZA ATOM 1177 HA GLN 85 7.600 7.295 26.301 0.00 0.00 ENZA ATOM 1178 CB GLN 85 7.309 5.180 26.192 0.00 0.00 ENZA ATOM 1179 HB1 GLN 85 7.282 5.074 25.083 0.00 0.00 ENZA ATOM 1180 HB2 GLN 85 7.782 4.256 26.598 0.00 0.00 ENZA ATOM 1181 CG GLN 85 5.871 5.387 26.703 0.00 0.00 ENZA ATOM 1182 HG1 GLN 85 5.878 5.441 27.812 0.00 0.00 ENZA ATOM 1183 HG2 GLN 85 5.601 6.335 26.193 0.00 0.00 ENZA ATOM 1184 CD GLN 85 4.864 4.266 26.268 0.00 0.00 ENZA ATOM 1185 OE1 GLN 85 5.049 3.419 25.399 0.00 0.00 ENZA ATOM 1186 NE2 GLN 85 3.660 4.363 26.913 0.00 0.00 ENZA ATOM 1187 HE21 GLN 85 2.887 3.884 26.504 0.00 0.00 ENZA ATOM 1188 HE22 GLN 85 3.347 5.042 27.568 0.00 0.00 ENZA ATOM 1189 C GLN 85 8.172 6.472 28.134 0.00 0.00 ENZA ATOM 1190 O GLN 85 8.841 5.635 28.755 0.00 0.00 ENZA ATOM 1191 N MET 86 7.597 7.424 28.774 0.00 0.00 ENZA ATOM 1192 HN MET 86 7.152 8.124 28.219 0.00 0.00 ENZA ATOM 1193 CA MET 86 7.688 7.759 30.195 0.00 0.00 ENZA ATOM 1194 HA MET 86 8.652 7.369 30.500 0.00 0.00 ENZA ATOM 1195 CB MET 86 7.575 9.209 30.505 0.00 0.00 ENZA ATOM 1196 HB1 MET 86 6.529 9.585 30.418 0.00 0.00 ENZA ATOM 1197 HB2 MET 86 7.927 9.390 31.545 0.00 0.00 ENZA ATOM 1198 CG MET 86 8.395 10.216 29.657 0.00 0.00 ENZA ATOM 1199 HG1 MET 86 8.218 10.038 28.575 0.00 0.00 ENZA ATOM 1200 HG2 MET 86 8.133 11.270 29.890 0.00 0.00 ENZA ATOM 1201 SD MET 86 10.194 9.926 29.709 0.00 0.00 ENZA ATOM 1202 CE MET 86 10.473 11.469 28.791 0.00 0.00 ENZA ATOM 1203 HE1 MET 86 9.842 12.256 29.255 0.00 0.00 ENZA ATOM 1204 HE2 MET 86 11.514 11.858 28.786 0.00 0.00 ENZA ATOM 1205 HE3 MET 86 9.999 11.228 27.816 0.00 0.00 ENZA ATOM 1206 C MET 86 6.559 6.960 30.820 0.00 0.00 ENZA ATOM 1207 O MET 86 5.460 6.851 30.293 0.00 0.00 ENZA ATOM 1208 N PRO 87 6.661 6.445 32.041 0.00 0.00 ENZA ATOM 1209 CD PRO 87 7.925 6.556 32.814 0.00 0.00 ENZA ATOM 1210 HD1 PRO 87 8.832 6.543 32.166 0.00 0.00 ENZA ATOM 1211 HD2 PRO 87 7.903 7.540 33.335 0.00 0.00 ENZA ATOM 1212 CA PRO 87 5.703 5.498 32.691 0.00 0.00 ENZA ATOM 1213 HA PRO 87 5.527 4.703 31.976 0.00 0.00 ENZA ATOM 1214 CB PRO 87 6.368 5.140 34.057 0.00 0.00 ENZA ATOM 1215 HB1 PRO 87 6.241 4.034 34.026 0.00 0.00 ENZA ATOM 1216 HB2 PRO 87 5.972 5.568 34.999 0.00 0.00 ENZA ATOM 1217 CG PRO 87 7.895 5.421 33.856 0.00 0.00 ENZA ATOM 1218 HG1 PRO 87 8.449 4.545 33.466 0.00 0.00 ENZA ATOM 1219 HG2 PRO 87 8.285 5.660 34.872 0.00 0.00 ENZA ATOM 1220 C PRO 87 4.355 6.044 33.006 0.00 0.00 ENZA ATOM 1221 O PRO 87 3.383 5.323 33.145 0.00 0.00 ENZA ATOM 1222 N ASP 88 4.255 7.396 33.197 0.00 0.00 ENZA ATOM 1223 HN ASP 88 5.023 8.031 33.207 0.00 0.00 ENZA ATOM 1224 CA ASP 88 3.053 8.029 33.471 0.00 0.00 ENZA ATOM 1225 HA ASP 88 2.471 7.498 34.216 0.00 0.00 ENZA ATOM 1226 CB ASP 88 3.321 9.509 33.935 0.00 0.00 ENZA ATOM 1227 HB1 ASP 88 2.349 9.968 34.202 0.00 0.00 ENZA ATOM 1228 HB2 ASP 88 3.847 9.532 34.910 0.00 0.00 ENZA ATOM 1229 CG ASP 88 4.076 10.382 33.013 0.00 0.00 ENZA ATOM 1230 OD1 ASP 88 3.641 11.508 32.622 0.00 0.00 ENZA ATOM 1231 OD2 ASP 88 5.203 9.962 32.686 0.00 0.00 ENZA ATOM 1232 C ASP 88 2.073 8.025 32.159 0.00 0.00 ENZA ATOM 1233 O ASP 88 0.830 7.816 32.309 0.00 0.00 ENZA ATOM 1234 N GLU 89 2.637 8.256 30.959 0.00 0.00 ENZA ATOM 1235 HN GLU 89 3.620 8.143 30.833 0.00 0.00 ENZA ATOM 1236 CA GLU 89 1.891 8.420 29.753 0.00 0.00 ENZA ATOM 1237 HA GLU 89 0.977 8.923 30.041 0.00 0.00 ENZA ATOM 1238 CB GLU 89 2.542 9.404 28.793 0.00 0.00 ENZA ATOM 1239 HB1 GLU 89 1.733 9.828 28.155 0.00 0.00 ENZA ATOM 1240 HB2 GLU 89 2.851 10.224 29.480 0.00 0.00 ENZA ATOM 1241 CG GLU 89 3.742 8.797 27.981 0.00 0.00 ENZA ATOM 1242 HG1 GLU 89 4.406 8.041 28.439 0.00 0.00 ENZA ATOM 1243 HG2 GLU 89 3.232 8.183 27.212 0.00 0.00 ENZA ATOM 1244 CD GLU 89 4.616 9.894 27.184 0.00 0.00 ENZA ATOM 1245 OE1 GLU 89 4.065 10.804 26.640 0.00 0.00 ENZA ATOM 1246 OE2 GLU 89 5.962 9.867 27.328 0.00 0.00 ENZA ATOM 1247 HE2 GLU 89 6.252 10.646 26.849 0.00 0.00 ENZA ATOM 1248 C GLU 89 1.359 7.103 29.091 0.00 0.00 ENZA ATOM 1249 O GLU 89 1.461 6.843 27.905 0.00 0.00 ENZA ATOM 1250 N ARG 90 0.692 6.332 29.959 0.00 0.00 ENZA ATOM 1251 HN ARG 90 0.691 6.605 30.917 0.00 0.00 ENZA ATOM 1252 CA ARG 90 0.267 4.991 29.530 0.00 0.00 ENZA ATOM 1253 HA ARG 90 0.594 4.782 28.517 0.00 0.00 ENZA ATOM 1254 CB ARG 90 0.704 3.924 30.513 0.00 0.00 ENZA ATOM 1255 HB1 ARG 90 0.608 4.264 31.573 0.00 0.00 ENZA ATOM 1256 HB2 ARG 90 0.032 3.037 30.530 0.00 0.00 ENZA ATOM 1257 CG ARG 90 2.217 3.491 30.305 0.00 0.00 ENZA ATOM 1258 HG1 ARG 90 2.332 3.134 29.257 0.00 0.00 ENZA ATOM 1259 HG2 ARG 90 2.884 4.373 30.447 0.00 0.00 ENZA ATOM 1260 CD ARG 90 2.771 2.310 31.187 0.00 0.00 ENZA ATOM 1261 HD1 ARG 90 2.287 1.324 31.005 0.00 0.00 ENZA ATOM 1262 HD2 ARG 90 3.828 2.062 30.929 0.00 0.00 ENZA ATOM 1263 NE ARG 90 2.729 2.663 32.587 0.00 0.00 ENZA ATOM 1264 HE ARG 90 2.507 3.616 32.822 0.00 0.00 ENZA ATOM 1265 CZ ARG 90 3.164 1.904 33.577 0.00 0.00 ENZA ATOM 1266 NH1 ARG 90 3.776 0.730 33.381 0.00 0.00 ENZA ATOM 1267 HH11 ARG 90 4.144 0.329 34.208 0.00 0.00 ENZA ATOM 1268 HH12 ARG 90 3.910 0.355 32.462 0.00 0.00 ENZA ATOM 1269 NH2 ARG 90 2.955 2.156 34.859 0.00 0.00 ENZA ATOM 1270 HH21 ARG 90 3.347 1.492 35.480 0.00 0.00 ENZA ATOM 1271 HH22 ARG 90 2.502 3.005 35.098 0.00 0.00 ENZA ATOM 1272 C ARG 90 -1.250 4.994 29.559 0.00 0.00 ENZA ATOM 1273 O ARG 90 -1.817 4.850 30.647 0.00 0.00 ENZA ATOM 1274 N PRO 91 -2.024 5.200 28.558 0.00 0.00 ENZA ATOM 1275 CD PRO 91 -1.622 5.917 27.398 0.00 0.00 ENZA ATOM 1276 HD1 PRO 91 -1.011 6.806 27.673 0.00 0.00 ENZA ATOM 1277 HD2 PRO 91 -1.076 5.306 26.642 0.00 0.00 ENZA ATOM 1278 CA PRO 91 -3.435 4.858 28.445 0.00 0.00 ENZA ATOM 1279 HA PRO 91 -4.039 5.432 29.136 0.00 0.00 ENZA ATOM 1280 CB PRO 91 -3.784 5.307 27.049 0.00 0.00 ENZA ATOM 1281 HB1 PRO 91 -4.870 5.529 26.951 0.00 0.00 ENZA ATOM 1282 HB2 PRO 91 -3.507 4.511 26.326 0.00 0.00 ENZA ATOM 1283 CG PRO 91 -2.899 6.460 26.805 0.00 0.00 ENZA ATOM 1284 HG1 PRO 91 -3.191 7.385 27.339 0.00 0.00 ENZA ATOM 1285 HG2 PRO 91 -2.828 6.717 25.723 0.00 0.00 ENZA ATOM 1286 C PRO 91 -3.889 3.455 28.775 0.00 0.00 ENZA ATOM 1287 O PRO 91 -3.063 2.553 28.561 0.00 0.00 ENZA ATOM 1288 N ILE 92 -5.144 3.271 29.383 0.00 0.00 ENZA ATOM 1289 HN ILE 92 -5.750 4.057 29.485 0.00 0.00 ENZA ATOM 1290 CA ILE 92 -5.643 2.005 29.909 0.00 0.00 ENZA ATOM 1291 HA ILE 92 -4.894 1.239 29.754 0.00 0.00 ENZA ATOM 1292 CB ILE 92 -6.157 1.885 31.371 0.00 0.00 ENZA ATOM 1293 HB ILE 92 -7.095 2.489 31.453 0.00 0.00 ENZA ATOM 1294 CG2 ILE 92 -6.571 0.437 31.565 0.00 0.00 ENZA ATOM 1295 HG21 ILE 92 -5.626 -0.105 31.352 0.00 0.00 ENZA ATOM 1296 HG22 ILE 92 -6.902 0.283 32.614 0.00 0.00 ENZA ATOM 1297 HG23 ILE 92 -7.403 0.209 30.865 0.00 0.00 ENZA ATOM 1298 CG1 ILE 92 -5.119 2.373 32.375 0.00 0.00 ENZA ATOM 1299 HG11 ILE 92 -4.943 3.459 32.202 0.00 0.00 ENZA ATOM 1300 HG12 ILE 92 -5.598 2.217 33.369 0.00 0.00 ENZA ATOM 1301 CD ILE 92 -3.783 1.671 32.312 0.00 0.00 ENZA ATOM 1302 HD1 ILE 92 -3.143 2.052 31.486 0.00 0.00 ENZA ATOM 1303 HD2 ILE 92 -3.102 1.916 33.155 0.00 0.00 ENZA ATOM 1304 HD3 ILE 92 -3.927 0.571 32.363 0.00 0.00 ENZA ATOM 1305 C ILE 92 -6.852 1.697 29.030 0.00 0.00 ENZA ATOM 1306 O ILE 92 -7.825 2.395 28.852 0.00 0.00 ENZA ATOM 1307 N LEU 93 -6.839 0.559 28.345 0.00 0.00 ENZA ATOM 1308 HN LEU 93 -6.034 -0.032 28.373 0.00 0.00 ENZA ATOM 1309 CA LEU 93 -7.823 0.085 27.334 0.00 0.00 ENZA ATOM 1310 HA LEU 93 -8.636 0.786 27.189 0.00 0.00 ENZA ATOM 1311 CB LEU 93 -7.165 -0.086 25.882 0.00 0.00 ENZA ATOM 1312 HB1 LEU 93 -6.445 -0.917 26.074 0.00 0.00 ENZA ATOM 1313 HB2 LEU 93 -7.914 -0.524 25.187 0.00 0.00 ENZA ATOM 1314 CG LEU 93 -6.530 1.171 25.365 0.00 0.00 ENZA ATOM 1315 HG LEU 93 -5.782 1.562 26.097 0.00 0.00 ENZA ATOM 1316 CD1 LEU 93 -5.618 0.970 24.161 0.00 0.00 ENZA ATOM 1317 HD11 LEU 93 -6.151 0.807 23.199 0.00 0.00 ENZA ATOM 1318 HD12 LEU 93 -4.920 1.831 24.089 0.00 0.00 ENZA ATOM 1319 HD13 LEU 93 -4.965 0.079 24.274 0.00 0.00 ENZA ATOM 1320 CD2 LEU 93 -7.547 2.314 25.215 0.00 0.00 ENZA ATOM 1321 HD21 LEU 93 -6.949 3.207 24.940 0.00 0.00 ENZA ATOM 1322 HD22 LEU 93 -8.328 2.061 24.469 0.00 0.00 ENZA ATOM 1323 HD23 LEU 93 -8.011 2.549 26.197 0.00 0.00 ENZA ATOM 1324 C LEU 93 -8.525 -1.255 27.707 0.00 0.00 ENZA ATOM 1325 O LEU 93 -8.156 -2.042 28.551 0.00 0.00 ENZA ATOM 1326 N LYS 94 -9.699 -1.470 27.074 0.00 0.00 ENZA ATOM 1327 HN LYS 94 -9.990 -0.890 26.312 0.00 0.00 ENZA ATOM 1328 CA LYS 94 -10.712 -2.405 27.537 0.00 0.00 ENZA ATOM 1329 HA LYS 94 -10.587 -2.580 28.599 0.00 0.00 ENZA ATOM 1330 CB LYS 94 -12.129 -1.822 27.284 0.00 0.00 ENZA ATOM 1331 HB1 LYS 94 -12.283 -1.721 26.185 0.00 0.00 ENZA ATOM 1332 HB2 LYS 94 -12.901 -2.524 27.672 0.00 0.00 ENZA ATOM 1333 CG LYS 94 -12.365 -0.439 27.914 0.00 0.00 ENZA ATOM 1334 HG1 LYS 94 -12.369 -0.533 29.023 0.00 0.00 ENZA ATOM 1335 HG2 LYS 94 -11.525 0.232 27.630 0.00 0.00 ENZA ATOM 1336 CD LYS 94 -13.678 0.198 27.424 0.00 0.00 ENZA ATOM 1337 HD1 LYS 94 -13.645 0.269 26.313 0.00 0.00 ENZA ATOM 1338 HD2 LYS 94 -14.520 -0.483 27.685 0.00 0.00 ENZA ATOM 1339 CE LYS 94 -13.985 1.587 28.002 0.00 0.00 ENZA ATOM 1340 HE1 LYS 94 -14.937 1.974 27.577 0.00 0.00 ENZA ATOM 1341 HE2 LYS 94 -14.087 1.531 29.106 0.00 0.00 ENZA ATOM 1342 NZ LYS 94 -12.919 2.558 27.677 0.00 0.00 ENZA ATOM 1343 HZ1 LYS 94 -12.008 2.292 28.121 0.00 0.00 ENZA ATOM 1344 HZ2 LYS 94 -12.811 2.621 26.626 0.00 0.00 ENZA ATOM 1345 HZ3 LYS 94 -13.207 3.506 28.027 0.00 0.00 ENZA ATOM 1346 C LYS 94 -10.645 -3.748 26.829 0.00 0.00 ENZA ATOM 1347 O LYS 94 -10.259 -3.847 25.662 0.00 0.00 ENZA ATOM 1348 N GLY 95 -11.069 -4.831 27.508 0.00 0.00 ENZA ATOM 1349 HN GLY 95 -11.361 -4.740 28.469 0.00 0.00 ENZA ATOM 1350 CA GLY 95 -11.078 -6.164 26.917 0.00 0.00 ENZA ATOM 1351 HA1 GLY 95 -10.226 -6.695 27.312 0.00 0.00 ENZA ATOM 1352 HA2 GLY 95 -11.070 -6.100 25.838 0.00 0.00 ENZA ATOM 1353 C GLY 95 -12.297 -6.956 27.283 0.00 0.00 ENZA ATOM 1354 O GLY 95 -12.203 -7.984 27.952 0.00 0.00 ENZA ATOM 1355 N VAL 96 -13.487 -6.513 26.840 0.00 0.00 ENZA ATOM 1356 HN VAL 96 -13.681 -5.616 26.452 0.00 0.00 ENZA ATOM 1357 CA VAL 96 -14.792 -7.197 27.095 0.00 0.00 ENZA ATOM 1358 HA VAL 96 -14.854 -7.606 28.094 0.00 0.00 ENZA ATOM 1359 CB VAL 96 -15.984 -6.208 26.938 0.00 0.00 ENZA ATOM 1360 HB VAL 96 -15.859 -5.852 25.885 0.00 0.00 ENZA ATOM 1361 CG1 VAL 96 -17.365 -6.782 27.158 0.00 0.00 ENZA ATOM 1362 HG11 VAL 96 -17.513 -7.039 28.229 0.00 0.00 ENZA ATOM 1363 HG12 VAL 96 -18.097 -6.027 26.804 0.00 0.00 ENZA ATOM 1364 HG13 VAL 96 -17.489 -7.636 26.458 0.00 0.00 ENZA ATOM 1365 CG2 VAL 96 -15.771 -5.034 27.992 0.00 0.00 ENZA ATOM 1366 HG21 VAL 96 -14.937 -4.369 27.684 0.00 0.00 ENZA ATOM 1367 HG22 VAL 96 -16.696 -4.421 27.927 0.00 0.00 ENZA ATOM 1368 HG23 VAL 96 -15.733 -5.388 29.042 0.00 0.00 ENZA ATOM 1369 C VAL 96 -15.053 -8.445 26.201 0.00 0.00 ENZA ATOM 1370 O VAL 96 -15.074 -8.346 24.961 0.00 0.00 ENZA ATOM 1371 N ARG 97 -15.314 -9.644 26.780 0.00 0.00 ENZA ATOM 1372 HN ARG 97 -15.398 -9.727 27.777 0.00 0.00 ENZA ATOM 1373 CA ARG 97 -15.645 -10.835 25.995 0.00 0.00 ENZA ATOM 1374 HA ARG 97 -15.894 -10.539 24.985 0.00 0.00 ENZA ATOM 1375 CB ARG 97 -14.468 -11.849 25.884 0.00 0.00 ENZA ATOM 1376 HB1 ARG 97 -14.174 -12.186 26.902 0.00 0.00 ENZA ATOM 1377 HB2 ARG 97 -14.821 -12.742 25.320 0.00 0.00 ENZA ATOM 1378 CG ARG 97 -13.236 -11.274 25.145 0.00 0.00 ENZA ATOM 1379 HG1 ARG 97 -13.591 -10.783 24.210 0.00 0.00 ENZA ATOM 1380 HG2 ARG 97 -12.778 -10.487 25.787 0.00 0.00 ENZA ATOM 1381 CD ARG 97 -12.166 -12.308 24.765 0.00 0.00 ENZA ATOM 1382 HD1 ARG 97 -11.768 -12.821 25.669 0.00 0.00 ENZA ATOM 1383 HD2 ARG 97 -12.585 -13.063 24.058 0.00 0.00 ENZA ATOM 1384 NE ARG 97 -11.064 -11.548 24.092 0.00 0.00 ENZA ATOM 1385 HE ARG 97 -11.131 -10.549 23.963 0.00 0.00 ENZA ATOM 1386 CZ ARG 97 -9.964 -12.093 23.553 0.00 0.00 ENZA ATOM 1387 NH1 ARG 97 -9.727 -13.397 23.570 0.00 0.00 ENZA ATOM 1388 HH11 ARG 97 -8.824 -13.720 23.244 0.00 0.00 ENZA ATOM 1389 HH12 ARG 97 -10.360 -14.034 24.013 0.00 0.00 ENZA ATOM 1390 NH2 ARG 97 -9.070 -11.273 23.000 0.00 0.00 ENZA ATOM 1391 HH21 ARG 97 -8.242 -11.623 22.534 0.00 0.00 ENZA ATOM 1392 HH22 ARG 97 -9.264 -10.297 23.032 0.00 0.00 ENZA ATOM 1393 C ARG 97 -16.899 -11.535 26.522 0.00 0.00 ENZA ATOM 1394 O ARG 97 -16.905 -12.149 27.588 0.00 0.00 ENZA ATOM 1395 N ASP 98 -18.005 -11.445 25.751 0.00 0.00 ENZA ATOM 1396 HN ASP 98 -18.011 -10.922 24.904 0.00 0.00 ENZA ATOM 1397 CA ASP 98 -19.305 -11.905 26.059 0.00 0.00 ENZA ATOM 1398 HA ASP 98 -19.910 -11.544 25.235 0.00 0.00 ENZA ATOM 1399 CB ASP 98 -19.485 -13.509 26.174 0.00 0.00 ENZA ATOM 1400 HB1 ASP 98 -18.978 -13.757 27.129 0.00 0.00 ENZA ATOM 1401 HB2 ASP 98 -20.558 -13.778 26.189 0.00 0.00 ENZA ATOM 1402 CG ASP 98 -18.938 -14.224 24.969 0.00 0.00 ENZA ATOM 1403 OD1 ASP 98 -18.849 -13.705 23.830 0.00 0.00 ENZA ATOM 1404 OD2 ASP 98 -18.510 -15.403 25.122 0.00 0.00 ENZA ATOM 1405 C ASP 98 -20.062 -11.202 27.106 0.00 0.00 ENZA ATOM 1406 O ASP 98 -20.689 -11.871 27.903 0.00 0.00 ENZA ATOM 1407 N ASN 99 -20.073 -9.880 27.078 0.00 0.00 ENZA ATOM 1408 HN ASN 99 -19.749 -9.505 26.211 0.00 0.00 ENZA ATOM 1409 CA ASN 99 -20.561 -8.843 27.917 0.00 0.00 ENZA ATOM 1410 HA ASN 99 -20.447 -8.008 27.232 0.00 0.00 ENZA ATOM 1411 CB ASN 99 -22.130 -8.963 28.145 0.00 0.00 ENZA ATOM 1412 HB1 ASN 99 -22.332 -10.001 28.493 0.00 0.00 ENZA ATOM 1413 HB2 ASN 99 -22.521 -8.257 28.904 0.00 0.00 ENZA ATOM 1414 CG ASN 99 -22.984 -8.640 26.895 0.00 0.00 ENZA ATOM 1415 OD1 ASN 99 -22.887 -7.518 26.362 0.00 0.00 ENZA ATOM 1416 ND2 ASN 99 -23.900 -9.519 26.431 0.00 0.00 ENZA ATOM 1417 HD21 ASN 99 -24.084 -9.329 25.471 0.00 0.00 ENZA ATOM 1418 HD22 ASN 99 -24.062 -10.452 26.739 0.00 0.00 ENZA ATOM 1419 C ASN 99 -19.782 -8.441 29.141 0.00 0.00 ENZA ATOM 1420 O ASN 99 -19.651 -7.211 29.452 0.00 0.00 ENZA ATOM 1421 N VAL 100 -19.228 -9.465 29.819 0.00 0.00 ENZA ATOM 1422 HN VAL 100 -19.288 -10.372 29.410 0.00 0.00 ENZA ATOM 1423 CA VAL 100 -18.401 -9.310 30.962 0.00 0.00 ENZA ATOM 1424 HA VAL 100 -18.763 -8.481 31.556 0.00 0.00 ENZA ATOM 1425 CB VAL 100 -18.529 -10.550 31.814 0.00 0.00 ENZA ATOM 1426 HB VAL 100 -17.817 -10.560 32.676 0.00 0.00 ENZA ATOM 1427 CG1 VAL 100 -19.957 -10.630 32.337 0.00 0.00 ENZA ATOM 1428 HG11 VAL 100 -20.302 -9.754 32.928 0.00 0.00 ENZA ATOM 1429 HG12 VAL 100 -20.628 -10.758 31.462 0.00 0.00 ENZA ATOM 1430 HG13 VAL 100 -20.144 -11.482 33.026 0.00 0.00 ENZA ATOM 1431 CG2 VAL 100 -18.314 -11.842 31.046 0.00 0.00 ENZA ATOM 1432 HG21 VAL 100 -17.279 -11.892 30.645 0.00 0.00 ENZA ATOM 1433 HG22 VAL 100 -18.481 -12.791 31.598 0.00 0.00 ENZA ATOM 1434 HG23 VAL 100 -18.875 -11.823 30.090 0.00 0.00 ENZA ATOM 1435 C VAL 100 -16.945 -9.122 30.656 0.00 0.00 ENZA ATOM 1436 O VAL 100 -16.422 -9.474 29.540 0.00 0.00 ENZA ATOM 1437 N ASP 101 -16.148 -8.489 31.662 0.00 0.00 ENZA ATOM 1438 HN ASP 101 -16.563 -8.362 32.560 0.00 0.00 ENZA ATOM 1439 CA ASP 101 -14.774 -8.146 31.516 0.00 0.00 ENZA ATOM 1440 HA ASP 101 -14.636 -7.674 30.552 0.00 0.00 ENZA ATOM 1441 CB ASP 101 -14.409 -7.136 32.665 0.00 0.00 ENZA ATOM 1442 HB1 ASP 101 -15.033 -7.449 33.525 0.00 0.00 ENZA ATOM 1443 HB2 ASP 101 -13.359 -7.097 33.015 0.00 0.00 ENZA ATOM 1444 CG ASP 101 -14.891 -5.745 32.199 0.00 0.00 ENZA ATOM 1445 OD1 ASP 101 -14.058 -4.962 31.746 0.00 0.00 ENZA ATOM 1446 OD2 ASP 101 -16.142 -5.457 32.287 0.00 0.00 ENZA ATOM 1447 C ASP 101 -13.847 -9.372 31.533 0.00 0.00 ENZA ATOM 1448 O ASP 101 -14.089 -10.389 32.150 0.00 0.00 ENZA ATOM 1449 N TYR 102 -12.754 -9.321 30.744 0.00 0.00 ENZA ATOM 1450 HN TYR 102 -12.561 -8.511 30.196 0.00 0.00 ENZA ATOM 1451 CA TYR 102 -11.926 -10.494 30.505 0.00 0.00 ENZA ATOM 1452 HA TYR 102 -12.082 -11.215 31.297 0.00 0.00 ENZA ATOM 1453 CB TYR 102 -12.299 -11.112 29.127 0.00 0.00 ENZA ATOM 1454 HB1 TYR 102 -13.389 -10.967 28.959 0.00 0.00 ENZA ATOM 1455 HB2 TYR 102 -11.760 -10.630 28.285 0.00 0.00 ENZA ATOM 1456 CG TYR 102 -12.060 -12.594 29.115 0.00 0.00 ENZA ATOM 1457 CD1 TYR 102 -11.008 -13.167 28.381 0.00 0.00 ENZA ATOM 1458 HD1 TYR 102 -10.341 -12.533 27.816 0.00 0.00 ENZA ATOM 1459 CE1 TYR 102 -10.818 -14.559 28.384 0.00 0.00 ENZA ATOM 1460 HE1 TYR 102 -10.005 -14.999 27.824 0.00 0.00 ENZA ATOM 1461 CZ TYR 102 -11.672 -15.378 29.130 0.00 0.00 ENZA ATOM 1462 OH TYR 102 -11.481 -16.771 29.168 0.00 0.00 ENZA ATOM 1463 HH TYR 102 -11.925 -17.090 29.977 0.00 0.00 ENZA ATOM 1464 CD2 TYR 102 -12.916 -13.428 29.851 0.00 0.00 ENZA ATOM 1465 HD2 TYR 102 -13.732 -12.995 30.415 0.00 0.00 ENZA ATOM 1466 CE2 TYR 102 -12.721 -14.814 29.862 0.00 0.00 ENZA ATOM 1467 HE2 TYR 102 -13.386 -15.446 30.432 0.00 0.00 ENZA ATOM 1468 C TYR 102 -10.452 -10.141 30.569 0.00 0.00 ENZA ATOM 1469 O TYR 102 -9.682 -10.726 31.331 0.00 0.00 ENZA ATOM 1470 N TYR 103 -10.026 -9.150 29.766 0.00 0.00 ENZA ATOM 1471 HN TYR 103 -10.663 -8.697 29.141 0.00 0.00 ENZA ATOM 1472 CA TYR 103 -8.682 -8.610 29.820 0.00 0.00 ENZA ATOM 1473 HA TYR 103 -8.129 -9.036 30.647 0.00 0.00 ENZA ATOM 1474 CB TYR 103 -7.904 -8.812 28.486 0.00 0.00 ENZA ATOM 1475 HB1 TYR 103 -8.437 -8.280 27.668 0.00 0.00 ENZA ATOM 1476 HB2 TYR 103 -6.882 -8.389 28.570 0.00 0.00 ENZA ATOM 1477 CG TYR 103 -7.745 -10.254 28.073 0.00 0.00 ENZA ATOM 1478 CD1 TYR 103 -7.793 -10.570 26.705 0.00 0.00 ENZA ATOM 1479 HD1 TYR 103 -7.961 -9.785 25.984 0.00 0.00 ENZA ATOM 1480 CE1 TYR 103 -7.631 -11.889 26.265 0.00 0.00 ENZA ATOM 1481 HE1 TYR 103 -7.658 -12.122 25.212 0.00 0.00 ENZA ATOM 1482 CZ TYR 103 -7.452 -12.915 27.191 0.00 0.00 ENZA ATOM 1483 OH TYR 103 -7.338 -14.241 26.741 0.00 0.00 ENZA ATOM 1484 HH TYR 103 -7.270 -14.799 27.539 0.00 0.00 ENZA ATOM 1485 CD2 TYR 103 -7.504 -11.293 28.993 0.00 0.00 ENZA ATOM 1486 HD2 TYR 103 -7.432 -11.081 30.048 0.00 0.00 ENZA ATOM 1487 CE2 TYR 103 -7.380 -12.620 28.556 0.00 0.00 ENZA ATOM 1488 HE2 TYR 103 -7.229 -13.410 29.277 0.00 0.00 ENZA ATOM 1489 C TYR 103 -8.760 -7.117 30.075 0.00 0.00 ENZA ATOM 1490 O TYR 103 -9.804 -6.490 29.900 0.00 0.00 ENZA ATOM 1491 N VAL 104 -7.631 -6.507 30.472 0.00 0.00 ENZA ATOM 1492 HN VAL 104 -6.831 -7.051 30.740 0.00 0.00 ENZA ATOM 1493 CA VAL 104 -7.434 -5.068 30.421 0.00 0.00 ENZA ATOM 1494 HA VAL 104 -8.202 -4.607 29.814 0.00 0.00 ENZA ATOM 1495 CB VAL 104 -7.453 -4.422 31.805 0.00 0.00 ENZA ATOM 1496 HB VAL 104 -6.814 -5.010 32.501 0.00 0.00 ENZA ATOM 1497 CG1 VAL 104 -6.948 -2.967 31.775 0.00 0.00 ENZA ATOM 1498 HG11 VAL 104 -7.064 -2.507 32.780 0.00 0.00 ENZA ATOM 1499 HG12 VAL 104 -5.873 -2.909 31.501 0.00 0.00 ENZA ATOM 1500 HG13 VAL 104 -7.537 -2.366 31.050 0.00 0.00 ENZA ATOM 1501 CG2 VAL 104 -8.900 -4.453 32.332 0.00 0.00 ENZA ATOM 1502 HG21 VAL 104 -8.961 -3.940 33.312 0.00 0.00 ENZA ATOM 1503 HG22 VAL 104 -9.576 -3.931 31.623 0.00 0.00 ENZA ATOM 1504 HG23 VAL 104 -9.255 -5.497 32.461 0.00 0.00 ENZA ATOM 1505 C VAL 104 -6.117 -4.847 29.699 0.00 0.00 ENZA ATOM 1506 O VAL 104 -5.114 -5.493 29.991 0.00 0.00 ENZA ATOM 1507 N TYR 105 -6.086 -3.954 28.695 0.00 0.00 ENZA ATOM 1508 HN TYR 105 -6.878 -3.356 28.535 0.00 0.00 ENZA ATOM 1509 CA TYR 105 -4.921 -3.730 27.859 0.00 0.00 ENZA ATOM 1510 HA TYR 105 -4.178 -4.497 28.034 0.00 0.00 ENZA ATOM 1511 CB TYR 105 -5.285 -3.714 26.347 0.00 0.00 ENZA ATOM 1512 HB1 TYR 105 -6.107 -2.991 26.169 0.00 0.00 ENZA ATOM 1513 HB2 TYR 105 -4.407 -3.403 25.741 0.00 0.00 ENZA ATOM 1514 CG TYR 105 -5.740 -5.058 25.828 0.00 0.00 ENZA ATOM 1515 CD1 TYR 105 -7.104 -5.398 25.812 0.00 0.00 ENZA ATOM 1516 HD1 TYR 105 -7.827 -4.719 26.239 0.00 0.00 ENZA ATOM 1517 CE1 TYR 105 -7.539 -6.585 25.202 0.00 0.00 ENZA ATOM 1518 HE1 TYR 105 -8.592 -6.818 25.160 0.00 0.00 ENZA ATOM 1519 CZ TYR 105 -6.616 -7.447 24.599 0.00 0.00 ENZA ATOM 1520 OH TYR 105 -7.096 -8.580 23.900 0.00 0.00 ENZA ATOM 1521 HH TYR 105 -6.393 -8.932 23.316 0.00 0.00 ENZA ATOM 1522 CD2 TYR 105 -4.819 -5.948 25.250 0.00 0.00 ENZA ATOM 1523 HD2 TYR 105 -3.770 -5.693 25.234 0.00 0.00 ENZA ATOM 1524 CE2 TYR 105 -5.251 -7.141 24.648 0.00 0.00 ENZA ATOM 1525 HE2 TYR 105 -4.530 -7.798 24.185 0.00 0.00 ENZA ATOM 1526 C TYR 105 -4.281 -2.393 28.215 0.00 0.00 ENZA ATOM 1527 O TYR 105 -4.937 -1.367 28.345 0.00 0.00 ENZA ATOM 1528 N ASN 106 -2.955 -2.351 28.366 0.00 0.00 ENZA ATOM 1529 HN ASN 106 -2.352 -3.135 28.224 0.00 0.00 ENZA ATOM 1530 CA ASN 106 -2.156 -1.147 28.610 0.00 0.00 ENZA ATOM 1531 HA ASN 106 -2.758 -0.316 28.959 0.00 0.00 ENZA ATOM 1532 CB ASN 106 -1.193 -1.440 29.820 0.00 0.00 ENZA ATOM 1533 HB1 ASN 106 -0.360 -2.068 29.437 0.00 0.00 ENZA ATOM 1534 HB2 ASN 106 -0.711 -0.483 30.109 0.00 0.00 ENZA ATOM 1535 CG ASN 106 -1.903 -2.107 30.983 0.00 0.00 ENZA ATOM 1536 OD1 ASN 106 -2.478 -1.466 31.829 0.00 0.00 ENZA ATOM 1537 ND2 ASN 106 -1.841 -3.423 31.112 0.00 0.00 ENZA ATOM 1538 HD21 ASN 106 -2.278 -3.825 31.911 0.00 0.00 ENZA ATOM 1539 HD22 ASN 106 -1.717 -3.987 30.303 0.00 0.00 ENZA ATOM 1540 C ASN 106 -1.308 -0.821 27.422 0.00 0.00 ENZA ATOM 1541 O ASN 106 -0.831 -1.749 26.721 0.00 0.00 ENZA ATOM 1542 N CYS 107 -1.068 0.430 27.120 0.00 0.00 ENZA ATOM 1543 HN CYS 107 -1.417 1.158 27.709 0.00 0.00 ENZA ATOM 1544 CA CYS 107 -0.639 0.772 25.771 0.00 0.00 ENZA ATOM 1545 HA CYS 107 -0.577 -0.034 25.049 0.00 0.00 ENZA ATOM 1546 CB CYS 107 -1.522 1.904 25.105 0.00 0.00 ENZA ATOM 1547 HB1 CYS 107 -2.436 1.329 24.831 0.00 0.00 ENZA ATOM 1548 HB2 CYS 107 -1.763 2.671 25.874 0.00 0.00 ENZA ATOM 1549 SG CYS 107 -0.928 2.588 23.480 0.00 0.00 ENZA ATOM 1550 HG1 CYS 107 0.107 3.285 23.952 0.00 0.00 ENZA ATOM 1551 C CYS 107 0.737 1.264 25.861 0.00 0.00 ENZA ATOM 1552 O CYS 107 1.154 2.159 26.592 0.00 0.00 ENZA ATOM 1553 N LEU 108 1.640 0.676 24.993 0.00 0.00 ENZA ATOM 1554 HN LEU 108 1.294 -0.153 24.560 0.00 0.00 ENZA ATOM 1555 CA LEU 108 2.985 1.099 24.656 0.00 0.00 ENZA ATOM 1556 HA LEU 108 3.279 1.870 25.358 0.00 0.00 ENZA ATOM 1557 CB LEU 108 3.951 -0.084 24.793 0.00 0.00 ENZA ATOM 1558 HB1 LEU 108 3.553 -0.969 24.246 0.00 0.00 ENZA ATOM 1559 HB2 LEU 108 4.936 0.164 24.343 0.00 0.00 ENZA ATOM 1560 CG LEU 108 4.391 -0.609 26.192 0.00 0.00 ENZA ATOM 1561 HG LEU 108 3.538 -1.142 26.678 0.00 0.00 ENZA ATOM 1562 CD1 LEU 108 5.562 -1.596 26.048 0.00 0.00 ENZA ATOM 1563 HD11 LEU 108 5.765 -2.040 27.046 0.00 0.00 ENZA ATOM 1564 HD12 LEU 108 5.182 -2.358 25.333 0.00 0.00 ENZA ATOM 1565 HD13 LEU 108 6.517 -1.162 25.679 0.00 0.00 ENZA ATOM 1566 CD2 LEU 108 4.903 0.546 27.013 0.00 0.00 ENZA ATOM 1567 HD21 LEU 108 5.807 0.994 26.547 0.00 0.00 ENZA ATOM 1568 HD22 LEU 108 4.126 1.299 27.257 0.00 0.00 ENZA ATOM 1569 HD23 LEU 108 5.273 0.075 27.950 0.00 0.00 ENZA ATOM 1570 C LEU 108 2.957 1.732 23.212 0.00 0.00 ENZA ATOM 1571 O LEU 108 1.998 1.442 22.461 0.00 0.00 ENZA ATOM 1572 N VAL 109 3.941 2.582 22.880 0.00 0.00 ENZA ATOM 1573 HN VAL 109 4.595 2.723 23.618 0.00 0.00 ENZA ATOM 1574 CA VAL 109 3.875 3.482 21.671 0.00 0.00 ENZA ATOM 1575 HA VAL 109 2.838 3.729 21.492 0.00 0.00 ENZA ATOM 1576 CB VAL 109 4.701 4.731 21.991 0.00 0.00 ENZA ATOM 1577 HB VAL 109 4.698 4.942 23.088 0.00 0.00 ENZA ATOM 1578 CG1 VAL 109 6.165 4.443 21.666 0.00 0.00 ENZA ATOM 1579 HG11 VAL 109 6.494 3.505 22.163 0.00 0.00 ENZA ATOM 1580 HG12 VAL 109 6.112 4.320 20.564 0.00 0.00 ENZA ATOM 1581 HG13 VAL 109 6.846 5.290 21.898 0.00 0.00 ENZA ATOM 1582 CG2 VAL 109 4.175 5.929 21.219 0.00 0.00 ENZA ATOM 1583 HG21 VAL 109 4.784 6.828 21.455 0.00 0.00 ENZA ATOM 1584 HG22 VAL 109 4.382 5.752 20.142 0.00 0.00 ENZA ATOM 1585 HG23 VAL 109 3.077 6.045 21.325 0.00 0.00 ENZA ATOM 1586 C VAL 109 4.172 2.698 20.415 0.00 0.00 ENZA ATOM 1587 O VAL 109 4.880 1.641 20.440 0.00 0.00 ENZA ATOM 1588 N ARG 110 3.468 3.078 19.304 0.00 0.00 ENZA ATOM 1589 HN ARG 110 3.087 3.991 19.437 0.00 0.00 ENZA ATOM 1590 CA ARG 110 3.538 2.490 18.046 0.00 0.00 ENZA ATOM 1591 HA ARG 110 4.156 1.599 18.088 0.00 0.00 ENZA ATOM 1592 CB ARG 110 2.172 2.041 17.541 0.00 0.00 ENZA ATOM 1593 HB1 ARG 110 1.521 2.897 17.243 0.00 0.00 ENZA ATOM 1594 HB2 ARG 110 2.297 1.380 16.655 0.00 0.00 ENZA ATOM 1595 CG ARG 110 1.406 1.223 18.599 0.00 0.00 ENZA ATOM 1596 HG1 ARG 110 1.942 0.270 18.800 0.00 0.00 ENZA ATOM 1597 HG2 ARG 110 1.362 1.763 19.572 0.00 0.00 ENZA ATOM 1598 CD ARG 110 -0.033 0.978 18.136 0.00 0.00 ENZA ATOM 1599 HD1 ARG 110 0.003 0.671 17.065 0.00 0.00 ENZA ATOM 1600 HD2 ARG 110 -0.281 0.002 18.616 0.00 0.00 ENZA ATOM 1601 NE ARG 110 -0.989 2.058 18.456 0.00 0.00 ENZA ATOM 1602 HE ARG 110 -1.028 2.742 17.719 0.00 0.00 ENZA ATOM 1603 CZ ARG 110 -1.917 1.912 19.363 0.00 0.00 ENZA ATOM 1604 NH1 ARG 110 -2.558 2.986 19.783 0.00 0.00 ENZA ATOM 1605 HH11 ARG 110 -3.222 2.925 20.517 0.00 0.00 ENZA ATOM 1606 HH12 ARG 110 -2.590 3.877 19.328 0.00 0.00 ENZA ATOM 1607 NH2 ARG 110 -2.133 0.821 20.065 0.00 0.00 ENZA ATOM 1608 HH21 ARG 110 -2.834 0.976 20.745 0.00 0.00 ENZA ATOM 1609 HH22 ARG 110 -1.288 0.367 20.316 0.00 0.00 ENZA ATOM 1610 C ARG 110 4.172 3.441 17.122 0.00 0.00 ENZA ATOM 1611 O ARG 110 4.328 4.637 17.480 0.00 0.00 ENZA ATOM 1612 N THR 111 4.555 3.042 15.894 0.00 0.00 ENZA ATOM 1613 HN THR 111 4.377 2.122 15.547 0.00 0.00 ENZA ATOM 1614 CA THR 111 5.183 3.917 14.912 0.00 0.00 ENZA ATOM 1615 HA THR 111 4.907 4.953 15.049 0.00 0.00 ENZA ATOM 1616 CB THR 111 6.648 3.856 14.962 0.00 0.00 ENZA ATOM 1617 HB THR 111 7.091 4.188 15.933 0.00 0.00 ENZA ATOM 1618 OG1 THR 111 7.248 4.797 14.138 0.00 0.00 ENZA ATOM 1619 HG1 THR 111 6.925 5.695 14.270 0.00 0.00 ENZA ATOM 1620 CG2 THR 111 7.246 2.438 14.619 0.00 0.00 ENZA ATOM 1621 HG21 THR 111 6.899 2.090 13.624 0.00 0.00 ENZA ATOM 1622 HG22 THR 111 8.332 2.537 14.833 0.00 0.00 ENZA ATOM 1623 HG23 THR 111 6.873 1.722 15.383 0.00 0.00 ENZA ATOM 1624 C THR 111 4.731 3.664 13.490 0.00 0.00 ENZA ATOM 1625 O THR 111 4.393 2.535 13.205 0.00 0.00 ENZA ATOM 1626 N LYS 112 4.714 4.684 12.648 0.00 0.00 ENZA ATOM 1627 HN LYS 112 5.118 5.566 12.883 0.00 0.00 ENZA ATOM 1628 CA LYS 112 4.015 4.643 11.348 0.00 0.00 ENZA ATOM 1629 HA LYS 112 3.156 3.987 11.422 0.00 0.00 ENZA ATOM 1630 CB LYS 112 3.538 6.054 10.928 0.00 0.00 ENZA ATOM 1631 HB1 LYS 112 4.418 6.732 10.862 0.00 0.00 ENZA ATOM 1632 HB2 LYS 112 3.072 5.998 9.919 0.00 0.00 ENZA ATOM 1633 CG LYS 112 2.503 6.672 11.886 0.00 0.00 ENZA ATOM 1634 HG1 LYS 112 1.615 6.004 11.956 0.00 0.00 ENZA ATOM 1635 HG2 LYS 112 2.950 6.748 12.904 0.00 0.00 ENZA ATOM 1636 CD LYS 112 2.067 8.073 11.421 0.00 0.00 ENZA ATOM 1637 HD1 LYS 112 2.987 8.654 11.180 0.00 0.00 ENZA ATOM 1638 HD2 LYS 112 1.479 7.980 10.480 0.00 0.00 ENZA ATOM 1639 CE LYS 112 1.256 8.851 12.467 0.00 0.00 ENZA ATOM 1640 HE1 LYS 112 0.268 8.373 12.638 0.00 0.00 ENZA ATOM 1641 HE2 LYS 112 1.807 8.898 13.432 0.00 0.00 ENZA ATOM 1642 NZ LYS 112 1.039 10.227 12.003 0.00 0.00 ENZA ATOM 1643 HZ1 LYS 112 0.444 10.789 12.664 0.00 0.00 ENZA ATOM 1644 HZ2 LYS 112 1.951 10.734 11.882 0.00 0.00 ENZA ATOM 1645 HZ3 LYS 112 0.601 10.257 11.048 0.00 0.00 ENZA ATOM 1646 C LYS 112 4.943 4.051 10.284 0.00 0.00 ENZA ATOM 1647 O LYS 112 4.519 3.654 9.200 0.00 0.00 ENZA ATOM 1648 N ARG 113 6.255 3.936 10.583 0.00 0.00 ENZA ATOM 1649 HN ARG 113 6.597 4.315 11.439 0.00 0.00 ENZA ATOM 1650 CA ARG 113 7.228 3.297 9.712 0.00 0.00 ENZA ATOM 1651 HA ARG 113 7.082 3.692 8.715 0.00 0.00 ENZA ATOM 1652 CB ARG 113 8.677 3.648 10.132 0.00 0.00 ENZA ATOM 1653 HB1 ARG 113 9.377 3.361 9.314 0.00 0.00 ENZA ATOM 1654 HB2 ARG 113 8.726 4.757 10.217 0.00 0.00 ENZA ATOM 1655 CG ARG 113 9.173 3.005 11.446 0.00 0.00 ENZA ATOM 1656 HG1 ARG 113 8.334 2.949 12.170 0.00 0.00 ENZA ATOM 1657 HG2 ARG 113 9.497 1.961 11.229 0.00 0.00 ENZA ATOM 1658 CD ARG 113 10.336 3.741 12.117 0.00 0.00 ENZA ATOM 1659 HD1 ARG 113 10.715 3.159 12.988 0.00 0.00 ENZA ATOM 1660 HD2 ARG 113 11.172 3.897 11.403 0.00 0.00 ENZA ATOM 1661 NE ARG 113 9.761 5.033 12.615 0.00 0.00 ENZA ATOM 1662 HE ARG 113 8.955 5.002 13.214 0.00 0.00 ENZA ATOM 1663 CZ ARG 113 10.199 6.257 12.294 0.00 0.00 ENZA ATOM 1664 NH1 ARG 113 11.263 6.474 11.525 0.00 0.00 ENZA ATOM 1665 HH11 ARG 113 11.548 7.412 11.293 0.00 0.00 ENZA ATOM 1666 HH12 ARG 113 11.751 5.717 11.089 0.00 0.00 ENZA ATOM 1667 NH2 ARG 113 9.503 7.307 12.722 0.00 0.00 ENZA ATOM 1668 HH21 ARG 113 9.753 8.187 12.296 0.00 0.00 ENZA ATOM 1669 HH22 ARG 113 8.509 7.209 12.860 0.00 0.00 ENZA ATOM 1670 C ARG 113 7.024 1.788 9.624 0.00 0.00 ENZA ATOM 1671 O ARG 113 7.136 1.195 8.554 0.00 0.00 ENZA ATOM 1672 N ALA 114 6.649 1.137 10.741 0.00 0.00 ENZA ATOM 1673 HN ALA 114 6.544 1.638 11.594 0.00 0.00 ENZA ATOM 1674 CA ALA 114 6.280 -0.261 10.775 0.00 0.00 ENZA ATOM 1675 HA ALA 114 6.183 -0.661 9.774 0.00 0.00 ENZA ATOM 1676 CB ALA 114 7.359 -1.075 11.517 0.00 0.00 ENZA ATOM 1677 HB1 ALA 114 8.327 -0.995 10.976 0.00 0.00 ENZA ATOM 1678 HB2 ALA 114 7.507 -0.690 12.548 0.00 0.00 ENZA ATOM 1679 HB3 ALA 114 7.079 -2.149 11.576 0.00 0.00 ENZA ATOM 1680 C ALA 114 4.932 -0.405 11.478 0.00 0.00 ENZA ATOM 1681 O ALA 114 4.909 -0.582 12.701 0.00 0.00 ENZA ATOM 1682 N PRO 115 3.781 -0.341 10.794 0.00 0.00 ENZA ATOM 1683 CD PRO 115 3.655 0.172 9.424 0.00 0.00 ENZA ATOM 1684 HD1 PRO 115 4.464 0.878 9.141 0.00 0.00 ENZA ATOM 1685 HD2 PRO 115 3.639 -0.690 8.720 0.00 0.00 ENZA ATOM 1686 CA PRO 115 2.485 -0.371 11.471 0.00 0.00 ENZA ATOM 1687 HA PRO 115 2.525 0.328 12.292 0.00 0.00 ENZA ATOM 1688 CB PRO 115 1.483 0.043 10.384 0.00 0.00 ENZA ATOM 1689 HB1 PRO 115 0.624 0.603 10.808 0.00 0.00 ENZA ATOM 1690 HB2 PRO 115 1.101 -0.846 9.832 0.00 0.00 ENZA ATOM 1691 CG PRO 115 2.308 0.890 9.418 0.00 0.00 ENZA ATOM 1692 HG1 PRO 115 2.431 1.917 9.828 0.00 0.00 ENZA ATOM 1693 HG2 PRO 115 1.858 0.948 8.406 0.00 0.00 ENZA ATOM 1694 C PRO 115 2.133 -1.735 12.026 0.00 0.00 ENZA ATOM 1695 O PRO 115 1.218 -1.834 12.844 0.00 0.00 ENZA ATOM 1696 N SER 116 2.848 -2.787 11.593 0.00 0.00 ENZA ATOM 1697 HN SER 116 3.528 -2.658 10.874 0.00 0.00 ENZA ATOM 1698 CA SER 116 2.723 -4.161 12.041 0.00 0.00 ENZA ATOM 1699 HA SER 116 1.684 -4.450 11.968 0.00 0.00 ENZA ATOM 1700 CB SER 116 3.580 -5.110 11.158 0.00 0.00 ENZA ATOM 1701 HB1 SER 116 3.605 -6.136 11.591 0.00 0.00 ENZA ATOM 1702 HB2 SER 116 3.095 -5.180 10.160 0.00 0.00 ENZA ATOM 1703 OG SER 116 4.914 -4.621 10.968 0.00 0.00 ENZA ATOM 1704 HG1 SER 116 5.406 -5.340 10.526 0.00 0.00 ENZA ATOM 1705 C SER 116 3.141 -4.368 13.480 0.00 0.00 ENZA ATOM 1706 O SER 116 2.560 -5.189 14.192 0.00 0.00 ENZA ATOM 1707 N LEU 117 4.165 -3.619 13.935 0.00 0.00 ENZA ATOM 1708 HN LEU 117 4.588 -2.964 13.314 0.00 0.00 ENZA ATOM 1709 CA LEU 117 4.752 -3.738 15.252 0.00 0.00 ENZA ATOM 1710 HA LEU 117 4.847 -4.789 15.469 0.00 0.00 ENZA ATOM 1711 CB LEU 117 6.172 -3.120 15.253 0.00 0.00 ENZA ATOM 1712 HB1 LEU 117 6.757 -3.610 14.442 0.00 0.00 ENZA ATOM 1713 HB2 LEU 117 6.097 -2.041 14.996 0.00 0.00 ENZA ATOM 1714 CG LEU 117 6.971 -3.264 16.568 0.00 0.00 ENZA ATOM 1715 HG LEU 117 6.405 -2.753 17.384 0.00 0.00 ENZA ATOM 1716 CD1 LEU 117 7.181 -4.730 16.977 0.00 0.00 ENZA ATOM 1717 HD11 LEU 117 7.697 -5.287 16.166 0.00 0.00 ENZA ATOM 1718 HD12 LEU 117 7.805 -4.789 17.894 0.00 0.00 ENZA ATOM 1719 HD13 LEU 117 6.214 -5.232 17.188 0.00 0.00 ENZA ATOM 1720 CD2 LEU 117 8.329 -2.557 16.439 0.00 0.00 ENZA ATOM 1721 HD21 LEU 117 8.892 -2.623 17.394 0.00 0.00 ENZA ATOM 1722 HD22 LEU 117 8.936 -3.031 15.639 0.00 0.00 ENZA ATOM 1723 HD23 LEU 117 8.186 -1.485 16.188 0.00 0.00 ENZA ATOM 1724 C LEU 117 3.884 -3.104 16.335 0.00 0.00 ENZA ATOM 1725 O LEU 117 3.935 -1.899 16.577 0.00 0.00 ENZA ATOM 1726 N VAL 118 3.042 -3.906 17.014 0.00 0.00 ENZA ATOM 1727 HN VAL 118 3.044 -4.884 16.793 0.00 0.00 ENZA ATOM 1728 CA VAL 118 2.121 -3.430 18.041 0.00 0.00 ENZA ATOM 1729 HA VAL 118 2.240 -2.367 18.175 0.00 0.00 ENZA ATOM 1730 CB VAL 118 0.650 -3.616 17.652 0.00 0.00 ENZA ATOM 1731 HB VAL 118 0.443 -4.690 17.453 0.00 0.00 ENZA ATOM 1732 CG1 VAL 118 -0.286 -3.131 18.782 0.00 0.00 ENZA ATOM 1733 HG11 VAL 118 -1.342 -3.144 18.439 0.00 0.00 ENZA ATOM 1734 HG12 VAL 118 -0.215 -3.792 19.672 0.00 0.00 ENZA ATOM 1735 HG13 VAL 118 -0.026 -2.099 19.093 0.00 0.00 ENZA ATOM 1736 CG2 VAL 118 0.375 -2.822 16.357 0.00 0.00 ENZA ATOM 1737 HG21 VAL 118 0.656 -1.756 16.483 0.00 0.00 ENZA ATOM 1738 HG22 VAL 118 0.961 -3.236 15.508 0.00 0.00 ENZA ATOM 1739 HG23 VAL 118 -0.700 -2.877 16.088 0.00 0.00 ENZA ATOM 1740 C VAL 118 2.430 -4.118 19.371 0.00 0.00 ENZA ATOM 1741 O VAL 118 2.021 -5.266 19.579 0.00 0.00 ENZA ATOM 1742 N PRO 119 3.157 -3.498 20.300 0.00 0.00 ENZA ATOM 1743 CD PRO 119 4.009 -2.327 20.053 0.00 0.00 ENZA ATOM 1744 HD1 PRO 119 4.799 -2.599 19.317 0.00 0.00 ENZA ATOM 1745 HD2 PRO 119 3.419 -1.462 19.678 0.00 0.00 ENZA ATOM 1746 CA PRO 119 3.306 -4.013 21.656 0.00 0.00 ENZA ATOM 1747 HA PRO 119 3.396 -5.090 21.645 0.00 0.00 ENZA ATOM 1748 CB PRO 119 4.600 -3.339 22.144 0.00 0.00 ENZA ATOM 1749 HB1 PRO 119 5.469 -3.950 21.811 0.00 0.00 ENZA ATOM 1750 HB2 PRO 119 4.646 -3.225 23.246 0.00 0.00 ENZA ATOM 1751 CG PRO 119 4.631 -1.994 21.409 0.00 0.00 ENZA ATOM 1752 HG1 PRO 119 5.651 -1.570 21.318 0.00 0.00 ENZA ATOM 1753 HG2 PRO 119 3.979 -1.261 21.933 0.00 0.00 ENZA ATOM 1754 C PRO 119 2.120 -3.656 22.546 0.00 0.00 ENZA ATOM 1755 O PRO 119 1.646 -2.517 22.539 0.00 0.00 ENZA ATOM 1756 N LEU 120 1.630 -4.620 23.347 0.00 0.00 ENZA ATOM 1757 HN LEU 120 1.961 -5.568 23.278 0.00 0.00 ENZA ATOM 1758 CA LEU 120 0.624 -4.381 24.362 0.00 0.00 ENZA ATOM 1759 HA LEU 120 0.608 -3.333 24.628 0.00 0.00 ENZA ATOM 1760 CB LEU 120 -0.786 -4.836 23.899 0.00 0.00 ENZA ATOM 1761 HB1 LEU 120 -0.705 -5.878 23.516 0.00 0.00 ENZA ATOM 1762 HB2 LEU 120 -1.488 -4.847 24.762 0.00 0.00 ENZA ATOM 1763 CG LEU 120 -1.410 -3.952 22.797 0.00 0.00 ENZA ATOM 1764 HG LEU 120 -0.642 -3.794 22.002 0.00 0.00 ENZA ATOM 1765 CD1 LEU 120 -2.600 -4.661 22.140 0.00 0.00 ENZA ATOM 1766 HD11 LEU 120 -3.030 -4.039 21.327 0.00 0.00 ENZA ATOM 1767 HD12 LEU 120 -2.278 -5.631 21.703 0.00 0.00 ENZA ATOM 1768 HD13 LEU 120 -3.392 -4.870 22.889 0.00 0.00 ENZA ATOM 1769 CD2 LEU 120 -1.838 -2.577 23.335 0.00 0.00 ENZA ATOM 1770 HD21 LEU 120 -2.284 -1.968 22.521 0.00 0.00 ENZA ATOM 1771 HD22 LEU 120 -2.593 -2.698 24.142 0.00 0.00 ENZA ATOM 1772 HD23 LEU 120 -0.968 -2.027 23.748 0.00 0.00 ENZA ATOM 1773 C LEU 120 0.993 -5.143 25.624 0.00 0.00 ENZA ATOM 1774 O LEU 120 1.482 -6.271 25.580 0.00 0.00 ENZA ATOM 1775 N VAL 121 0.754 -4.538 26.803 0.00 0.00 ENZA ATOM 1776 HN VAL 121 0.362 -3.619 26.836 0.00 0.00 ENZA ATOM 1777 CA VAL 121 0.881 -5.230 28.078 0.00 0.00 ENZA ATOM 1778 HA VAL 121 1.370 -6.185 27.945 0.00 0.00 ENZA ATOM 1779 CB VAL 121 1.670 -4.442 29.121 0.00 0.00 ENZA ATOM 1780 HB VAL 121 1.175 -3.466 29.318 0.00 0.00 ENZA ATOM 1781 CG1 VAL 121 1.760 -5.228 30.446 0.00 0.00 ENZA ATOM 1782 HG11 VAL 121 0.764 -5.333 30.926 0.00 0.00 ENZA ATOM 1783 HG12 VAL 121 2.182 -6.241 30.275 0.00 0.00 ENZA ATOM 1784 HG13 VAL 121 2.423 -4.690 31.158 0.00 0.00 ENZA ATOM 1785 CG2 VAL 121 3.084 -4.165 28.572 0.00 0.00 ENZA ATOM 1786 HG21 VAL 121 3.698 -3.652 29.343 0.00 0.00 ENZA ATOM 1787 HG22 VAL 121 3.590 -5.115 28.304 0.00 0.00 ENZA ATOM 1788 HG23 VAL 121 3.047 -3.518 27.671 0.00 0.00 ENZA ATOM 1789 C VAL 121 -0.530 -5.505 28.549 0.00 0.00 ENZA ATOM 1790 O VAL 121 -1.386 -4.623 28.525 0.00 0.00 ENZA ATOM 1791 N VAL 122 -0.837 -6.749 28.940 0.00 0.00 ENZA ATOM 1792 HN VAL 122 -0.132 -7.466 29.003 0.00 0.00 ENZA ATOM 1793 CA VAL 122 -2.187 -7.197 29.211 0.00 0.00 ENZA ATOM 1794 HA VAL 122 -2.887 -6.391 29.040 0.00 0.00 ENZA ATOM 1795 CB VAL 122 -2.588 -8.366 28.311 0.00 0.00 ENZA ATOM 1796 HB VAL 122 -2.050 -9.293 28.620 0.00 0.00 ENZA ATOM 1797 CG1 VAL 122 -4.107 -8.602 28.414 0.00 0.00 ENZA ATOM 1798 HG11 VAL 122 -4.419 -9.400 27.708 0.00 0.00 ENZA ATOM 1799 HG12 VAL 122 -4.400 -8.920 29.436 0.00 0.00 ENZA ATOM 1800 HG13 VAL 122 -4.662 -7.674 28.156 0.00 0.00 ENZA ATOM 1801 CG2 VAL 122 -2.200 -8.057 26.850 0.00 0.00 ENZA ATOM 1802 HG21 VAL 122 -2.587 -7.062 26.552 0.00 0.00 ENZA ATOM 1803 HG22 VAL 122 -1.097 -8.063 26.717 0.00 0.00 ENZA ATOM 1804 HG23 VAL 122 -2.631 -8.820 26.169 0.00 0.00 ENZA ATOM 1805 C VAL 122 -2.315 -7.614 30.664 0.00 0.00 ENZA ATOM 1806 O VAL 122 -1.568 -8.451 31.166 0.00 0.00 ENZA ATOM 1807 N ASP 123 -3.298 -7.054 31.386 0.00 0.00 ENZA ATOM 1808 HN ASP 123 -3.899 -6.364 30.969 0.00 0.00 ENZA ATOM 1809 CA ASP 123 -3.723 -7.548 32.675 0.00 0.00 ENZA ATOM 1810 HA ASP 123 -2.884 -7.984 33.205 0.00 0.00 ENZA ATOM 1811 CB ASP 123 -4.362 -6.414 33.510 0.00 0.00 ENZA ATOM 1812 HB1 ASP 123 -4.914 -5.721 32.847 0.00 0.00 ENZA ATOM 1813 HB2 ASP 123 -5.071 -6.829 34.260 0.00 0.00 ENZA ATOM 1814 CG ASP 123 -3.310 -5.642 34.261 0.00 0.00 ENZA ATOM 1815 OD1 ASP 123 -3.088 -5.981 35.456 0.00 0.00 ENZA ATOM 1816 OD2 ASP 123 -2.727 -4.658 33.734 0.00 0.00 ENZA ATOM 1817 C ASP 123 -4.733 -8.665 32.434 0.00 0.00 ENZA ATOM 1818 O ASP 123 -5.736 -8.493 31.737 0.00 0.00 ENZA ATOM 1819 N VAL 124 -4.457 -9.864 32.982 0.00 0.00 ENZA ATOM 1820 HN VAL 124 -3.688 -9.978 33.613 0.00 0.00 ENZA ATOM 1821 CA VAL 124 -5.244 -11.056 32.726 0.00 0.00 ENZA ATOM 1822 HA VAL 124 -5.893 -10.894 31.877 0.00 0.00 ENZA ATOM 1823 CB VAL 124 -4.370 -12.268 32.427 0.00 0.00 ENZA ATOM 1824 HB VAL 124 -3.736 -12.493 33.315 0.00 0.00 ENZA ATOM 1825 CG1 VAL 124 -5.242 -13.495 32.098 0.00 0.00 ENZA ATOM 1826 HG11 VAL 124 -5.860 -13.801 32.968 0.00 0.00 ENZA ATOM 1827 HG12 VAL 124 -5.908 -13.279 31.237 0.00 0.00 ENZA ATOM 1828 HG13 VAL 124 -4.588 -14.351 31.822 0.00 0.00 ENZA ATOM 1829 CG2 VAL 124 -3.444 -11.946 31.236 0.00 0.00 ENZA ATOM 1830 HG21 VAL 124 -4.042 -11.656 30.345 0.00 0.00 ENZA ATOM 1831 HG22 VAL 124 -2.745 -11.117 31.474 0.00 0.00 ENZA ATOM 1832 HG23 VAL 124 -2.841 -12.839 30.968 0.00 0.00 ENZA ATOM 1833 C VAL 124 -6.111 -11.307 33.940 0.00 0.00 ENZA ATOM 1834 O VAL 124 -5.622 -11.606 35.029 0.00 0.00 ENZA ATOM 1835 N LEU 125 -7.443 -11.160 33.793 0.00 0.00 ENZA ATOM 1836 HN LEU 125 -7.824 -11.062 32.876 0.00 0.00 ENZA ATOM 1837 CA LEU 125 -8.309 -11.058 34.954 0.00 0.00 ENZA ATOM 1838 HA LEU 125 -7.728 -10.689 35.788 0.00 0.00 ENZA ATOM 1839 CB LEU 125 -9.636 -10.248 34.580 0.00 0.00 ENZA ATOM 1840 HB1 LEU 125 -10.151 -10.837 33.786 0.00 0.00 ENZA ATOM 1841 HB2 LEU 125 -10.387 -10.433 35.378 0.00 0.00 ENZA ATOM 1842 CG LEU 125 -9.453 -8.766 34.203 0.00 0.00 ENZA ATOM 1843 HG LEU 125 -8.791 -8.737 33.305 0.00 0.00 ENZA ATOM 1844 CD1 LEU 125 -10.787 -8.065 34.121 0.00 0.00 ENZA ATOM 1845 HD11 LEU 125 -11.343 -7.992 35.081 0.00 0.00 ENZA ATOM 1846 HD12 LEU 125 -10.536 -7.011 33.870 0.00 0.00 ENZA ATOM 1847 HD13 LEU 125 -11.452 -8.366 33.283 0.00 0.00 ENZA ATOM 1848 CD2 LEU 125 -8.802 -8.076 35.375 0.00 0.00 ENZA ATOM 1849 HD21 LEU 125 -8.586 -7.041 35.032 0.00 0.00 ENZA ATOM 1850 HD22 LEU 125 -9.438 -8.094 36.282 0.00 0.00 ENZA ATOM 1851 HD23 LEU 125 -7.851 -8.593 35.630 0.00 0.00 ENZA ATOM 1852 C LEU 125 -8.745 -12.442 35.496 0.00 0.00 ENZA ATOM 1853 O LEU 125 -8.776 -12.810 36.677 0.00 0.00 ENZA ATOM 1854 N THR 126 -9.226 -13.312 34.625 0.00 0.00 ENZA ATOM 1855 HN THR 126 -9.135 -13.103 33.652 0.00 0.00 ENZA ATOM 1856 CA THR 126 -9.903 -14.547 34.937 0.00 0.00 ENZA ATOM 1857 HA THR 126 -10.345 -14.393 35.913 0.00 0.00 ENZA ATOM 1858 CB THR 126 -10.941 -14.890 34.001 0.00 0.00 ENZA ATOM 1859 HB THR 126 -10.741 -15.835 33.440 0.00 0.00 ENZA ATOM 1860 OG1 THR 126 -11.276 -13.812 33.117 0.00 0.00 ENZA ATOM 1861 HG1 THR 126 -11.191 -14.241 32.259 0.00 0.00 ENZA ATOM 1862 CG2 THR 126 -12.168 -15.104 34.814 0.00 0.00 ENZA ATOM 1863 HG21 THR 126 -12.402 -14.240 35.470 0.00 0.00 ENZA ATOM 1864 HG22 THR 126 -13.034 -15.198 34.123 0.00 0.00 ENZA ATOM 1865 HG23 THR 126 -11.984 -16.012 35.427 0.00 0.00 ENZA ATOM 1866 C THR 126 -8.969 -15.778 35.104 0.00 0.00 ENZA ATOM 1867 O THR 126 -8.146 -16.109 34.221 0.00 0.00 ENZA ATOM 1868 N ASP 127 -9.072 -16.478 36.291 0.00 0.00 ENZA ATOM 1869 HN ASP 127 -9.653 -16.253 37.069 0.00 0.00 ENZA ATOM 1870 CA ASP 127 -8.348 -17.636 36.849 0.00 0.00 ENZA ATOM 1871 HA ASP 127 -7.406 -17.603 36.314 0.00 0.00 ENZA ATOM 1872 CB ASP 127 -8.236 -17.335 38.357 0.00 0.00 ENZA ATOM 1873 HB1 ASP 127 -7.611 -18.173 38.725 0.00 0.00 ENZA ATOM 1874 HB2 ASP 127 -7.650 -16.478 38.741 0.00 0.00 ENZA ATOM 1875 CG ASP 127 -9.588 -17.316 39.024 0.00 0.00 ENZA ATOM 1876 OD1 ASP 127 -9.890 -18.073 39.986 0.00 0.00 ENZA ATOM 1877 OD2 ASP 127 -10.408 -16.452 38.605 0.00 0.00 ENZA ATOM 1878 C ASP 127 -9.102 -18.920 36.508 0.00 0.00 ENZA ATOM 1879 O ASP 127 -8.646 -20.001 36.919 0.00 0.00 ENZA ATOM 1880 N ASN 128 -10.203 -18.878 35.822 0.00 0.00 ENZA ATOM 1881 HN ASN 128 -10.653 -18.014 35.601 0.00 0.00 ENZA ATOM 1882 CA ASN 128 -10.998 -20.042 35.327 0.00 0.00 ENZA ATOM 1883 HA ASN 128 -10.783 -20.898 35.956 0.00 0.00 ENZA ATOM 1884 CB ASN 128 -12.520 -19.784 35.228 0.00 0.00 ENZA ATOM 1885 HB1 ASN 128 -12.662 -18.806 34.718 0.00 0.00 ENZA ATOM 1886 HB2 ASN 128 -12.920 -20.571 34.556 0.00 0.00 ENZA ATOM 1887 CG ASN 128 -13.194 -19.782 36.581 0.00 0.00 ENZA ATOM 1888 OD1 ASN 128 -13.682 -18.769 37.031 0.00 0.00 ENZA ATOM 1889 ND2 ASN 128 -13.227 -20.975 37.246 0.00 0.00 ENZA ATOM 1890 HD21 ASN 128 -13.847 -20.884 38.021 0.00 0.00 ENZA ATOM 1891 HD22 ASN 128 -12.930 -21.772 36.733 0.00 0.00 ENZA ATOM 1892 C ASN 128 -10.543 -20.318 33.917 0.00 0.00 ENZA ATOM 1893 O ASN 128 -10.905 -19.590 32.994 0.00 0.00 ENZA ATOM 1894 N PRO 129 -9.816 -21.380 33.585 0.00 0.00 ENZA ATOM 1895 CD PRO 129 -9.050 -22.214 34.440 0.00 0.00 ENZA ATOM 1896 HD1 PRO 129 -8.114 -21.678 34.715 0.00 0.00 ENZA ATOM 1897 HD2 PRO 129 -9.482 -22.470 35.435 0.00 0.00 ENZA ATOM 1898 CA PRO 129 -9.539 -21.670 32.188 0.00 0.00 ENZA ATOM 1899 HA PRO 129 -9.326 -20.744 31.666 0.00 0.00 ENZA ATOM 1900 CB PRO 129 -8.436 -22.668 32.225 0.00 0.00 ENZA ATOM 1901 HB1 PRO 129 -7.477 -22.109 32.151 0.00 0.00 ENZA ATOM 1902 HB2 PRO 129 -8.409 -23.333 31.337 0.00 0.00 ENZA ATOM 1903 CG PRO 129 -8.624 -23.336 33.539 0.00 0.00 ENZA ATOM 1904 HG1 PRO 129 -7.808 -23.893 34.042 0.00 0.00 ENZA ATOM 1905 HG2 PRO 129 -9.487 -24.034 33.467 0.00 0.00 ENZA ATOM 1906 C PRO 129 -10.727 -22.307 31.593 0.00 0.00 ENZA ATOM 1907 O PRO 129 -10.852 -22.390 30.396 0.00 0.00 ENZA ATOM 1908 N ASP 130 -11.678 -22.672 32.358 0.00 0.00 ENZA ATOM 1909 HN ASP 130 -11.539 -22.506 33.331 0.00 0.00 ENZA ATOM 1910 CA ASP 130 -12.839 -23.439 31.946 0.00 0.00 ENZA ATOM 1911 HA ASP 130 -12.445 -24.410 31.666 0.00 0.00 ENZA ATOM 1912 CB ASP 130 -13.737 -23.612 33.207 0.00 0.00 ENZA ATOM 1913 HB1 ASP 130 -13.958 -22.549 33.424 0.00 0.00 ENZA ATOM 1914 HB2 ASP 130 -14.673 -24.167 32.997 0.00 0.00 ENZA ATOM 1915 CG ASP 130 -13.062 -24.153 34.373 0.00 0.00 ENZA ATOM 1916 OD1 ASP 130 -12.291 -23.474 35.126 0.00 0.00 ENZA ATOM 1917 OD2 ASP 130 -13.292 -25.363 34.714 0.00 0.00 ENZA ATOM 1918 C ASP 130 -13.566 -22.959 30.753 0.00 0.00 ENZA ATOM 1919 O ASP 130 -13.633 -23.532 29.674 0.00 0.00 ENZA ATOM 1920 N ASP 131 -14.240 -21.737 30.847 0.00 0.00 ENZA ATOM 1921 HN ASP 131 -14.443 -21.320 31.728 0.00 0.00 ENZA ATOM 1922 CA ASP 131 -14.827 -21.113 29.688 0.00 0.00 ENZA ATOM 1923 HA ASP 131 -15.164 -21.884 29.006 0.00 0.00 ENZA ATOM 1924 CB ASP 131 -16.141 -20.365 30.053 0.00 0.00 ENZA ATOM 1925 HB1 ASP 131 -15.990 -19.563 30.803 0.00 0.00 ENZA ATOM 1926 HB2 ASP 131 -16.564 -19.943 29.120 0.00 0.00 ENZA ATOM 1927 CG ASP 131 -17.205 -21.362 30.637 0.00 0.00 ENZA ATOM 1928 OD1 ASP 131 -17.685 -22.269 29.933 0.00 0.00 ENZA ATOM 1929 OD2 ASP 131 -17.344 -21.215 31.873 0.00 0.00 ENZA ATOM 1930 C ASP 131 -13.823 -20.163 28.982 0.00 0.00 ENZA ATOM 1931 O ASP 131 -13.871 -18.961 28.992 0.00 0.00 ENZA ATOM 1932 N ALA 132 -12.848 -20.757 28.271 0.00 0.00 ENZA ATOM 1933 HN ALA 132 -12.758 -21.751 28.283 0.00 0.00 ENZA ATOM 1934 CA ALA 132 -11.856 -19.997 27.537 0.00 0.00 ENZA ATOM 1935 HA ALA 132 -11.447 -19.252 28.208 0.00 0.00 ENZA ATOM 1936 CB ALA 132 -10.706 -20.915 27.086 0.00 0.00 ENZA ATOM 1937 HB1 ALA 132 -9.917 -20.338 26.560 0.00 0.00 ENZA ATOM 1938 HB2 ALA 132 -10.252 -21.397 27.978 0.00 0.00 ENZA ATOM 1939 HB3 ALA 132 -11.085 -21.708 26.405 0.00 0.00 ENZA ATOM 1940 C ALA 132 -12.442 -19.263 26.332 0.00 0.00 ENZA ATOM 1941 O ALA 132 -12.988 -19.871 25.407 0.00 0.00 ENZA ATOM 1942 N LYS 133 -12.369 -17.916 26.339 0.00 0.00 ENZA ATOM 1943 HN LYS 133 -12.004 -17.440 27.141 0.00 0.00 ENZA ATOM 1944 CA LYS 133 -12.925 -17.089 25.284 0.00 0.00 ENZA ATOM 1945 HA LYS 133 -13.637 -17.667 24.711 0.00 0.00 ENZA ATOM 1946 CB LYS 133 -13.680 -15.863 25.843 0.00 0.00 ENZA ATOM 1947 HB1 LYS 133 -12.959 -15.189 26.359 0.00 0.00 ENZA ATOM 1948 HB2 LYS 133 -14.132 -15.298 24.996 0.00 0.00 ENZA ATOM 1949 CG LYS 133 -14.797 -16.217 26.842 0.00 0.00 ENZA ATOM 1950 HG1 LYS 133 -14.340 -16.630 27.771 0.00 0.00 ENZA ATOM 1951 HG2 LYS 133 -15.292 -15.258 27.113 0.00 0.00 ENZA ATOM 1952 CD LYS 133 -15.842 -17.219 26.309 0.00 0.00 ENZA ATOM 1953 HD1 LYS 133 -16.246 -16.840 25.345 0.00 0.00 ENZA ATOM 1954 HD2 LYS 133 -15.332 -18.187 26.099 0.00 0.00 ENZA ATOM 1955 CE LYS 133 -16.994 -17.517 27.280 0.00 0.00 ENZA ATOM 1956 HE1 LYS 133 -17.680 -18.279 26.848 0.00 0.00 ENZA ATOM 1957 HE2 LYS 133 -16.596 -17.883 28.251 0.00 0.00 ENZA ATOM 1958 NZ LYS 133 -17.759 -16.291 27.525 0.00 0.00 ENZA ATOM 1959 HZ1 LYS 133 -18.021 -15.838 26.609 0.00 0.00 ENZA ATOM 1960 HZ2 LYS 133 -18.618 -16.420 28.112 0.00 0.00 ENZA ATOM 1961 HZ3 LYS 133 -17.143 -15.625 28.065 0.00 0.00 ENZA ATOM 1962 C LYS 133 -11.856 -16.650 24.304 0.00 0.00 ENZA ATOM 1963 O LYS 133 -11.159 -15.649 24.482 0.00 0.00 ENZA ATOM 1964 N PHE 134 -11.722 -17.426 23.217 0.00 0.00 ENZA ATOM 1965 HN PHE 134 -12.308 -18.226 23.125 0.00 0.00 ENZA ATOM 1966 CA PHE 134 -10.729 -17.260 22.179 0.00 0.00 ENZA ATOM 1967 HA PHE 134 -9.763 -17.144 22.648 0.00 0.00 ENZA ATOM 1968 CB PHE 134 -10.722 -18.495 21.224 0.00 0.00 ENZA ATOM 1969 HB1 PHE 134 -11.671 -18.525 20.643 0.00 0.00 ENZA ATOM 1970 HB2 PHE 134 -9.883 -18.420 20.500 0.00 0.00 ENZA ATOM 1971 CG PHE 134 -10.585 -19.823 21.917 0.00 0.00 ENZA ATOM 1972 CD1 PHE 134 -11.723 -20.537 22.334 0.00 0.00 ENZA ATOM 1973 HD1 PHE 134 -12.706 -20.106 22.210 0.00 0.00 ENZA ATOM 1974 CE1 PHE 134 -11.598 -21.815 22.893 0.00 0.00 ENZA ATOM 1975 HE1 PHE 134 -12.476 -22.356 23.216 0.00 0.00 ENZA ATOM 1976 CZ PHE 134 -10.333 -22.396 23.032 0.00 0.00 ENZA ATOM 1977 HZ PHE 134 -10.245 -23.383 23.460 0.00 0.00 ENZA ATOM 1978 CD2 PHE 134 -9.322 -20.424 22.053 0.00 0.00 ENZA ATOM 1979 HD2 PHE 134 -8.443 -19.905 21.704 0.00 0.00 ENZA ATOM 1980 CE2 PHE 134 -9.192 -21.703 22.610 0.00 0.00 ENZA ATOM 1981 HE2 PHE 134 -8.216 -22.156 22.700 0.00 0.00 ENZA ATOM 1982 C PHE 134 -10.940 -16.037 21.294 0.00 0.00 ENZA ATOM 1983 O PHE 134 -11.955 -15.338 21.335 0.00 0.00 ENZA ATOM 1984 N ASN 135 -9.957 -15.788 20.413 0.00 0.00 ENZA ATOM 1985 HN ASN 135 -9.087 -16.273 20.489 0.00 0.00 ENZA ATOM 1986 CA ASN 135 -10.177 -15.076 19.173 0.00 0.00 ENZA ATOM 1987 HA ASN 135 -11.112 -14.531 19.223 0.00 0.00 ENZA ATOM 1988 CB ASN 135 -9.048 -14.040 18.909 0.00 0.00 ENZA ATOM 1989 HB1 ASN 135 -9.208 -13.512 17.949 0.00 0.00 ENZA ATOM 1990 HB2 ASN 135 -9.095 -13.279 19.719 0.00 0.00 ENZA ATOM 1991 CG ASN 135 -7.650 -14.656 18.897 0.00 0.00 ENZA ATOM 1992 OD1 ASN 135 -7.412 -15.749 18.375 0.00 0.00 ENZA ATOM 1993 ND2 ASN 135 -6.674 -13.925 19.474 0.00 0.00 ENZA ATOM 1994 HD21 ASN 135 -5.738 -14.273 19.438 0.00 0.00 ENZA ATOM 1995 HD22 ASN 135 -6.878 -13.065 19.957 0.00 0.00 ENZA ATOM 1996 C ASN 135 -10.344 -16.103 18.049 0.00 0.00 ENZA ATOM 1997 O ASN 135 -10.294 -17.314 18.271 0.00 0.00 ENZA ATOM 1998 N SER 136 -10.529 -15.652 16.797 0.00 0.00 ENZA ATOM 1999 HN SER 136 -10.590 -14.673 16.590 0.00 0.00 ENZA ATOM 2000 CA SER 136 -10.645 -16.547 15.649 0.00 0.00 ENZA ATOM 2001 HA SER 136 -10.840 -17.559 15.972 0.00 0.00 ENZA ATOM 2002 CB SER 136 -11.791 -16.122 14.698 0.00 0.00 ENZA ATOM 2003 HB1 SER 136 -11.606 -15.090 14.322 0.00 0.00 ENZA ATOM 2004 HB2 SER 136 -11.847 -16.813 13.826 0.00 0.00 ENZA ATOM 2005 OG SER 136 -13.042 -16.156 15.388 0.00 0.00 ENZA ATOM 2006 HG1 SER 136 -13.708 -15.759 14.783 0.00 0.00 ENZA ATOM 2007 C SER 136 -9.346 -16.558 14.867 0.00 0.00 ENZA ATOM 2008 O SER 136 -9.302 -16.892 13.681 0.00 0.00 ENZA ATOM 2009 N GLY 137 -8.231 -16.169 15.521 0.00 0.00 ENZA ATOM 2010 HN GLY 137 -8.275 -15.983 16.505 0.00 0.00 ENZA ATOM 2011 CA GLY 137 -6.946 -15.928 14.880 0.00 0.00 ENZA ATOM 2012 HA1 GLY 137 -6.769 -16.688 14.133 0.00 0.00 ENZA ATOM 2013 HA2 GLY 137 -6.196 -15.921 15.658 0.00 0.00 ENZA ATOM 2014 C GLY 137 -6.903 -14.583 14.201 0.00 0.00 ENZA ATOM 2015 O GLY 137 -7.933 -13.987 13.882 0.00 0.00 ENZA ATOM 2016 N ALA 139 -4.116 -11.823 11.508 0.00 0.00 ENZA ATOM 2017 HN ALA 139 -4.781 -11.073 11.472 0.00 0.00 ENZA ATOM 2018 CA ALA 139 -2.929 -11.668 10.698 0.00 0.00 ENZA ATOM 2019 HA ALA 139 -2.696 -12.621 10.244 0.00 0.00 ENZA ATOM 2020 CB ALA 139 -3.184 -10.642 9.576 0.00 0.00 ENZA ATOM 2021 HB1 ALA 139 -3.416 -9.642 10.000 0.00 0.00 ENZA ATOM 2022 HB2 ALA 139 -2.299 -10.547 8.909 0.00 0.00 ENZA ATOM 2023 HB3 ALA 139 -4.048 -10.962 8.955 0.00 0.00 ENZA ATOM 2024 C ALA 139 -1.725 -11.248 11.542 0.00 0.00 ENZA ATOM 2025 O ALA 139 -1.875 -10.713 12.646 0.00 0.00 ENZA ATOM 2026 N GLY 140 -0.499 -11.502 11.038 0.00 0.00 ENZA ATOM 2027 HN GLY 140 -0.398 -11.956 10.144 0.00 0.00 ENZA ATOM 2028 CA GLY 140 0.739 -11.186 11.741 0.00 0.00 ENZA ATOM 2029 HA1 GLY 140 0.619 -10.245 12.255 0.00 0.00 ENZA ATOM 2030 HA2 GLY 140 1.521 -11.146 10.999 0.00 0.00 ENZA ATOM 2031 C GLY 140 1.165 -12.212 12.764 0.00 0.00 ENZA ATOM 2032 O GLY 140 0.436 -13.139 13.114 0.00 0.00 ENZA ATOM 2033 N ASN 141 2.386 -12.048 13.300 0.00 0.00 ENZA ATOM 2034 HN ASN 141 2.929 -11.230 13.057 0.00 0.00 ENZA ATOM 2035 CA ASN 141 2.947 -12.918 14.320 0.00 0.00 ENZA ATOM 2036 HA ASN 141 2.515 -13.909 14.243 0.00 0.00 ENZA ATOM 2037 CB ASN 141 4.492 -12.999 14.217 0.00 0.00 ENZA ATOM 2038 HB1 ASN 141 4.935 -11.990 14.359 0.00 0.00 ENZA ATOM 2039 HB2 ASN 141 4.898 -13.674 15.001 0.00 0.00 ENZA ATOM 2040 CG ASN 141 4.930 -13.565 12.873 0.00 0.00 ENZA ATOM 2041 OD1 ASN 141 4.903 -14.777 12.643 0.00 0.00 ENZA ATOM 2042 ND2 ASN 141 5.396 -12.677 11.964 0.00 0.00 ENZA ATOM 2043 HD21 ASN 141 5.761 -13.037 11.108 0.00 0.00 ENZA ATOM 2044 HD22 ASN 141 5.466 -11.714 12.214 0.00 0.00 ENZA ATOM 2045 C ASN 141 2.620 -12.363 15.698 0.00 0.00 ENZA ATOM 2046 O ASN 141 2.236 -11.199 15.831 0.00 0.00 ENZA ATOM 2047 N PHE 143 4.466 -12.623 19.794 0.00 0.00 ENZA ATOM 2048 HN PHE 143 4.418 -11.622 19.726 0.00 0.00 ENZA ATOM 2049 CA PHE 143 5.384 -13.170 20.781 0.00 0.00 ENZA ATOM 2050 HA PHE 143 5.421 -14.248 20.681 0.00 0.00 ENZA ATOM 2051 CB PHE 143 6.815 -12.594 20.607 0.00 0.00 ENZA ATOM 2052 HB1 PHE 143 7.083 -12.606 19.531 0.00 0.00 ENZA ATOM 2053 HB2 PHE 143 6.884 -11.548 20.973 0.00 0.00 ENZA ATOM 2054 CG PHE 143 7.831 -13.448 21.309 0.00 0.00 ENZA ATOM 2055 CD1 PHE 143 8.346 -14.580 20.660 0.00 0.00 ENZA ATOM 2056 HD1 PHE 143 8.020 -14.812 19.658 0.00 0.00 ENZA ATOM 2057 CE1 PHE 143 9.259 -15.419 21.308 0.00 0.00 ENZA ATOM 2058 HE1 PHE 143 9.653 -16.288 20.801 0.00 0.00 ENZA ATOM 2059 CZ PHE 143 9.673 -15.124 22.612 0.00 0.00 ENZA ATOM 2060 HZ PHE 143 10.391 -15.767 23.098 0.00 0.00 ENZA ATOM 2061 CD2 PHE 143 8.250 -13.160 22.618 0.00 0.00 ENZA ATOM 2062 HD2 PHE 143 7.847 -12.301 23.135 0.00 0.00 ENZA ATOM 2063 CE2 PHE 143 9.165 -13.997 23.271 0.00 0.00 ENZA ATOM 2064 HE2 PHE 143 9.466 -13.774 24.284 0.00 0.00 ENZA ATOM 2065 C PHE 143 4.856 -12.863 22.174 0.00 0.00 ENZA ATOM 2066 O PHE 143 4.369 -11.761 22.432 0.00 0.00 ENZA ATOM 2067 N LEU 144 4.922 -13.846 23.093 0.00 0.00 ENZA ATOM 2068 HN LEU 144 5.354 -14.723 22.862 0.00 0.00 ENZA ATOM 2069 CA LEU 144 4.353 -13.735 24.424 0.00 0.00 ENZA ATOM 2070 HA LEU 144 3.917 -12.756 24.558 0.00 0.00 ENZA ATOM 2071 CB LEU 144 3.279 -14.820 24.709 0.00 0.00 ENZA ATOM 2072 HB1 LEU 144 3.722 -15.822 24.524 0.00 0.00 ENZA ATOM 2073 HB2 LEU 144 3.007 -14.769 25.789 0.00 0.00 ENZA ATOM 2074 CG LEU 144 1.948 -14.717 23.928 0.00 0.00 ENZA ATOM 2075 HG LEU 144 1.260 -15.436 24.435 0.00 0.00 ENZA ATOM 2076 CD1 LEU 144 1.301 -13.329 24.035 0.00 0.00 ENZA ATOM 2077 HD11 LEU 144 0.273 -13.350 23.615 0.00 0.00 ENZA ATOM 2078 HD12 LEU 144 1.245 -13.000 25.094 0.00 0.00 ENZA ATOM 2079 HD13 LEU 144 1.890 -12.583 23.463 0.00 0.00 ENZA ATOM 2080 CD2 LEU 144 2.047 -15.165 22.462 0.00 0.00 ENZA ATOM 2081 HD21 LEU 144 2.619 -14.433 21.859 0.00 0.00 ENZA ATOM 2082 HD22 LEU 144 2.557 -16.148 22.389 0.00 0.00 ENZA ATOM 2083 HD23 LEU 144 1.034 -15.251 22.015 0.00 0.00 ENZA ATOM 2084 C LEU 144 5.417 -13.890 25.497 0.00 0.00 ENZA ATOM 2085 O LEU 144 6.305 -14.737 25.401 0.00 0.00 ENZA ATOM 2086 N PHE 145 5.308 -13.086 26.576 0.00 0.00 ENZA ATOM 2087 HN PHE 145 4.607 -12.369 26.583 0.00 0.00 ENZA ATOM 2088 CA PHE 145 6.130 -13.203 27.769 0.00 0.00 ENZA ATOM 2089 HA PHE 145 6.599 -14.179 27.792 0.00 0.00 ENZA ATOM 2090 CB PHE 145 7.220 -12.091 27.777 0.00 0.00 ENZA ATOM 2091 HB1 PHE 145 7.861 -12.204 26.875 0.00 0.00 ENZA ATOM 2092 HB2 PHE 145 6.745 -11.089 27.735 0.00 0.00 ENZA ATOM 2093 CG PHE 145 8.116 -12.153 28.988 0.00 0.00 ENZA ATOM 2094 CD1 PHE 145 9.134 -13.114 29.066 0.00 0.00 ENZA ATOM 2095 HD1 PHE 145 9.284 -13.793 28.241 0.00 0.00 ENZA ATOM 2096 CE1 PHE 145 9.953 -13.197 30.200 0.00 0.00 ENZA ATOM 2097 HE1 PHE 145 10.733 -13.943 30.245 0.00 0.00 ENZA ATOM 2098 CZ PHE 145 9.755 -12.315 31.271 0.00 0.00 ENZA ATOM 2099 HZ PHE 145 10.377 -12.379 32.152 0.00 0.00 ENZA ATOM 2100 CD2 PHE 145 7.930 -11.269 30.064 0.00 0.00 ENZA ATOM 2101 HD2 PHE 145 7.140 -10.534 30.021 0.00 0.00 ENZA ATOM 2102 CE2 PHE 145 8.744 -11.348 31.201 0.00 0.00 ENZA ATOM 2103 HE2 PHE 145 8.586 -10.670 32.028 0.00 0.00 ENZA ATOM 2104 C PHE 145 5.238 -13.097 29.006 0.00 0.00 ENZA ATOM 2105 O PHE 145 4.432 -12.174 29.133 0.00 0.00 ENZA ATOM 2106 N VAL 146 5.360 -14.035 29.971 0.00 0.00 ENZA ATOM 2107 HN VAL 146 5.968 -14.820 29.838 0.00 0.00 ENZA ATOM 2108 CA VAL 146 4.624 -13.965 31.232 0.00 0.00 ENZA ATOM 2109 HA VAL 146 3.640 -13.567 31.030 0.00 0.00 ENZA ATOM 2110 CB VAL 146 4.422 -15.327 31.886 0.00 0.00 ENZA ATOM 2111 HB VAL 146 5.409 -15.782 32.126 0.00 0.00 ENZA ATOM 2112 CG1 VAL 146 3.591 -15.198 33.182 0.00 0.00 ENZA ATOM 2113 HG11 VAL 146 2.627 -14.685 32.981 0.00 0.00 ENZA ATOM 2114 HG12 VAL 146 3.365 -16.208 33.590 0.00 0.00 ENZA ATOM 2115 HG13 VAL 146 4.131 -14.633 33.969 0.00 0.00 ENZA ATOM 2116 CG2 VAL 146 3.695 -16.254 30.898 0.00 0.00 ENZA ATOM 2117 HG21 VAL 146 2.749 -15.793 30.547 0.00 0.00 ENZA ATOM 2118 HG22 VAL 146 4.328 -16.486 30.016 0.00 0.00 ENZA ATOM 2119 HG23 VAL 146 3.449 -17.208 31.411 0.00 0.00 ENZA ATOM 2120 C VAL 146 5.295 -13.025 32.225 0.00 0.00 ENZA ATOM 2121 O VAL 146 6.408 -13.259 32.702 0.00 0.00 ENZA ATOM 2122 N LEU 147 4.611 -11.919 32.582 0.00 0.00 ENZA ATOM 2123 HN LEU 147 3.676 -11.773 32.261 0.00 0.00 ENZA ATOM 2124 CA LEU 147 5.165 -10.881 33.425 0.00 0.00 ENZA ATOM 2125 HA LEU 147 6.229 -10.829 33.239 0.00 0.00 ENZA ATOM 2126 CB LEU 147 4.542 -9.510 33.063 0.00 0.00 ENZA ATOM 2127 HB1 LEU 147 4.656 -9.373 31.965 0.00 0.00 ENZA ATOM 2128 HB2 LEU 147 3.454 -9.526 33.275 0.00 0.00 ENZA ATOM 2129 CG LEU 147 5.177 -8.285 33.754 0.00 0.00 ENZA ATOM 2130 HG LEU 147 5.073 -8.403 34.857 0.00 0.00 ENZA ATOM 2131 CD1 LEU 147 6.676 -8.153 33.442 0.00 0.00 ENZA ATOM 2132 HD11 LEU 147 7.072 -7.202 33.859 0.00 0.00 ENZA ATOM 2133 HD12 LEU 147 7.251 -8.987 33.896 0.00 0.00 ENZA ATOM 2134 HD13 LEU 147 6.854 -8.153 32.347 0.00 0.00 ENZA ATOM 2135 CD2 LEU 147 4.437 -7.001 33.350 0.00 0.00 ENZA ATOM 2136 HD21 LEU 147 4.867 -6.124 33.881 0.00 0.00 ENZA ATOM 2137 HD22 LEU 147 4.534 -6.826 32.257 0.00 0.00 ENZA ATOM 2138 HD23 LEU 147 3.359 -7.071 33.601 0.00 0.00 ENZA ATOM 2139 C LEU 147 4.995 -11.204 34.902 0.00 0.00 ENZA ATOM 2140 O LEU 147 5.972 -11.409 35.617 0.00 0.00 ENZA ATOM 2141 N GLU 148 3.752 -11.283 35.413 0.00 0.00 ENZA ATOM 2142 HN GLU 148 2.952 -11.209 34.818 0.00 0.00 ENZA ATOM 2143 CA GLU 148 3.517 -11.686 36.790 0.00 0.00 ENZA ATOM 2144 HA GLU 148 4.397 -12.173 37.189 0.00 0.00 ENZA ATOM 2145 CB GLU 148 3.112 -10.517 37.729 0.00 0.00 ENZA ATOM 2146 HB1 GLU 148 2.109 -10.140 37.424 0.00 0.00 ENZA ATOM 2147 HB2 GLU 148 3.021 -10.902 38.771 0.00 0.00 ENZA ATOM 2148 CG GLU 148 4.079 -9.305 37.740 0.00 0.00 ENZA ATOM 2149 HG1 GLU 148 4.087 -8.850 36.729 0.00 0.00 ENZA ATOM 2150 HG2 GLU 148 3.703 -8.545 38.458 0.00 0.00 ENZA ATOM 2151 CD GLU 148 5.522 -9.633 38.139 0.00 0.00 ENZA ATOM 2152 OE1 GLU 148 5.900 -10.510 38.894 0.00 0.00 ENZA ATOM 2153 OE2 GLU 148 6.403 -8.754 37.575 0.00 0.00 ENZA ATOM 2154 HE2 GLU 148 7.304 -8.939 37.885 0.00 0.00 ENZA ATOM 2155 C GLU 148 2.416 -12.720 36.807 0.00 0.00 ENZA ATOM 2156 O GLU 148 1.523 -12.700 35.962 0.00 0.00 ENZA ATOM 2157 N GLY 149 2.450 -13.652 37.779 0.00 0.00 ENZA ATOM 2158 HN GLY 149 3.187 -13.654 38.457 0.00 0.00 ENZA ATOM 2159 CA GLY 149 1.450 -14.708 37.886 0.00 0.00 ENZA ATOM 2160 HA1 GLY 149 0.489 -14.332 37.563 0.00 0.00 ENZA ATOM 2161 HA2 GLY 149 1.437 -15.034 38.915 0.00 0.00 ENZA ATOM 2162 C GLY 149 1.774 -15.919 37.048 0.00 0.00 ENZA ATOM 2163 O GLY 149 2.890 -16.087 36.560 0.00 0.00 ENZA ATOM 2164 N GLU 150 0.788 -16.814 36.886 0.00 0.00 ENZA ATOM 2165 HN GLU 150 -0.115 -16.622 37.271 0.00 0.00 ENZA ATOM 2166 CA GLU 150 0.955 -18.094 36.218 0.00 0.00 ENZA ATOM 2167 HA GLU 150 1.895 -18.110 35.682 0.00 0.00 ENZA ATOM 2168 CB GLU 150 0.975 -19.204 37.305 0.00 0.00 ENZA ATOM 2169 HB1 GLU 150 1.688 -18.845 38.087 0.00 0.00 ENZA ATOM 2170 HB2 GLU 150 -0.023 -19.278 37.783 0.00 0.00 ENZA ATOM 2171 CG GLU 150 1.449 -20.609 36.862 0.00 0.00 ENZA ATOM 2172 HG1 GLU 150 0.645 -21.138 36.312 0.00 0.00 ENZA ATOM 2173 HG2 GLU 150 2.329 -20.514 36.194 0.00 0.00 ENZA ATOM 2174 CD GLU 150 1.865 -21.454 38.060 0.00 0.00 ENZA ATOM 2175 OE1 GLU 150 1.026 -21.679 38.973 0.00 0.00 ENZA ATOM 2176 OE2 GLU 150 3.035 -21.915 38.115 0.00 0.00 ENZA ATOM 2177 C GLU 150 -0.160 -18.248 35.186 0.00 0.00 ENZA ATOM 2178 O GLU 150 -1.329 -17.982 35.476 0.00 0.00 ENZA ATOM 2179 N ILE 151 0.178 -18.607 33.926 0.00 0.00 ENZA ATOM 2180 HN ILE 151 1.104 -18.928 33.710 0.00 0.00 ENZA ATOM 2181 CA ILE 151 -0.709 -18.450 32.773 0.00 0.00 ENZA ATOM 2182 HA ILE 151 -1.641 -18.003 33.087 0.00 0.00 ENZA ATOM 2183 CB ILE 151 -0.070 -17.525 31.723 0.00 0.00 ENZA ATOM 2184 HB ILE 151 0.977 -17.878 31.571 0.00 0.00 ENZA ATOM 2185 CG2 ILE 151 -0.780 -17.573 30.347 0.00 0.00 ENZA ATOM 2186 HG21 ILE 151 -0.658 -18.564 29.862 0.00 0.00 ENZA ATOM 2187 HG22 ILE 151 -1.866 -17.364 30.454 0.00 0.00 ENZA ATOM 2188 HG23 ILE 151 -0.342 -16.809 29.670 0.00 0.00 ENZA ATOM 2189 CG1 ILE 151 0.028 -16.062 32.230 0.00 0.00 ENZA ATOM 2190 HG11 ILE 151 0.546 -16.047 33.215 0.00 0.00 ENZA ATOM 2191 HG12 ILE 151 0.671 -15.497 31.519 0.00 0.00 ENZA ATOM 2192 CD ILE 151 -1.312 -15.325 32.351 0.00 0.00 ENZA ATOM 2193 HD1 ILE 151 -1.138 -14.273 32.663 0.00 0.00 ENZA ATOM 2194 HD2 ILE 151 -1.852 -15.304 31.381 0.00 0.00 ENZA ATOM 2195 HD3 ILE 151 -1.966 -15.810 33.106 0.00 0.00 ENZA ATOM 2196 C ILE 151 -1.081 -19.794 32.155 0.00 0.00 ENZA ATOM 2197 O ILE 151 -0.253 -20.687 31.970 0.00 0.00 ENZA ATOM 2198 N HSE 152 -2.371 -19.955 31.790 0.00 0.00 ENZA ATOM 2199 HN HSE 152 -3.018 -19.195 31.903 0.00 0.00 ENZA ATOM 2200 CA HSE 152 -2.889 -21.119 31.092 0.00 0.00 ENZA ATOM 2201 HA HSE 152 -2.151 -21.910 31.093 0.00 0.00 ENZA ATOM 2202 CB HSE 152 -4.174 -21.627 31.793 0.00 0.00 ENZA ATOM 2203 HB1 HSE 152 -3.965 -21.637 32.885 0.00 0.00 ENZA ATOM 2204 HB2 HSE 152 -5.010 -20.919 31.628 0.00 0.00 ENZA ATOM 2205 ND1 HSE 152 -4.941 -23.901 32.440 0.00 0.00 ENZA ATOM 2206 CG HSE 152 -4.635 -23.009 31.424 0.00 0.00 ENZA ATOM 2207 CE1 HSE 152 -5.398 -24.977 31.821 0.00 0.00 ENZA ATOM 2208 HE1 HSE 152 -5.750 -25.890 32.308 0.00 0.00 ENZA ATOM 2209 NE2 HSE 152 -5.402 -24.822 30.475 0.00 0.00 ENZA ATOM 2210 HE2 HSE 152 -5.690 -25.521 29.797 0.00 0.00 ENZA ATOM 2211 CD2 HSE 152 -4.918 -23.560 30.212 0.00 0.00 ENZA ATOM 2212 HD2 HSE 152 -4.830 -23.149 29.218 0.00 0.00 ENZA ATOM 2213 C HSE 152 -3.176 -20.733 29.647 0.00 0.00 ENZA ATOM 2214 O HSE 152 -3.828 -19.725 29.375 0.00 0.00 ENZA ATOM 2215 N MET 153 -2.663 -21.511 28.675 0.00 0.00 ENZA ATOM 2216 HN MET 153 -2.162 -22.351 28.903 0.00 0.00 ENZA ATOM 2217 CA MET 153 -2.760 -21.211 27.254 0.00 0.00 ENZA ATOM 2218 HA MET 153 -3.253 -20.261 27.092 0.00 0.00 ENZA ATOM 2219 CB MET 153 -1.322 -21.155 26.669 0.00 0.00 ENZA ATOM 2220 HB1 MET 153 -0.835 -20.233 27.055 0.00 0.00 ENZA ATOM 2221 HB2 MET 153 -0.753 -22.021 27.080 0.00 0.00 ENZA ATOM 2222 CG MET 153 -1.168 -21.193 25.132 0.00 0.00 ENZA ATOM 2223 HG1 MET 153 -0.081 -21.114 24.905 0.00 0.00 ENZA ATOM 2224 HG2 MET 153 -1.486 -22.196 24.776 0.00 0.00 ENZA ATOM 2225 SD MET 153 -2.071 -19.911 24.210 0.00 0.00 ENZA ATOM 2226 CE MET 153 -1.250 -20.250 22.626 0.00 0.00 ENZA ATOM 2227 HE1 MET 153 -0.157 -20.064 22.686 0.00 0.00 ENZA ATOM 2228 HE2 MET 153 -1.387 -21.309 22.322 0.00 0.00 ENZA ATOM 2229 HE3 MET 153 -1.658 -19.606 21.819 0.00 0.00 ENZA ATOM 2230 C MET 153 -3.585 -22.276 26.549 0.00 0.00 ENZA ATOM 2231 O MET 153 -3.389 -23.469 26.773 0.00 0.00 ENZA ATOM 2232 N LYS 154 -4.535 -21.875 25.673 0.00 0.00 ENZA ATOM 2233 HN LYS 154 -4.716 -20.896 25.535 0.00 0.00 ENZA ATOM 2234 CA LYS 154 -5.274 -22.800 24.827 0.00 0.00 ENZA ATOM 2235 HA LYS 154 -4.801 -23.770 24.860 0.00 0.00 ENZA ATOM 2236 CB LYS 154 -6.757 -22.952 25.251 0.00 0.00 ENZA ATOM 2237 HB1 LYS 154 -7.293 -21.990 25.087 0.00 0.00 ENZA ATOM 2238 HB2 LYS 154 -7.226 -23.721 24.597 0.00 0.00 ENZA ATOM 2239 CG LYS 154 -6.973 -23.376 26.712 0.00 0.00 ENZA ATOM 2240 HG1 LYS 154 -6.252 -24.182 26.982 0.00 0.00 ENZA ATOM 2241 HG2 LYS 154 -6.764 -22.505 27.374 0.00 0.00 ENZA ATOM 2242 CD LYS 154 -8.407 -23.887 26.937 0.00 0.00 ENZA ATOM 2243 HD1 LYS 154 -9.116 -23.186 26.443 0.00 0.00 ENZA ATOM 2244 HD2 LYS 154 -8.498 -24.876 26.434 0.00 0.00 ENZA ATOM 2245 CE LYS 154 -8.796 -24.039 28.409 0.00 0.00 ENZA ATOM 2246 HE1 LYS 154 -8.083 -24.713 28.933 0.00 0.00 ENZA ATOM 2247 HE2 LYS 154 -8.804 -23.051 28.918 0.00 0.00 ENZA ATOM 2248 NZ LYS 154 -10.140 -24.632 28.510 0.00 0.00 ENZA ATOM 2249 HZ1 LYS 154 -10.414 -24.737 29.517 0.00 0.00 ENZA ATOM 2250 HZ2 LYS 154 -10.884 -24.118 27.989 0.00 0.00 ENZA ATOM 2251 HZ3 LYS 154 -10.097 -25.617 28.139 0.00 0.00 ENZA ATOM 2252 C LYS 154 -5.259 -22.337 23.372 0.00 0.00 ENZA ATOM 2253 O LYS 154 -5.390 -21.145 23.092 0.00 0.00 ENZA ATOM 2254 N TRP 155 -5.118 -23.260 22.393 0.00 0.00 ENZA ATOM 2255 HN TRP 155 -4.973 -24.230 22.619 0.00 0.00 ENZA ATOM 2256 CA TRP 155 -5.104 -22.881 20.985 0.00 0.00 ENZA ATOM 2257 HA TRP 155 -5.758 -22.028 20.870 0.00 0.00 ENZA ATOM 2258 CB TRP 155 -3.677 -22.452 20.517 0.00 0.00 ENZA ATOM 2259 HB1 TRP 155 -3.770 -21.876 19.573 0.00 0.00 ENZA ATOM 2260 HB2 TRP 155 -3.273 -21.757 21.282 0.00 0.00 ENZA ATOM 2261 CG TRP 155 -2.645 -23.548 20.267 0.00 0.00 ENZA ATOM 2262 CD1 TRP 155 -2.283 -24.112 19.073 0.00 0.00 ENZA ATOM 2263 HD1 TRP 155 -2.742 -23.882 18.121 0.00 0.00 ENZA ATOM 2264 NE1 TRP 155 -1.252 -25.006 19.262 0.00 0.00 ENZA ATOM 2265 HE1 TRP 155 -0.818 -25.547 18.569 0.00 0.00 ENZA ATOM 2266 CE2 TRP 155 -0.958 -25.062 20.603 0.00 0.00 ENZA ATOM 2267 CD2 TRP 155 -1.823 -24.168 21.272 0.00 0.00 ENZA ATOM 2268 CE3 TRP 155 -1.772 -24.020 22.652 0.00 0.00 ENZA ATOM 2269 HE3 TRP 155 -2.437 -23.355 23.179 0.00 0.00 ENZA ATOM 2270 CZ3 TRP 155 -0.837 -24.784 23.361 0.00 0.00 ENZA ATOM 2271 HZ3 TRP 155 -0.788 -24.688 24.434 0.00 0.00 ENZA ATOM 2272 CZ2 TRP 155 -0.026 -25.815 21.305 0.00 0.00 ENZA ATOM 2273 HZ2 TRP 155 0.633 -26.507 20.805 0.00 0.00 ENZA ATOM 2274 CH2 TRP 155 0.026 -25.671 22.700 0.00 0.00 ENZA ATOM 2275 HH2 TRP 155 0.734 -26.258 23.269 0.00 0.00 ENZA ATOM 2276 C TRP 155 -5.662 -23.933 20.030 0.00 0.00 ENZA ATOM 2277 O TRP 155 -5.855 -25.099 20.368 0.00 0.00 ENZA ATOM 2278 N GLY 156 -5.917 -23.533 18.766 0.00 0.00 ENZA ATOM 2279 HN GLY 156 -5.822 -22.560 18.540 0.00 0.00 ENZA ATOM 2280 CA GLY 156 -6.188 -24.470 17.677 0.00 0.00 ENZA ATOM 2281 HA1 GLY 156 -5.706 -25.416 17.887 0.00 0.00 ENZA ATOM 2282 HA2 GLY 156 -5.802 -24.020 16.775 0.00 0.00 ENZA ATOM 2283 C GLY 156 -7.649 -24.745 17.428 0.00 0.00 ENZA ATOM 2284 O GLY 156 -8.312 -24.023 16.680 0.00 0.00 ENZA ATOM 2285 N ASP 157 -8.179 -25.832 18.021 0.00 0.00 ENZA ATOM 2286 HN ASP 157 -7.608 -26.388 18.617 0.00 0.00 ENZA ATOM 2287 CA ASP 157 -9.554 -26.269 17.847 0.00 0.00 ENZA ATOM 2288 HA ASP 157 -9.858 -26.035 16.839 0.00 0.00 ENZA ATOM 2289 CB ASP 157 -9.681 -27.802 18.039 0.00 0.00 ENZA ATOM 2290 HB1 ASP 157 -9.290 -28.093 19.035 0.00 0.00 ENZA ATOM 2291 HB2 ASP 157 -10.740 -28.125 17.964 0.00 0.00 ENZA ATOM 2292 CG ASP 157 -8.910 -28.548 16.971 0.00 0.00 ENZA ATOM 2293 OD1 ASP 157 -9.270 -28.440 15.768 0.00 0.00 ENZA ATOM 2294 OD2 ASP 157 -7.952 -29.287 17.320 0.00 0.00 ENZA ATOM 2295 C ASP 157 -10.519 -25.522 18.778 0.00 0.00 ENZA ATOM 2296 O ASP 157 -10.110 -24.766 19.659 0.00 0.00 ENZA ATOM 2297 N LYS 158 -11.849 -25.686 18.580 0.00 0.00 ENZA ATOM 2298 HN LYS 158 -12.131 -26.239 17.798 0.00 0.00 ENZA ATOM 2299 CA LYS 158 -12.819 -24.968 19.354 0.00 0.00 ENZA ATOM 2300 HA LYS 158 -12.406 -24.018 19.665 0.00 0.00 ENZA ATOM 2301 CB LYS 158 -14.068 -24.636 18.513 0.00 0.00 ENZA ATOM 2302 HB1 LYS 158 -13.578 -24.115 17.659 0.00 0.00 ENZA ATOM 2303 HB2 LYS 158 -14.606 -25.508 18.079 0.00 0.00 ENZA ATOM 2304 CG LYS 158 -15.239 -23.939 19.177 0.00 0.00 ENZA ATOM 2305 HG1 LYS 158 -15.995 -23.678 18.401 0.00 0.00 ENZA ATOM 2306 HG2 LYS 158 -15.612 -24.696 19.904 0.00 0.00 ENZA ATOM 2307 CD LYS 158 -14.812 -22.728 20.012 0.00 0.00 ENZA ATOM 2308 HD1 LYS 158 -14.186 -22.986 20.897 0.00 0.00 ENZA ATOM 2309 HD2 LYS 158 -14.101 -22.134 19.393 0.00 0.00 ENZA ATOM 2310 CE LYS 158 -15.973 -21.778 20.400 0.00 0.00 ENZA ATOM 2311 HE1 LYS 158 -15.511 -20.921 20.939 0.00 0.00 ENZA ATOM 2312 HE2 LYS 158 -16.456 -21.297 19.523 0.00 0.00 ENZA ATOM 2313 NZ LYS 158 -16.897 -22.414 21.278 0.00 0.00 ENZA ATOM 2314 HZ1 LYS 158 -17.595 -21.792 21.733 0.00 0.00 ENZA ATOM 2315 HZ2 LYS 158 -17.433 -23.120 20.733 0.00 0.00 ENZA ATOM 2316 HZ3 LYS 158 -16.369 -22.944 21.999 0.00 0.00 ENZA ATOM 2317 C LYS 158 -13.186 -25.764 20.569 0.00 0.00 ENZA ATOM 2318 O LYS 158 -13.329 -25.245 21.670 0.00 0.00 ENZA ATOM 2319 N GLU 159 -13.549 -27.100 20.416 0.00 0.00 ENZA ATOM 2320 HN GLU 159 -13.574 -27.593 19.549 0.00 0.00 ENZA ATOM 2321 CA GLU 159 -14.086 -27.824 21.529 0.00 0.00 ENZA ATOM 2322 HA GLU 159 -14.585 -27.072 22.129 0.00 0.00 ENZA ATOM 2323 CB GLU 159 -15.026 -28.909 20.973 0.00 0.00 ENZA ATOM 2324 HB1 GLU 159 -15.916 -28.491 20.450 0.00 0.00 ENZA ATOM 2325 HB2 GLU 159 -14.468 -29.591 20.293 0.00 0.00 ENZA ATOM 2326 CG GLU 159 -15.709 -29.824 22.045 0.00 0.00 ENZA ATOM 2327 HG1 GLU 159 -14.949 -30.344 22.653 0.00 0.00 ENZA ATOM 2328 HG2 GLU 159 -16.330 -29.163 22.683 0.00 0.00 ENZA ATOM 2329 CD GLU 159 -16.624 -30.890 21.479 0.00 0.00 ENZA ATOM 2330 OE1 GLU 159 -17.482 -30.809 20.578 0.00 0.00 ENZA ATOM 2331 OE2 GLU 159 -16.395 -32.175 21.979 0.00 0.00 ENZA ATOM 2332 HE2 GLU 159 -17.110 -32.777 21.762 0.00 0.00 ENZA ATOM 2333 C GLU 159 -13.028 -28.376 22.419 0.00 0.00 ENZA ATOM 2334 O GLU 159 -12.995 -28.123 23.612 0.00 0.00 ENZA ATOM 2335 N ASN 160 -12.088 -29.083 21.786 0.00 0.00 ENZA ATOM 2336 HN ASN 160 -12.194 -29.200 20.799 0.00 0.00 ENZA ATOM 2337 CA ASN 160 -10.969 -29.729 22.486 0.00 0.00 ENZA ATOM 2338 HA ASN 160 -11.012 -29.469 23.537 0.00 0.00 ENZA ATOM 2339 CB ASN 160 -10.961 -31.297 22.229 0.00 0.00 ENZA ATOM 2340 HB1 ASN 160 -10.805 -31.512 21.149 0.00 0.00 ENZA ATOM 2341 HB2 ASN 160 -10.257 -31.764 22.947 0.00 0.00 ENZA ATOM 2342 CG ASN 160 -12.277 -31.953 22.562 0.00 0.00 ENZA ATOM 2343 OD1 ASN 160 -12.920 -32.583 21.762 0.00 0.00 ENZA ATOM 2344 ND2 ASN 160 -12.708 -31.813 23.897 0.00 0.00 ENZA ATOM 2345 HD21 ASN 160 -13.536 -32.351 24.035 0.00 0.00 ENZA ATOM 2346 HD22 ASN 160 -12.079 -31.375 24.532 0.00 0.00 ENZA ATOM 2347 C ASN 160 -9.644 -29.106 21.976 0.00 0.00 ENZA ATOM 2348 O ASN 160 -9.054 -29.688 21.116 0.00 0.00 ENZA ATOM 2349 N PRO 161 -9.195 -27.948 22.443 0.00 0.00 ENZA ATOM 2350 CD PRO 161 -9.838 -27.157 23.498 0.00 0.00 ENZA ATOM 2351 HD1 PRO 161 -10.758 -26.683 23.086 0.00 0.00 ENZA ATOM 2352 HD2 PRO 161 -10.091 -27.774 24.390 0.00 0.00 ENZA ATOM 2353 CA PRO 161 -8.016 -27.288 21.899 0.00 0.00 ENZA ATOM 2354 HA PRO 161 -8.043 -27.295 20.819 0.00 0.00 ENZA ATOM 2355 CB PRO 161 -8.117 -25.875 22.504 0.00 0.00 ENZA ATOM 2356 HB1 PRO 161 -8.770 -25.253 21.851 0.00 0.00 ENZA ATOM 2357 HB2 PRO 161 -7.136 -25.369 22.609 0.00 0.00 ENZA ATOM 2358 CG PRO 161 -8.808 -26.094 23.847 0.00 0.00 ENZA ATOM 2359 HG1 PRO 161 -9.270 -25.175 24.257 0.00 0.00 ENZA ATOM 2360 HG2 PRO 161 -8.081 -26.502 24.585 0.00 0.00 ENZA ATOM 2361 C PRO 161 -6.735 -27.969 22.338 0.00 0.00 ENZA ATOM 2362 O PRO 161 -6.756 -28.881 23.170 0.00 0.00 ENZA ATOM 2363 N LYS 162 -5.592 -27.501 21.813 0.00 0.00 ENZA ATOM 2364 HN LYS 162 -5.615 -26.753 21.144 0.00 0.00 ENZA ATOM 2365 CA LYS 162 -4.291 -27.804 22.362 0.00 0.00 ENZA ATOM 2366 HA LYS 162 -4.276 -28.824 22.721 0.00 0.00 ENZA ATOM 2367 CB LYS 162 -3.159 -27.590 21.332 0.00 0.00 ENZA ATOM 2368 HB1 LYS 162 -3.238 -26.558 20.922 0.00 0.00 ENZA ATOM 2369 HB2 LYS 162 -2.171 -27.677 21.839 0.00 0.00 ENZA ATOM 2370 CG LYS 162 -3.171 -28.587 20.163 0.00 0.00 ENZA ATOM 2371 HG1 LYS 162 -4.143 -28.514 19.625 0.00 0.00 ENZA ATOM 2372 HG2 LYS 162 -2.370 -28.288 19.448 0.00 0.00 ENZA ATOM 2373 CD LYS 162 -2.918 -30.035 20.619 0.00 0.00 ENZA ATOM 2374 HD1 LYS 162 -2.009 -30.046 21.265 0.00 0.00 ENZA ATOM 2375 HD2 LYS 162 -3.770 -30.386 21.243 0.00 0.00 ENZA ATOM 2376 CE LYS 162 -2.688 -31.041 19.488 0.00 0.00 ENZA ATOM 2377 HE1 LYS 162 -1.782 -30.779 18.899 0.00 0.00 ENZA ATOM 2378 HE2 LYS 162 -2.560 -32.060 19.916 0.00 0.00 ENZA ATOM 2379 NZ LYS 162 -3.842 -31.057 18.581 0.00 0.00 ENZA ATOM 2380 HZ1 LYS 162 -3.912 -31.964 18.068 0.00 0.00 ENZA ATOM 2381 HZ2 LYS 162 -4.744 -30.898 19.091 0.00 0.00 ENZA ATOM 2382 HZ3 LYS 162 -3.759 -30.286 17.867 0.00 0.00 ENZA ATOM 2383 C LYS 162 -4.063 -26.907 23.560 0.00 0.00 ENZA ATOM 2384 O LYS 162 -4.598 -25.801 23.643 0.00 0.00 ENZA ATOM 2385 N GLU 163 -3.299 -27.400 24.541 0.00 0.00 ENZA ATOM 2386 HN GLU 163 -2.741 -28.202 24.344 0.00 0.00 ENZA ATOM 2387 CA GLU 163 -3.171 -26.738 25.855 0.00 0.00 ENZA ATOM 2388 HA GLU 163 -3.441 -25.691 25.826 0.00 0.00 ENZA ATOM 2389 CB GLU 163 -3.976 -27.415 26.906 0.00 0.00 ENZA ATOM 2390 HB1 GLU 163 -3.718 -28.496 26.834 0.00 0.00 ENZA ATOM 2391 HB2 GLU 163 -3.716 -27.062 27.930 0.00 0.00 ENZA ATOM 2392 CG GLU 163 -5.500 -27.275 26.603 0.00 0.00 ENZA ATOM 2393 HG1 GLU 163 -5.622 -26.276 26.145 0.00 0.00 ENZA ATOM 2394 HG2 GLU 163 -5.776 -28.014 25.825 0.00 0.00 ENZA ATOM 2395 CD GLU 163 -6.436 -27.478 27.735 0.00 0.00 ENZA ATOM 2396 OE1 GLU 163 -7.481 -28.200 27.612 0.00 0.00 ENZA ATOM 2397 OE2 GLU 163 -6.242 -26.905 28.849 0.00 0.00 ENZA ATOM 2398 C GLU 163 -1.770 -26.692 26.298 0.00 0.00 ENZA ATOM 2399 O GLU 163 -0.957 -27.543 26.028 0.00 0.00 ENZA ATOM 2400 N ALA 164 -1.446 -25.664 27.097 0.00 0.00 ENZA ATOM 2401 HN ALA 164 -2.132 -25.011 27.416 0.00 0.00 ENZA ATOM 2402 CA ALA 164 -0.054 -25.544 27.558 0.00 0.00 ENZA ATOM 2403 HA ALA 164 0.340 -26.511 27.848 0.00 0.00 ENZA ATOM 2404 CB ALA 164 0.976 -24.907 26.598 0.00 0.00 ENZA ATOM 2405 HB1 ALA 164 1.968 -24.828 27.093 0.00 0.00 ENZA ATOM 2406 HB2 ALA 164 1.195 -25.507 25.689 0.00 0.00 ENZA ATOM 2407 HB3 ALA 164 0.722 -23.837 26.444 0.00 0.00 ENZA ATOM 2408 C ALA 164 -0.095 -24.779 28.899 0.00 0.00 ENZA ATOM 2409 O ALA 164 -1.045 -24.028 29.166 0.00 0.00 ENZA ATOM 2410 N LEU 165 0.975 -24.872 29.725 0.00 0.00 ENZA ATOM 2411 HN LEU 165 1.786 -25.410 29.504 0.00 0.00 ENZA ATOM 2412 CA LEU 165 1.151 -24.153 30.921 0.00 0.00 ENZA ATOM 2413 HA LEU 165 0.353 -23.435 31.060 0.00 0.00 ENZA ATOM 2414 CB LEU 165 1.107 -25.102 32.171 0.00 0.00 ENZA ATOM 2415 HB1 LEU 165 1.797 -25.938 31.913 0.00 0.00 ENZA ATOM 2416 HB2 LEU 165 1.522 -24.571 33.056 0.00 0.00 ENZA ATOM 2417 CG LEU 165 -0.287 -25.507 32.766 0.00 0.00 ENZA ATOM 2418 HG LEU 165 -0.902 -26.076 32.027 0.00 0.00 ENZA ATOM 2419 CD1 LEU 165 -0.071 -26.370 34.000 0.00 0.00 ENZA ATOM 2420 HD11 LEU 165 -1.019 -26.489 34.568 0.00 0.00 ENZA ATOM 2421 HD12 LEU 165 0.436 -27.312 33.696 0.00 0.00 ENZA ATOM 2422 HD13 LEU 165 0.523 -25.784 34.733 0.00 0.00 ENZA ATOM 2423 CD2 LEU 165 -1.095 -24.260 33.209 0.00 0.00 ENZA ATOM 2424 HD21 LEU 165 -0.443 -23.717 33.926 0.00 0.00 ENZA ATOM 2425 HD22 LEU 165 -1.202 -23.521 32.389 0.00 0.00 ENZA ATOM 2426 HD23 LEU 165 -2.085 -24.585 33.598 0.00 0.00 ENZA ATOM 2427 C LEU 165 2.425 -23.367 30.894 0.00 0.00 ENZA ATOM 2428 O LEU 165 3.491 -23.858 30.646 0.00 0.00 ENZA ATOM 2429 N LEU 166 2.223 -22.025 31.107 0.00 0.00 ENZA ATOM 2430 HN LEU 166 1.352 -21.575 31.294 0.00 0.00 ENZA ATOM 2431 CA LEU 166 3.321 -21.047 31.052 0.00 0.00 ENZA ATOM 2432 HA LEU 166 4.219 -21.413 30.570 0.00 0.00 ENZA ATOM 2433 CB LEU 166 2.815 -19.866 30.210 0.00 0.00 ENZA ATOM 2434 HB1 LEU 166 1.812 -19.546 30.576 0.00 0.00 ENZA ATOM 2435 HB2 LEU 166 3.511 -19.016 30.381 0.00 0.00 ENZA ATOM 2436 CG LEU 166 2.771 -20.192 28.741 0.00 0.00 ENZA ATOM 2437 HG LEU 166 2.235 -21.156 28.559 0.00 0.00 ENZA ATOM 2438 CD1 LEU 166 2.009 -19.041 28.064 0.00 0.00 ENZA ATOM 2439 HD11 LEU 166 0.909 -19.171 28.148 0.00 0.00 ENZA ATOM 2440 HD12 LEU 166 2.211 -18.026 28.470 0.00 0.00 ENZA ATOM 2441 HD13 LEU 166 2.299 -18.952 26.997 0.00 0.00 ENZA ATOM 2442 CD2 LEU 166 4.153 -20.116 28.062 0.00 0.00 ENZA ATOM 2443 HD21 LEU 166 4.712 -19.154 28.064 0.00 0.00 ENZA ATOM 2444 HD22 LEU 166 4.833 -20.857 28.526 0.00 0.00 ENZA ATOM 2445 HD23 LEU 166 4.016 -20.419 27.003 0.00 0.00 ENZA ATOM 2446 C LEU 166 3.587 -20.553 32.462 0.00 0.00 ENZA ATOM 2447 O LEU 166 2.739 -19.799 32.984 0.00 0.00 ENZA ATOM 2448 N PRO 167 4.679 -20.959 33.110 0.00 0.00 ENZA ATOM 2449 CD PRO 167 5.626 -22.034 32.646 0.00 0.00 ENZA ATOM 2450 HD1 PRO 167 4.976 -22.938 32.613 0.00 0.00 ENZA ATOM 2451 HD2 PRO 167 6.088 -21.714 31.684 0.00 0.00 ENZA ATOM 2452 CA PRO 167 4.988 -20.406 34.435 0.00 0.00 ENZA ATOM 2453 HA PRO 167 4.153 -20.385 35.125 0.00 0.00 ENZA ATOM 2454 CB PRO 167 5.988 -21.452 34.925 0.00 0.00 ENZA ATOM 2455 HB1 PRO 167 5.339 -22.218 35.406 0.00 0.00 ENZA ATOM 2456 HB2 PRO 167 6.859 -21.095 35.510 0.00 0.00 ENZA ATOM 2457 CG PRO 167 6.678 -22.077 33.694 0.00 0.00 ENZA ATOM 2458 HG1 PRO 167 6.989 -23.096 34.000 0.00 0.00 ENZA ATOM 2459 HG2 PRO 167 7.621 -21.523 33.482 0.00 0.00 ENZA ATOM 2460 C PRO 167 5.593 -18.991 34.284 0.00 0.00 ENZA ATOM 2461 O PRO 167 5.911 -18.500 33.192 0.00 0.00 ENZA ATOM 2462 N THR 168 5.692 -18.278 35.438 0.00 0.00 ENZA ATOM 2463 HN THR 168 5.391 -18.696 36.296 0.00 0.00 ENZA ATOM 2464 CA THR 168 6.253 -16.920 35.533 0.00 0.00 ENZA ATOM 2465 HA THR 168 5.535 -16.338 34.969 0.00 0.00 ENZA ATOM 2466 CB THR 168 6.218 -16.346 36.949 0.00 0.00 ENZA ATOM 2467 HB THR 168 7.184 -16.535 37.476 0.00 0.00 ENZA ATOM 2468 OG1 THR 168 5.177 -16.897 37.797 0.00 0.00 ENZA ATOM 2469 HG1 THR 168 4.417 -16.570 37.304 0.00 0.00 ENZA ATOM 2470 CG2 THR 168 5.981 -14.788 36.788 0.00 0.00 ENZA ATOM 2471 HG21 THR 168 5.934 -14.370 37.814 0.00 0.00 ENZA ATOM 2472 HG22 THR 168 6.779 -14.326 36.168 0.00 0.00 ENZA ATOM 2473 HG23 THR 168 5.095 -14.411 36.233 0.00 0.00 ENZA ATOM 2474 C THR 168 7.681 -16.755 34.956 0.00 0.00 ENZA ATOM 2475 O THR 168 8.661 -17.130 35.623 0.00 0.00 ENZA ATOM 2476 N GLY 169 7.698 -16.204 33.749 0.00 0.00 ENZA ATOM 2477 HN GLY 169 6.807 -16.085 33.311 0.00 0.00 ENZA ATOM 2478 CA GLY 169 9.002 -15.854 33.063 0.00 0.00 ENZA ATOM 2479 HA1 GLY 169 9.746 -16.311 33.701 0.00 0.00 ENZA ATOM 2480 HA2 GLY 169 9.125 -14.783 32.980 0.00 0.00 ENZA ATOM 2481 C GLY 169 9.092 -16.548 31.711 0.00 0.00 ENZA ATOM 2482 O GLY 169 10.052 -16.496 30.957 0.00 0.00 ENZA ATOM 2483 N ALA 170 8.060 -17.332 31.327 0.00 0.00 ENZA ATOM 2484 HN ALA 170 7.247 -17.462 31.893 0.00 0.00 ENZA ATOM 2485 CA ALA 170 8.042 -18.145 30.174 0.00 0.00 ENZA ATOM 2486 HA ALA 170 9.074 -18.473 30.115 0.00 0.00 ENZA ATOM 2487 CB ALA 170 7.180 -19.374 30.520 0.00 0.00 ENZA ATOM 2488 HB1 ALA 170 6.115 -19.078 30.638 0.00 0.00 ENZA ATOM 2489 HB2 ALA 170 7.446 -20.176 29.798 0.00 0.00 ENZA ATOM 2490 HB3 ALA 170 7.510 -19.773 31.503 0.00 0.00 ENZA ATOM 2491 C ALA 170 7.678 -17.402 28.958 0.00 0.00 ENZA ATOM 2492 O ALA 170 6.758 -16.587 28.970 0.00 0.00 ENZA ATOM 2493 N SER 171 8.377 -17.673 27.862 0.00 0.00 ENZA ATOM 2494 HN SER 171 8.936 -18.483 28.036 0.00 0.00 ENZA ATOM 2495 CA SER 171 8.505 -17.024 26.566 0.00 0.00 ENZA ATOM 2496 HA SER 171 7.866 -16.150 26.566 0.00 0.00 ENZA ATOM 2497 CB SER 171 10.007 -16.535 26.259 0.00 0.00 ENZA ATOM 2498 HB1 SER 171 10.614 -17.469 26.235 0.00 0.00 ENZA ATOM 2499 HB2 SER 171 10.198 -16.120 25.244 0.00 0.00 ENZA ATOM 2500 OG SER 171 10.630 -15.852 27.403 0.00 0.00 ENZA ATOM 2501 HG1 SER 171 10.319 -16.260 28.221 0.00 0.00 ENZA ATOM 2502 C SER 171 8.155 -17.980 25.373 0.00 0.00 ENZA ATOM 2503 O SER 171 8.685 -19.120 25.258 0.00 0.00 ENZA ATOM 2504 N MET 172 7.264 -17.545 24.454 0.00 0.00 ENZA ATOM 2505 HN MET 172 6.851 -16.633 24.521 0.00 0.00 ENZA ATOM 2506 CA MET 172 6.876 -18.367 23.314 0.00 0.00 ENZA ATOM 2507 HA MET 172 7.745 -18.922 22.983 0.00 0.00 ENZA ATOM 2508 CB MET 172 5.757 -19.381 23.670 0.00 0.00 ENZA ATOM 2509 HB1 MET 172 5.615 -20.080 22.815 0.00 0.00 ENZA ATOM 2510 HB2 MET 172 6.096 -19.994 24.534 0.00 0.00 ENZA ATOM 2511 CG MET 172 4.401 -18.742 24.016 0.00 0.00 ENZA ATOM 2512 HG1 MET 172 4.515 -18.129 24.937 0.00 0.00 ENZA ATOM 2513 HG2 MET 172 4.108 -18.049 23.197 0.00 0.00 ENZA ATOM 2514 SD MET 172 3.074 -19.956 24.237 0.00 0.00 ENZA ATOM 2515 CE MET 172 1.820 -18.652 24.188 0.00 0.00 ENZA ATOM 2516 HE1 MET 172 1.764 -18.190 23.180 0.00 0.00 ENZA ATOM 2517 HE2 MET 172 0.819 -19.062 24.429 0.00 0.00 ENZA ATOM 2518 HE3 MET 172 2.046 -17.850 24.922 0.00 0.00 ENZA ATOM 2519 C MET 172 6.426 -17.550 22.107 0.00 0.00 ENZA ATOM 2520 O MET 172 6.075 -16.375 22.214 0.00 0.00 ENZA ATOM 2521 N PHE 173 6.418 -18.190 20.919 0.00 0.00 ENZA ATOM 2522 HN PHE 173 6.667 -19.166 20.883 0.00 0.00 ENZA ATOM 2523 CA PHE 173 6.078 -17.595 19.638 0.00 0.00 ENZA ATOM 2524 HA PHE 173 5.948 -16.526 19.749 0.00 0.00 ENZA ATOM 2525 CB PHE 173 7.250 -17.908 18.655 0.00 0.00 ENZA ATOM 2526 HB1 PHE 173 8.202 -17.690 19.188 0.00 0.00 ENZA ATOM 2527 HB2 PHE 173 7.256 -18.989 18.407 0.00 0.00 ENZA ATOM 2528 CG PHE 173 7.260 -17.126 17.360 0.00 0.00 ENZA ATOM 2529 CD1 PHE 173 8.313 -16.232 17.093 0.00 0.00 ENZA ATOM 2530 HD1 PHE 173 9.087 -16.080 17.832 0.00 0.00 ENZA ATOM 2531 CE1 PHE 173 8.388 -15.551 15.871 0.00 0.00 ENZA ATOM 2532 HE1 PHE 173 9.206 -14.870 15.679 0.00 0.00 ENZA ATOM 2533 CZ PHE 173 7.394 -15.738 14.905 0.00 0.00 ENZA ATOM 2534 HZ PHE 173 7.441 -15.199 13.968 0.00 0.00 ENZA ATOM 2535 CD2 PHE 173 6.293 -17.336 16.359 0.00 0.00 ENZA ATOM 2536 HD2 PHE 173 5.502 -18.054 16.509 0.00 0.00 ENZA ATOM 2537 CE2 PHE 173 6.345 -16.632 15.149 0.00 0.00 ENZA ATOM 2538 HE2 PHE 173 5.579 -16.785 14.402 0.00 0.00 ENZA ATOM 2539 C PHE 173 4.768 -18.194 19.120 0.00 0.00 ENZA ATOM 2540 O PHE 173 4.611 -19.414 19.072 0.00 0.00 ENZA ATOM 2541 N VAL 174 3.802 -17.353 18.694 0.00 0.00 ENZA ATOM 2542 HN VAL 174 3.908 -16.356 18.784 0.00 0.00 ENZA ATOM 2543 CA VAL 174 2.560 -17.774 18.056 0.00 0.00 ENZA ATOM 2544 HA VAL 174 2.510 -18.853 18.043 0.00 0.00 ENZA ATOM 2545 CB VAL 174 1.329 -17.267 18.811 0.00 0.00 ENZA ATOM 2546 HB VAL 174 1.407 -16.162 18.928 0.00 0.00 ENZA ATOM 2547 CG1 VAL 174 0.013 -17.605 18.077 0.00 0.00 ENZA ATOM 2548 HG11 VAL 174 -0.063 -17.062 17.111 0.00 0.00 ENZA ATOM 2549 HG12 VAL 174 -0.053 -18.697 17.882 0.00 0.00 ENZA ATOM 2550 HG13 VAL 174 -0.855 -17.306 18.703 0.00 0.00 ENZA ATOM 2551 CG2 VAL 174 1.313 -17.917 20.209 0.00 0.00 ENZA ATOM 2552 HG21 VAL 174 2.235 -17.666 20.774 0.00 0.00 ENZA ATOM 2553 HG22 VAL 174 0.438 -17.560 20.790 0.00 0.00 ENZA ATOM 2554 HG23 VAL 174 1.252 -19.023 20.118 0.00 0.00 ENZA ATOM 2555 C VAL 174 2.541 -17.313 16.598 0.00 0.00 ENZA ATOM 2556 O VAL 174 2.849 -16.164 16.271 0.00 0.00 ENZA ATOM 2557 N GLU 175 2.190 -18.233 15.673 0.00 0.00 ENZA ATOM 2558 HN GLU 175 1.958 -19.163 15.978 0.00 0.00 ENZA ATOM 2559 CA GLU 175 2.166 -18.009 14.236 0.00 0.00 ENZA ATOM 2560 HA GLU 175 3.041 -17.435 13.959 0.00 0.00 ENZA ATOM 2561 CB GLU 175 2.175 -19.371 13.495 0.00 0.00 ENZA ATOM 2562 HB1 GLU 175 1.286 -19.951 13.832 0.00 0.00 ENZA ATOM 2563 HB2 GLU 175 2.085 -19.222 12.395 0.00 0.00 ENZA ATOM 2564 CG GLU 175 3.443 -20.211 13.751 0.00 0.00 ENZA ATOM 2565 HG1 GLU 175 4.324 -19.725 13.284 0.00 0.00 ENZA ATOM 2566 HG2 GLU 175 3.637 -20.300 14.840 0.00 0.00 ENZA ATOM 2567 CD GLU 175 3.313 -21.632 13.207 0.00 0.00 ENZA ATOM 2568 OE1 GLU 175 3.704 -22.634 13.772 0.00 0.00 ENZA ATOM 2569 OE2 GLU 175 2.722 -21.718 11.971 0.00 0.00 ENZA ATOM 2570 HE2 GLU 175 2.564 -22.652 11.764 0.00 0.00 ENZA ATOM 2571 C GLU 175 0.943 -17.249 13.737 0.00 0.00 ENZA ATOM 2572 O GLU 175 0.005 -16.939 14.474 0.00 0.00 ENZA ATOM 2573 N GLU 176 0.910 -16.943 12.424 0.00 0.00 ENZA ATOM 2574 HN GLU 176 1.686 -17.162 11.826 0.00 0.00 ENZA ATOM 2575 CA GLU 176 -0.213 -16.289 11.783 0.00 0.00 ENZA ATOM 2576 HA GLU 176 -0.475 -15.430 12.384 0.00 0.00 ENZA ATOM 2577 CB GLU 176 0.191 -15.768 10.383 0.00 0.00 ENZA ATOM 2578 HB1 GLU 176 1.157 -15.221 10.491 0.00 0.00 ENZA ATOM 2579 HB2 GLU 176 0.366 -16.625 9.696 0.00 0.00 ENZA ATOM 2580 CG GLU 176 -0.855 -14.799 9.791 0.00 0.00 ENZA ATOM 2581 HG1 GLU 176 -1.814 -15.321 9.639 0.00 0.00 ENZA ATOM 2582 HG2 GLU 176 -1.021 -13.986 10.526 0.00 0.00 ENZA ATOM 2583 CD GLU 176 -0.439 -14.181 8.473 0.00 0.00 ENZA ATOM 2584 OE1 GLU 176 -0.558 -14.860 7.416 0.00 0.00 ENZA ATOM 2585 OE2 GLU 176 0.009 -13.004 8.483 0.00 0.00 ENZA ATOM 2586 C GLU 176 -1.460 -17.174 11.678 0.00 0.00 ENZA ATOM 2587 O GLU 176 -1.390 -18.362 11.365 0.00 0.00 ENZA ATOM 2588 N HSP 177 -2.653 -16.604 11.973 0.00 0.00 ENZA ATOM 2589 HN HSP 177 -2.683 -15.631 12.227 0.00 0.00 ENZA ATOM 2590 CA HSP 177 -3.959 -17.249 11.874 0.00 0.00 ENZA ATOM 2591 HA HSP 177 -4.658 -16.506 12.229 0.00 0.00 ENZA ATOM 2592 CB HSP 177 -4.376 -17.578 10.416 0.00 0.00 ENZA ATOM 2593 HB1 HSP 177 -3.625 -18.252 9.952 0.00 0.00 ENZA ATOM 2594 HB2 HSP 177 -5.361 -18.091 10.386 0.00 0.00 ENZA ATOM 2595 CD2 HSP 177 -3.806 -15.894 8.523 0.00 0.00 ENZA ATOM 2596 HD2 HSP 177 -2.986 -16.389 8.017 0.00 0.00 ENZA ATOM 2597 CG HSP 177 -4.513 -16.338 9.585 0.00 0.00 ENZA ATOM 2598 NE2 HSP 177 -4.320 -14.667 8.188 0.00 0.00 ENZA ATOM 2599 HE2 HSP 177 -4.074 -14.093 7.386 0.00 0.00 ENZA ATOM 2600 ND1 HSP 177 -5.454 -15.388 9.861 0.00 0.00 ENZA ATOM 2601 HD1 HSP 177 -6.214 -15.514 10.530 0.00 0.00 ENZA ATOM 2602 CE1 HSP 177 -5.320 -14.388 9.008 0.00 0.00 ENZA ATOM 2603 HE1 HSP 177 -5.907 -13.485 8.996 0.00 0.00 ENZA ATOM 2604 C HSP 177 -4.224 -18.441 12.781 0.00 0.00 ENZA ATOM 2605 O HSP 177 -5.259 -19.091 12.654 0.00 0.00 ENZA ATOM 2606 N VAL 178 -3.342 -18.741 13.754 0.00 0.00 ENZA ATOM 2607 HN VAL 178 -2.464 -18.272 13.792 0.00 0.00 ENZA ATOM 2608 CA VAL 178 -3.581 -19.774 14.754 0.00 0.00 ENZA ATOM 2609 HA VAL 178 -4.029 -20.625 14.266 0.00 0.00 ENZA ATOM 2610 CB VAL 178 -2.286 -20.275 15.386 0.00 0.00 ENZA ATOM 2611 HB VAL 178 -1.758 -19.435 15.895 0.00 0.00 ENZA ATOM 2612 CG1 VAL 178 -2.575 -21.390 16.414 0.00 0.00 ENZA ATOM 2613 HG11 VAL 178 -3.131 -22.225 15.935 0.00 0.00 ENZA ATOM 2614 HG12 VAL 178 -1.616 -21.794 16.804 0.00 0.00 ENZA ATOM 2615 HG13 VAL 178 -3.160 -21.014 17.278 0.00 0.00 ENZA ATOM 2616 CG2 VAL 178 -1.370 -20.823 14.274 0.00 0.00 ENZA ATOM 2617 HG21 VAL 178 -0.444 -21.246 14.722 0.00 0.00 ENZA ATOM 2618 HG22 VAL 178 -1.882 -21.631 13.709 0.00 0.00 ENZA ATOM 2619 HG23 VAL 178 -1.074 -20.029 13.558 0.00 0.00 ENZA ATOM 2620 C VAL 178 -4.507 -19.234 15.849 0.00 0.00 ENZA ATOM 2621 O VAL 178 -4.104 -18.281 16.526 0.00 0.00 ENZA ATOM 2622 N PRO 179 -5.728 -19.726 16.094 0.00 0.00 ENZA ATOM 2623 CD PRO 179 -6.410 -20.737 15.285 0.00 0.00 ENZA ATOM 2624 HD1 PRO 179 -6.088 -20.743 14.222 0.00 0.00 ENZA ATOM 2625 HD2 PRO 179 -6.229 -21.734 15.744 0.00 0.00 ENZA ATOM 2626 CA PRO 179 -6.622 -19.151 17.100 0.00 0.00 ENZA ATOM 2627 HA PRO 179 -6.659 -18.079 16.965 0.00 0.00 ENZA ATOM 2628 CB PRO 179 -7.976 -19.830 16.833 0.00 0.00 ENZA ATOM 2629 HB1 PRO 179 -8.815 -19.115 16.957 0.00 0.00 ENZA ATOM 2630 HB2 PRO 179 -8.138 -20.703 17.506 0.00 0.00 ENZA ATOM 2631 CG PRO 179 -7.876 -20.345 15.396 0.00 0.00 ENZA ATOM 2632 HG1 PRO 179 -8.080 -19.511 14.687 0.00 0.00 ENZA ATOM 2633 HG2 PRO 179 -8.569 -21.186 15.190 0.00 0.00 ENZA ATOM 2634 C PRO 179 -6.153 -19.440 18.509 0.00 0.00 ENZA ATOM 2635 O PRO 179 -5.653 -20.536 18.753 0.00 0.00 ENZA ATOM 2636 N ALA 181 -6.331 -18.432 23.088 0.00 0.00 ENZA ATOM 2637 HN ALA 181 -5.831 -19.293 23.236 0.00 0.00 ENZA ATOM 2638 CA ALA 181 -6.890 -17.845 24.288 0.00 0.00 ENZA ATOM 2639 HA ALA 181 -7.081 -16.791 24.127 0.00 0.00 ENZA ATOM 2640 CB ALA 181 -8.180 -18.569 24.727 0.00 0.00 ENZA ATOM 2641 HB1 ALA 181 -8.940 -18.522 23.926 0.00 0.00 ENZA ATOM 2642 HB2 ALA 181 -7.975 -19.641 24.935 0.00 0.00 ENZA ATOM 2643 HB3 ALA 181 -8.613 -18.103 25.638 0.00 0.00 ENZA ATOM 2644 C ALA 181 -5.908 -17.972 25.441 0.00 0.00 ENZA ATOM 2645 O ALA 181 -5.217 -18.981 25.582 0.00 0.00 ENZA ATOM 2646 N PHE 182 -5.860 -16.946 26.309 0.00 0.00 ENZA ATOM 2647 HN PHE 182 -6.399 -16.121 26.149 0.00 0.00 ENZA ATOM 2648 CA PHE 182 -5.066 -16.950 27.524 0.00 0.00 ENZA ATOM 2649 HA PHE 182 -4.547 -17.893 27.641 0.00 0.00 ENZA ATOM 2650 CB PHE 182 -4.064 -15.768 27.557 0.00 0.00 ENZA ATOM 2651 HB1 PHE 182 -4.590 -14.796 27.438 0.00 0.00 ENZA ATOM 2652 HB2 PHE 182 -3.498 -15.749 28.513 0.00 0.00 ENZA ATOM 2653 CG PHE 182 -3.080 -15.913 26.443 0.00 0.00 ENZA ATOM 2654 CD1 PHE 182 -3.253 -15.233 25.226 0.00 0.00 ENZA ATOM 2655 HD1 PHE 182 -4.104 -14.582 25.096 0.00 0.00 ENZA ATOM 2656 CE1 PHE 182 -2.340 -15.411 24.179 0.00 0.00 ENZA ATOM 2657 HE1 PHE 182 -2.471 -14.881 23.247 0.00 0.00 ENZA ATOM 2658 CZ PHE 182 -1.251 -16.272 24.346 0.00 0.00 ENZA ATOM 2659 HZ PHE 182 -0.557 -16.425 23.533 0.00 0.00 ENZA ATOM 2660 CD2 PHE 182 -1.974 -16.757 26.608 0.00 0.00 ENZA ATOM 2661 HD2 PHE 182 -1.839 -17.288 27.539 0.00 0.00 ENZA ATOM 2662 CE2 PHE 182 -1.057 -16.928 25.568 0.00 0.00 ENZA ATOM 2663 HE2 PHE 182 -0.215 -17.586 25.714 0.00 0.00 ENZA ATOM 2664 C PHE 182 -5.973 -16.768 28.720 0.00 0.00 ENZA ATOM 2665 O PHE 182 -6.874 -15.929 28.706 0.00 0.00 ENZA ATOM 2666 N THR 183 -5.752 -17.518 29.809 0.00 0.00 ENZA ATOM 2667 HN THR 183 -5.072 -18.259 29.806 0.00 0.00 ENZA ATOM 2668 CA THR 183 -6.365 -17.206 31.095 0.00 0.00 ENZA ATOM 2669 HA THR 183 -6.766 -16.203 31.074 0.00 0.00 ENZA ATOM 2670 CB THR 183 -7.492 -18.144 31.555 0.00 0.00 ENZA ATOM 2671 HB THR 183 -7.987 -17.726 32.461 0.00 0.00 ENZA ATOM 2672 OG1 THR 183 -7.047 -19.462 31.861 0.00 0.00 ENZA ATOM 2673 HG1 THR 183 -6.737 -19.439 32.782 0.00 0.00 ENZA ATOM 2674 CG2 THR 183 -8.550 -18.250 30.447 0.00 0.00 ENZA ATOM 2675 HG21 THR 183 -8.139 -18.784 29.566 0.00 0.00 ENZA ATOM 2676 HG22 THR 183 -9.438 -18.806 30.811 0.00 0.00 ENZA ATOM 2677 HG23 THR 183 -8.881 -17.240 30.127 0.00 0.00 ENZA ATOM 2678 C THR 183 -5.271 -17.202 32.129 0.00 0.00 ENZA ATOM 2679 O THR 183 -4.146 -17.638 31.880 0.00 0.00 ENZA ATOM 2680 N ALA 184 -5.566 -16.752 33.361 0.00 0.00 ENZA ATOM 2681 HN ALA 184 -6.429 -16.325 33.622 0.00 0.00 ENZA ATOM 2682 CA ALA 184 -4.708 -17.075 34.498 0.00 0.00 ENZA ATOM 2683 HA ALA 184 -3.681 -16.961 34.175 0.00 0.00 ENZA ATOM 2684 CB ALA 184 -4.923 -16.036 35.631 0.00 0.00 ENZA ATOM 2685 HB1 ALA 184 -5.855 -16.203 36.212 0.00 0.00 ENZA ATOM 2686 HB2 ALA 184 -4.060 -16.102 36.331 0.00 0.00 ENZA ATOM 2687 HB3 ALA 184 -5.090 -14.994 35.283 0.00 0.00 ENZA ATOM 2688 C ALA 184 -4.914 -18.515 34.877 0.00 0.00 ENZA ATOM 2689 O ALA 184 -5.945 -19.157 34.609 0.00 0.00 ENZA ATOM 2690 N ALA 185 -3.928 -19.180 35.473 0.00 0.00 ENZA ATOM 2691 HN ALA 185 -3.049 -18.720 35.592 0.00 0.00 ENZA ATOM 2692 CA ALA 185 -4.078 -20.581 35.787 0.00 0.00 ENZA ATOM 2693 HA ALA 185 -4.613 -21.004 34.944 0.00 0.00 ENZA ATOM 2694 CB ALA 185 -2.696 -21.272 35.935 0.00 0.00 ENZA ATOM 2695 HB1 ALA 185 -2.325 -21.232 36.981 0.00 0.00 ENZA ATOM 2696 HB2 ALA 185 -2.780 -22.350 35.676 0.00 0.00 ENZA ATOM 2697 HB3 ALA 185 -1.881 -20.722 35.414 0.00 0.00 ENZA ATOM 2698 C ALA 185 -5.017 -20.784 37.074 0.00 0.00 ENZA ATOM 2699 O ALA 185 -5.332 -19.875 37.848 0.00 0.00 ENZA ATOM 2700 N LYS 186 -5.510 -22.058 37.253 0.00 0.00 ENZA ATOM 2701 HN LYS 186 -5.222 -22.808 36.659 0.00 0.00 ENZA ATOM 2702 CA LYS 186 -6.609 -22.296 38.138 0.00 0.00 ENZA ATOM 2703 HA LYS 186 -7.206 -21.396 38.049 0.00 0.00 ENZA ATOM 2704 CB LYS 186 -7.512 -23.514 37.715 0.00 0.00 ENZA ATOM 2705 HB1 LYS 186 -7.502 -23.671 36.612 0.00 0.00 ENZA ATOM 2706 HB2 LYS 186 -7.003 -24.428 38.096 0.00 0.00 ENZA ATOM 2707 CG LYS 186 -8.990 -23.437 38.141 0.00 0.00 ENZA ATOM 2708 HG1 LYS 186 -9.077 -23.479 39.251 0.00 0.00 ENZA ATOM 2709 HG2 LYS 186 -9.464 -22.535 37.690 0.00 0.00 ENZA ATOM 2710 CD LYS 186 -9.855 -24.676 37.697 0.00 0.00 ENZA ATOM 2711 HD1 LYS 186 -9.636 -24.840 36.619 0.00 0.00 ENZA ATOM 2712 HD2 LYS 186 -9.541 -25.578 38.274 0.00 0.00 ENZA ATOM 2713 CE LYS 186 -11.353 -24.459 37.936 0.00 0.00 ENZA ATOM 2714 HE1 LYS 186 -11.519 -24.683 39.013 0.00 0.00 ENZA ATOM 2715 HE2 LYS 186 -11.692 -23.439 37.649 0.00 0.00 ENZA ATOM 2716 NZ LYS 186 -12.110 -25.368 37.121 0.00 0.00 ENZA ATOM 2717 HZ1 LYS 186 -13.089 -25.436 37.465 0.00 0.00 ENZA ATOM 2718 HZ2 LYS 186 -12.211 -24.973 36.165 0.00 0.00 ENZA ATOM 2719 HZ3 LYS 186 -11.750 -26.343 37.175 0.00 0.00 ENZA ATOM 2720 C LYS 186 -6.108 -22.431 39.621 0.00 0.00 ENZA ATOM 2721 O LYS 186 -5.079 -23.018 39.956 0.00 0.00 ENZA ATOM 2722 N GLY 187 -6.751 -21.692 40.549 0.00 0.00 ENZA ATOM 2723 HN GLY 187 -7.589 -21.238 40.249 0.00 0.00 ENZA ATOM 2724 CA GLY 187 -6.183 -21.613 41.891 0.00 0.00 ENZA ATOM 2725 HA1 GLY 187 -5.391 -22.329 42.057 0.00 0.00 ENZA ATOM 2726 HA2 GLY 187 -6.931 -21.586 42.670 0.00 0.00 ENZA ATOM 2727 C GLY 187 -5.555 -20.254 42.095 0.00 0.00 ENZA ATOM 2728 O GLY 187 -5.329 -19.824 43.216 0.00 0.00 ENZA ATOM 2729 N THR 188 -5.050 -19.480 41.074 0.00 0.00 ENZA ATOM 2730 HN THR 188 -5.219 -19.805 40.145 0.00 0.00 ENZA ATOM 2731 CA THR 188 -4.313 -18.259 41.169 0.00 0.00 ENZA ATOM 2732 HA THR 188 -3.776 -18.294 42.107 0.00 0.00 ENZA ATOM 2733 CB THR 188 -3.237 -18.044 40.153 0.00 0.00 ENZA ATOM 2734 HB THR 188 -2.587 -17.187 40.452 0.00 0.00 ENZA ATOM 2735 OG1 THR 188 -3.754 -17.642 38.864 0.00 0.00 ENZA ATOM 2736 HG1 THR 188 -4.476 -18.247 38.663 0.00 0.00 ENZA ATOM 2737 CG2 THR 188 -2.430 -19.338 39.884 0.00 0.00 ENZA ATOM 2738 HG21 THR 188 -2.116 -19.752 40.865 0.00 0.00 ENZA ATOM 2739 HG22 THR 188 -3.090 -20.136 39.485 0.00 0.00 ENZA ATOM 2740 HG23 THR 188 -1.609 -19.213 39.144 0.00 0.00 ENZA ATOM 2741 C THR 188 -5.325 -17.024 41.208 0.00 0.00 ENZA ATOM 2742 O THR 188 -6.532 -17.252 41.296 0.00 0.00 ENZA ATOM 2743 N GLY 189 -4.773 -15.774 41.168 0.00 0.00 ENZA ATOM 2744 HN GLY 189 -3.784 -15.633 41.197 0.00 0.00 ENZA ATOM 2745 CA GLY 189 -5.506 -14.518 40.925 0.00 0.00 ENZA ATOM 2746 HA1 GLY 189 -5.468 -13.926 41.829 0.00 0.00 ENZA ATOM 2747 HA2 GLY 189 -6.525 -14.757 40.649 0.00 0.00 ENZA ATOM 2748 C GLY 189 -4.896 -13.722 39.853 0.00 0.00 ENZA ATOM 2749 O GLY 189 -4.192 -14.307 39.045 0.00 0.00 ENZA ATOM 2750 N SER 190 -5.144 -12.397 39.785 0.00 0.00 ENZA ATOM 2751 HN SER 190 -5.755 -12.069 40.506 0.00 0.00 ENZA ATOM 2752 CA SER 190 -4.903 -11.623 38.631 0.00 0.00 ENZA ATOM 2753 HA SER 190 -5.497 -12.121 37.877 0.00 0.00 ENZA ATOM 2754 CB SER 190 -5.368 -10.126 38.706 0.00 0.00 ENZA ATOM 2755 HB1 SER 190 -4.727 -9.573 39.431 0.00 0.00 ENZA ATOM 2756 HB2 SER 190 -5.335 -9.787 37.645 0.00 0.00 ENZA ATOM 2757 OG SER 190 -6.685 -9.869 39.181 0.00 0.00 ENZA ATOM 2758 HG1 SER 190 -6.515 -9.511 40.061 0.00 0.00 ENZA ATOM 2759 C SER 190 -3.425 -11.613 38.119 0.00 0.00 ENZA ATOM 2760 O SER 190 -2.606 -11.098 38.802 0.00 0.00 ENZA ATOM 2761 N ALA 191 -3.124 -12.204 36.931 0.00 0.00 ENZA ATOM 2762 HN ALA 191 -3.821 -12.828 36.580 0.00 0.00 ENZA ATOM 2763 CA ALA 191 -1.804 -12.278 36.250 0.00 0.00 ENZA ATOM 2764 HA ALA 191 -1.015 -12.409 36.981 0.00 0.00 ENZA ATOM 2765 CB ALA 191 -1.763 -13.546 35.376 0.00 0.00 ENZA ATOM 2766 HB1 ALA 191 -2.154 -14.363 36.020 0.00 0.00 ENZA ATOM 2767 HB2 ALA 191 -2.454 -13.663 34.515 0.00 0.00 ENZA ATOM 2768 HB3 ALA 191 -0.724 -13.881 35.164 0.00 0.00 ENZA ATOM 2769 C ALA 191 -1.612 -11.050 35.426 0.00 0.00 ENZA ATOM 2770 O ALA 191 -2.485 -10.204 35.285 0.00 0.00 ENZA ATOM 2771 N LYS 192 -0.408 -10.926 34.820 0.00 0.00 ENZA ATOM 2772 HN LYS 192 0.302 -11.607 35.024 0.00 0.00 ENZA ATOM 2773 CA LYS 192 -0.092 -9.966 33.771 0.00 0.00 ENZA ATOM 2774 HA LYS 192 -1.011 -9.636 33.307 0.00 0.00 ENZA ATOM 2775 CB LYS 192 0.711 -8.730 34.262 0.00 0.00 ENZA ATOM 2776 HB1 LYS 192 1.646 -9.078 34.755 0.00 0.00 ENZA ATOM 2777 HB2 LYS 192 1.000 -8.117 33.376 0.00 0.00 ENZA ATOM 2778 CG LYS 192 -0.034 -7.795 35.231 0.00 0.00 ENZA ATOM 2779 HG1 LYS 192 -1.004 -7.488 34.779 0.00 0.00 ENZA ATOM 2780 HG2 LYS 192 -0.257 -8.357 36.166 0.00 0.00 ENZA ATOM 2781 CD LYS 192 0.807 -6.548 35.561 0.00 0.00 ENZA ATOM 2782 HD1 LYS 192 1.834 -6.901 35.820 0.00 0.00 ENZA ATOM 2783 HD2 LYS 192 0.902 -5.903 34.660 0.00 0.00 ENZA ATOM 2784 CE LYS 192 0.317 -5.722 36.761 0.00 0.00 ENZA ATOM 2785 HE1 LYS 192 0.084 -6.393 37.611 0.00 0.00 ENZA ATOM 2786 HE2 LYS 192 1.115 -5.013 37.074 0.00 0.00 ENZA ATOM 2787 NZ LYS 192 -0.888 -4.932 36.458 0.00 0.00 ENZA ATOM 2788 HZ1 LYS 192 -1.284 -4.514 37.334 0.00 0.00 ENZA ATOM 2789 HZ2 LYS 192 -0.680 -4.171 35.768 0.00 0.00 ENZA ATOM 2790 HZ3 LYS 192 -1.657 -5.518 36.033 0.00 0.00 ENZA ATOM 2791 C LYS 192 0.743 -10.649 32.685 0.00 0.00 ENZA ATOM 2792 O LYS 192 1.661 -11.419 32.970 0.00 0.00 ENZA ATOM 2793 N LEU 193 0.449 -10.360 31.405 0.00 0.00 ENZA ATOM 2794 HN LEU 193 -0.271 -9.683 31.205 0.00 0.00 ENZA ATOM 2795 CA LEU 193 1.074 -10.954 30.235 0.00 0.00 ENZA ATOM 2796 HA LEU 193 1.926 -11.555 30.523 0.00 0.00 ENZA ATOM 2797 CB LEU 193 0.009 -11.818 29.506 0.00 0.00 ENZA ATOM 2798 HB1 LEU 193 -0.426 -12.524 30.247 0.00 0.00 ENZA ATOM 2799 HB2 LEU 193 -0.820 -11.149 29.181 0.00 0.00 ENZA ATOM 2800 CG LEU 193 0.474 -12.645 28.288 0.00 0.00 ENZA ATOM 2801 HG LEU 193 1.030 -11.980 27.585 0.00 0.00 ENZA ATOM 2802 CD1 LEU 193 1.390 -13.806 28.694 0.00 0.00 ENZA ATOM 2803 HD11 LEU 193 2.294 -13.435 29.214 0.00 0.00 ENZA ATOM 2804 HD12 LEU 193 0.851 -14.502 29.372 0.00 0.00 ENZA ATOM 2805 HD13 LEU 193 1.712 -14.373 27.795 0.00 0.00 ENZA ATOM 2806 CD2 LEU 193 -0.746 -13.195 27.534 0.00 0.00 ENZA ATOM 2807 HD21 LEU 193 -0.430 -13.776 26.642 0.00 0.00 ENZA ATOM 2808 HD22 LEU 193 -1.341 -13.863 28.193 0.00 0.00 ENZA ATOM 2809 HD23 LEU 193 -1.403 -12.365 27.200 0.00 0.00 ENZA ATOM 2810 C LEU 193 1.563 -9.841 29.311 0.00 0.00 ENZA ATOM 2811 O LEU 193 0.947 -8.784 29.225 0.00 0.00 ENZA ATOM 2812 N ILE 194 2.687 -10.018 28.590 0.00 0.00 ENZA ATOM 2813 HN ILE 194 3.246 -10.848 28.691 0.00 0.00 ENZA ATOM 2814 CA ILE 194 3.124 -9.076 27.562 0.00 0.00 ENZA ATOM 2815 HA ILE 194 2.501 -8.192 27.572 0.00 0.00 ENZA ATOM 2816 CB ILE 194 4.574 -8.617 27.740 0.00 0.00 ENZA ATOM 2817 HB ILE 194 5.245 -9.503 27.674 0.00 0.00 ENZA ATOM 2818 CG2 ILE 194 4.957 -7.618 26.620 0.00 0.00 ENZA ATOM 2819 HG21 ILE 194 6.000 -7.263 26.751 0.00 0.00 ENZA ATOM 2820 HG22 ILE 194 4.904 -8.089 25.617 0.00 0.00 ENZA ATOM 2821 HG23 ILE 194 4.281 -6.737 26.636 0.00 0.00 ENZA ATOM 2822 CG1 ILE 194 4.755 -7.989 29.145 0.00 0.00 ENZA ATOM 2823 HG11 ILE 194 4.046 -7.139 29.253 0.00 0.00 ENZA ATOM 2824 HG12 ILE 194 4.485 -8.746 29.913 0.00 0.00 ENZA ATOM 2825 CD ILE 194 6.177 -7.497 29.440 0.00 0.00 ENZA ATOM 2826 HD1 ILE 194 6.457 -6.655 28.773 0.00 0.00 ENZA ATOM 2827 HD2 ILE 194 6.250 -7.133 30.487 0.00 0.00 ENZA ATOM 2828 HD3 ILE 194 6.916 -8.316 29.302 0.00 0.00 ENZA ATOM 2829 C ILE 194 2.939 -9.732 26.206 0.00 0.00 ENZA ATOM 2830 O ILE 194 3.327 -10.884 26.013 0.00 0.00 ENZA ATOM 2831 N ALA 195 2.326 -9.014 25.238 0.00 0.00 ENZA ATOM 2832 HN ALA 195 2.015 -8.075 25.411 0.00 0.00 ENZA ATOM 2833 CA ALA 195 2.094 -9.500 23.895 0.00 0.00 ENZA ATOM 2834 HA ALA 195 2.578 -10.458 23.759 0.00 0.00 ENZA ATOM 2835 CB ALA 195 0.580 -9.660 23.653 0.00 0.00 ENZA ATOM 2836 HB1 ALA 195 0.158 -10.373 24.393 0.00 0.00 ENZA ATOM 2837 HB2 ALA 195 0.057 -8.687 23.768 0.00 0.00 ENZA ATOM 2838 HB3 ALA 195 0.378 -10.060 22.636 0.00 0.00 ENZA ATOM 2839 C ALA 195 2.681 -8.546 22.859 0.00 0.00 ENZA ATOM 2840 O ALA 195 2.313 -7.373 22.774 0.00 0.00 ENZA ATOM 2841 N VAL 196 3.627 -9.028 22.030 0.00 0.00 ENZA ATOM 2842 HN VAL 196 3.941 -9.979 22.128 0.00 0.00 ENZA ATOM 2843 CA VAL 196 4.249 -8.233 20.980 0.00 0.00 ENZA ATOM 2844 HA VAL 196 3.921 -7.206 21.050 0.00 0.00 ENZA ATOM 2845 CB VAL 196 5.773 -8.232 21.059 0.00 0.00 ENZA ATOM 2846 HB VAL 196 6.160 -9.265 20.898 0.00 0.00 ENZA ATOM 2847 CG1 VAL 196 6.368 -7.294 19.986 0.00 0.00 ENZA ATOM 2848 HG11 VAL 196 7.474 -7.256 20.091 0.00 0.00 ENZA ATOM 2849 HG12 VAL 196 6.140 -7.648 18.959 0.00 0.00 ENZA ATOM 2850 HG13 VAL 196 5.972 -6.263 20.103 0.00 0.00 ENZA ATOM 2851 CG2 VAL 196 6.207 -7.765 22.464 0.00 0.00 ENZA ATOM 2852 HG21 VAL 196 5.872 -8.480 23.245 0.00 0.00 ENZA ATOM 2853 HG22 VAL 196 7.314 -7.696 22.518 0.00 0.00 ENZA ATOM 2854 HG23 VAL 196 5.781 -6.765 22.692 0.00 0.00 ENZA ATOM 2855 C VAL 196 3.812 -8.753 19.624 0.00 0.00 ENZA ATOM 2856 O VAL 196 4.104 -9.885 19.250 0.00 0.00 ENZA ATOM 2857 N ASN 197 3.089 -7.931 18.840 0.00 0.00 ENZA ATOM 2858 HN ASN 197 2.869 -7.005 19.156 0.00 0.00 ENZA ATOM 2859 CA ASN 197 2.630 -8.271 17.501 0.00 0.00 ENZA ATOM 2860 HA ASN 197 2.600 -9.348 17.371 0.00 0.00 ENZA ATOM 2861 CB ASN 197 1.238 -7.629 17.231 0.00 0.00 ENZA ATOM 2862 HB1 ASN 197 1.289 -6.613 17.627 0.00 0.00 ENZA ATOM 2863 HB2 ASN 197 1.032 -7.578 16.162 0.00 0.00 ENZA ATOM 2864 CG ASN 197 0.097 -8.413 17.866 0.00 0.00 ENZA ATOM 2865 OD1 ASN 197 -0.549 -9.232 17.188 0.00 0.00 ENZA ATOM 2866 ND2 ASN 197 -0.193 -8.152 19.155 0.00 0.00 ENZA ATOM 2867 HD21 ASN 197 -0.952 -8.659 19.605 0.00 0.00 ENZA ATOM 2868 HD22 ASN 197 0.334 -7.474 19.685 0.00 0.00 ENZA ATOM 2869 C ASN 197 3.577 -7.711 16.453 0.00 0.00 ENZA ATOM 2870 O ASN 197 4.114 -6.627 16.659 0.00 0.00 ENZA ATOM 2871 N PHE 198 3.806 -8.423 15.324 0.00 0.00 ENZA ATOM 2872 HN PHE 198 3.374 -9.305 15.145 0.00 0.00 ENZA ATOM 2873 CA PHE 198 4.732 -7.985 14.288 0.00 0.00 ENZA ATOM 2874 HA PHE 198 4.518 -6.945 14.087 0.00 0.00 ENZA ATOM 2875 CB PHE 198 6.229 -8.073 14.721 0.00 0.00 ENZA ATOM 2876 HB1 PHE 198 6.887 -7.745 13.888 0.00 0.00 ENZA ATOM 2877 HB2 PHE 198 6.396 -7.385 15.576 0.00 0.00 ENZA ATOM 2878 CG PHE 198 6.650 -9.451 15.162 0.00 0.00 ENZA ATOM 2879 CD1 PHE 198 6.371 -9.889 16.467 0.00 0.00 ENZA ATOM 2880 HD1 PHE 198 5.841 -9.242 17.149 0.00 0.00 ENZA ATOM 2881 CE1 PHE 198 6.764 -11.159 16.893 0.00 0.00 ENZA ATOM 2882 HE1 PHE 198 6.514 -11.481 17.890 0.00 0.00 ENZA ATOM 2883 CZ PHE 198 7.476 -11.997 16.030 0.00 0.00 ENZA ATOM 2884 HZ PHE 198 7.791 -12.970 16.372 0.00 0.00 ENZA ATOM 2885 CD2 PHE 198 7.362 -10.303 14.300 0.00 0.00 ENZA ATOM 2886 HD2 PHE 198 7.598 -9.975 13.300 0.00 0.00 ENZA ATOM 2887 CE2 PHE 198 7.780 -11.570 14.731 0.00 0.00 ENZA ATOM 2888 HE2 PHE 198 8.330 -12.216 14.061 0.00 0.00 ENZA ATOM 2889 C PHE 198 4.523 -8.709 12.928 0.00 0.00 ENZA ATOM 2890 OT1 PHE 198 3.670 -9.626 12.800 0.00 0.00 ENZA ATOM 2891 OT2 PHE 198 5.214 -8.331 11.942 0.00 0.00 ENZA ATOM 2892 FE HPPE 1 -3.389 -12.511 19.551 0.00 0.00 HPPA ATOM 2893 P1 HPPE 1 -5.522 -11.018 21.424 0.00 0.00 HPPA ATOM 2894 C10 HPPE 1 -3.573 -10.887 23.533 0.00 0.00 HPPA ATOM 2895 C20 HPPE 1 -4.309 -11.848 22.595 0.00 0.00 HPPA ATOM 2896 O10 HPPE 1 -3.411 -12.665 21.820 0.00 0.00 HPPA ATOM 2897 C30 HPPE 1 -2.681 -11.600 24.557 0.00 0.00 HPPA ATOM 2898 O40 HPPE 1 -6.829 -11.836 21.429 0.00 0.00 HPPA ATOM 2899 O30 HPPE 1 -4.805 -11.116 19.996 0.00 0.00 HPPA ATOM 2900 O20 HPPE 1 -5.692 -9.528 21.816 0.00 0.00 HPPA ATOM 2901 H10 HPPE 1 -4.331 -10.285 24.047 0.00 0.00 HPPA ATOM 2902 H20 HPPE 1 -2.969 -10.184 22.947 0.00 0.00 HPPA ATOM 2903 H30 HPPE 1 -2.441 -12.387 21.907 0.00 0.00 HPPA ATOM 2904 H50 HPPE 1 -2.266 -10.886 25.276 0.00 0.00 HPPA ATOM 2905 H60 HPPE 1 -3.241 -12.365 25.110 0.00 0.00 HPPA ATOM 2906 H70 HPPE 1 -1.837 -12.104 24.080 0.00 0.00 HPPA ATOM 2907 H40 HPPE 1 -4.915 -12.532 23.206 0.00 0.00 HPPA ATOM 2908 CB1 HPPE 1 -5.376 -11.591 14.195 0.00 0.00 HPPA ATOM 2909 HB11 HPPE 1 -5.132 -10.677 13.643 0.00 0.00 HPPA ATOM 2910 HB21 HPPE 1 -6.377 -11.444 14.610 0.00 0.00 HPPA ATOM 2911 ND11 HPPE 1 -3.059 -11.706 15.285 0.00 0.00 HPPA ATOM 2912 HD11 HPPE 1 -2.506 -11.492 14.457 0.00 0.00 HPPA ATOM 2913 CG1 HPPE 1 -4.439 -11.821 15.336 0.00 0.00 HPPA ATOM 2914 CE11 HPPE 1 -2.568 -11.961 16.521 0.00 0.00 HPPA ATOM 2915 HE11 HPPE 1 -1.519 -11.939 16.769 0.00 0.00 HPPA ATOM 2916 NE21 HPPE 1 -3.553 -12.225 17.372 0.00 0.00 HPPA ATOM 2917 CD21 HPPE 1 -4.720 -12.140 16.640 0.00 0.00 HPPA ATOM 2918 HD21 HPPE 1 -5.690 -12.293 17.090 0.00 0.00 HPPA ATOM 2919 CB2 HPPE 1 -4.176 -18.130 20.743 0.00 0.00 HPPA ATOM 2920 HB12 HPPE 1 -3.776 -18.106 21.760 0.00 0.00 HPPA ATOM 2921 HB22 HPPE 1 -3.626 -18.906 20.200 0.00 0.00 HPPA ATOM 2922 ND12 HPPE 1 -3.836 -16.668 18.691 0.00 0.00 HPPA ATOM 2923 HD12 HPPE 1 -3.884 -17.406 17.982 0.00 0.00 HPPA ATOM 2924 CG2 HPPE 1 -3.991 -16.804 20.065 0.00 0.00 HPPA ATOM 2925 CE12 HPPE 1 -3.716 -15.360 18.394 0.00 0.00 HPPA ATOM 2926 HE12 HPPE 1 -3.606 -14.978 17.389 0.00 0.00 HPPA ATOM 2927 NE22 HPPE 1 -3.761 -14.630 19.502 0.00 0.00 HPPA ATOM 2928 CD22 HPPE 1 -3.927 -15.522 20.549 0.00 0.00 HPPA ATOM 2929 HD22 HPPE 1 -3.980 -15.170 21.567 0.00 0.00 HPPA ATOM 2930 CB3 HPPE 1 1.222 -12.875 18.694 0.00 0.00 HPPA ATOM 2931 HB13 HPPE 1 0.570 -12.454 17.927 0.00 0.00 HPPA ATOM 2932 HB23 HPPE 1 1.023 -13.949 18.730 0.00 0.00 HPPA ATOM 2933 CG3 HPPE 1 0.918 -12.201 20.038 0.00 0.00 HPPA ATOM 2934 HG13 HPPE 1 1.494 -12.618 20.870 0.00 0.00 HPPA ATOM 2935 HG23 HPPE 1 1.167 -11.130 20.004 0.00 0.00 HPPA ATOM 2936 CD3 HPPE 1 -0.563 -12.275 20.426 0.00 0.00 HPPA ATOM 2937 OE13 HPPE 1 -1.399 -12.475 19.467 0.00 0.00 HPPA ATOM 2938 OE23 HPPE 1 -0.883 -12.113 21.625 0.00 0.00 HPPA ATOM 2939 N1 HPPE 1 -5.699 -14.059 13.951 0.00 0.00 HPPA ATOM 2940 HN1 HPPE 1 -4.864 -14.531 14.265 0.00 0.00 HPPA ATOM 2941 CA1 HPPE 1 -5.524 -12.809 13.236 0.00 0.00 HPPA ATOM 2942 HA1 HPPE 1 -6.371 -12.641 12.579 0.00 0.00 HPPA ATOM 2943 C1 HPPE 1 -4.319 -12.874 12.325 0.00 0.00 HPPA ATOM 2944 O1 HPPE 1 -3.561 -13.844 12.318 0.00 0.00 HPPA ATOM 2945 N2 HPPE 1 -6.280 -18.484 19.447 0.00 0.00 HPPA ATOM 2946 HN2 HPPE 1 -6.710 -17.601 19.238 0.00 0.00 HPPA ATOM 2947 CA2 HPPE 1 -5.656 -18.628 20.752 0.00 0.00 HPPA ATOM 2948 HA2 HPPE 1 -5.672 -19.675 21.040 0.00 0.00 HPPA ATOM 2949 C2 HPPE 1 -6.411 -17.898 21.850 0.00 0.00 HPPA ATOM 2950 O2 HPPE 1 -7.080 -16.890 21.614 0.00 0.00 HPPA ATOM 2951 N3 HPPE 1 2.777 -13.175 16.763 0.00 0.00 HPPA ATOM 2952 HN3 HPPE 1 2.997 -14.149 16.653 0.00 0.00 HPPA ATOM 2953 CA3 HPPE 1 2.655 -12.683 18.127 0.00 0.00 HPPA ATOM 2954 HA3 HPPE 1 2.899 -11.628 18.144 0.00 0.00 HPPA ATOM 2955 C3 HPPE 1 3.649 -13.382 19.038 0.00 0.00 HPPA ATOM 2956 O3 HPPE 1 3.722 -14.607 19.078 0.00 0.00 HPPA ATOM 2957 O1 HOHO 1 -2.844 -9.367 19.539 0.00 0.00 HOHO ATOM 2958 O2 HOHO 1 -3.087 -9.015 18.151 0.00 0.00 HOHO ATOM 2959 H1 HOHO 1 -3.614 -9.977 19.717 0.00 0.00 HOHO ATOM 2960 H2 HOHO 1 -2.254 -9.350 17.740 0.00 0.00 HOHO ATOM 2961 OH2 TIP3 301 -1.160 -14.537 14.812 0.00 0.00 WATA ATOM 2962 H1 TIP3 301 -0.597 -15.336 14.816 0.00 0.00 WATA ATOM 2963 H2 TIP3 301 -0.636 -13.947 14.234 0.00 0.00 WATA ATOM 2964 OH2 TIP3 302 -2.425 -10.866 -26.957 0.00 0.00 WATA ATOM 2965 H1 TIP3 302 -2.891 -10.963 -26.126 0.00 0.00 WATA ATOM 2966 H2 TIP3 302 -1.634 -11.396 -26.851 0.00 0.00 WATA ATOM 2967 OH2 TIP3 303 -0.024 -5.250 -15.269 0.00 0.00 WATA ATOM 2968 H1 TIP3 303 -0.286 -5.082 -14.363 0.00 0.00 WATA ATOM 2969 H2 TIP3 303 0.755 -4.707 -15.397 0.00 0.00 WATA ATOM 2970 OH2 TIP3 304 4.061 11.815 -19.775 0.00 0.00 WATA ATOM 2971 H1 TIP3 304 3.152 11.597 -19.573 0.00 0.00 WATA ATOM 2972 H2 TIP3 304 4.554 11.025 -19.549 0.00 0.00 WATA ATOM 2973 OH2 TIP3 305 -6.220 -3.322 8.216 0.00 0.00 WATA ATOM 2974 H1 TIP3 305 -7.108 -3.001 8.377 0.00 0.00 WATA ATOM 2975 H2 TIP3 305 -6.034 -3.897 8.957 0.00 0.00 WATA ATOM 2976 OH2 TIP3 306 0.176 -0.391 21.347 0.00 0.00 WATA ATOM 2977 H1 TIP3 306 0.820 0.258 21.630 0.00 0.00 WATA ATOM 2978 H2 TIP3 306 0.389 -1.176 21.848 0.00 0.00 WATA ATOM 2979 OH2 TIP3 307 -13.846 -8.474 17.901 0.00 0.00 WATA ATOM 2980 H1 TIP3 307 -13.145 -8.289 17.234 0.00 0.00 WATA ATOM 2981 H2 TIP3 307 -13.952 -9.434 17.748 0.00 0.00 WATA ATOM 2982 OH2 TIP3 308 -4.442 14.789 17.296 0.00 0.00 WATA ATOM 2983 H1 TIP3 308 -5.014 15.212 16.657 0.00 0.00 WATA ATOM 2984 H2 TIP3 308 -5.039 14.389 17.928 0.00 0.00 WATA ATOM 2985 OH2 TIP3 310 -7.301 -14.213 22.588 0.00 0.00 WATA ATOM 2986 H1 TIP3 310 -6.984 -14.977 22.080 0.00 0.00 WATA ATOM 2987 H2 TIP3 310 -6.939 -13.442 22.092 0.00 0.00 WATA ATOM 2988 OH2 TIP3 311 -3.611 -15.611 15.218 0.00 0.00 WATA ATOM 2989 H1 TIP3 311 -2.756 -15.142 15.067 0.00 0.00 WATA ATOM 2990 H2 TIP3 311 -3.319 -16.493 15.475 0.00 0.00 WATA ATOM 2991 OH2 TIP3 312 -7.557 12.529 -26.890 0.00 0.00 WATA ATOM 2992 H1 TIP3 312 -8.222 12.909 -26.318 0.00 0.00 WATA ATOM 2993 H2 TIP3 312 -8.015 11.838 -27.367 0.00 0.00 WATA ATOM 2994 OH2 TIP3 313 -12.259 11.911 25.883 0.00 0.00 WATA ATOM 2995 H1 TIP3 313 -13.179 12.170 25.821 0.00 0.00 WATA ATOM 2996 H2 TIP3 313 -12.106 11.795 26.820 0.00 0.00 WATA ATOM 2997 N LYS 5 -12.149 -5.576 -5.816 0.00 0.00 ENZB ATOM 2998 HT1 LYS 5 -12.749 -5.463 -6.657 0.00 0.00 ENZB ATOM 2999 HT2 LYS 5 -11.371 -6.169 -6.168 0.00 0.00 ENZB ATOM 3000 HT3 LYS 5 -11.878 -4.615 -5.528 0.00 0.00 ENZB ATOM 3001 CA LYS 5 -12.878 -6.203 -4.653 0.00 0.00 ENZB ATOM 3002 HA LYS 5 -13.247 -7.137 -5.060 0.00 0.00 ENZB ATOM 3003 CB LYS 5 -11.876 -6.391 -3.504 0.00 0.00 ENZB ATOM 3004 HB1 LYS 5 -11.573 -5.394 -3.110 0.00 0.00 ENZB ATOM 3005 HB2 LYS 5 -12.364 -6.953 -2.675 0.00 0.00 ENZB ATOM 3006 CG LYS 5 -10.608 -7.201 -3.885 0.00 0.00 ENZB ATOM 3007 HG1 LYS 5 -10.902 -8.266 -4.030 0.00 0.00 ENZB ATOM 3008 HG2 LYS 5 -10.097 -6.808 -4.794 0.00 0.00 ENZB ATOM 3009 CD LYS 5 -9.646 -7.145 -2.752 0.00 0.00 ENZB ATOM 3010 HD1 LYS 5 -9.328 -6.117 -2.462 0.00 0.00 ENZB ATOM 3011 HD2 LYS 5 -10.204 -7.581 -1.892 0.00 0.00 ENZB ATOM 3012 CE LYS 5 -8.348 -7.914 -2.924 0.00 0.00 ENZB ATOM 3013 HE1 LYS 5 -7.743 -7.713 -3.835 0.00 0.00 ENZB ATOM 3014 HE2 LYS 5 -7.764 -7.674 -2.007 0.00 0.00 ENZB ATOM 3015 NZ LYS 5 -8.691 -9.352 -2.867 0.00 0.00 ENZB ATOM 3016 HZ1 LYS 5 -7.830 -9.937 -2.919 0.00 0.00 ENZB ATOM 3017 HZ2 LYS 5 -9.102 -9.566 -1.935 0.00 0.00 ENZB ATOM 3018 HZ3 LYS 5 -9.311 -9.622 -3.655 0.00 0.00 ENZB ATOM 3019 C LYS 5 -14.128 -5.397 -4.271 0.00 0.00 ENZB ATOM 3020 O LYS 5 -14.577 -4.553 -5.001 0.00 0.00 ENZB ATOM 3021 N THR 6 -14.634 -5.519 -3.035 0.00 0.00 ENZB ATOM 3022 HN THR 6 -14.375 -6.270 -2.429 0.00 0.00 ENZB ATOM 3023 CA THR 6 -15.639 -4.606 -2.392 0.00 0.00 ENZB ATOM 3024 HA THR 6 -16.374 -4.221 -3.087 0.00 0.00 ENZB ATOM 3025 CB THR 6 -16.484 -5.264 -1.315 0.00 0.00 ENZB ATOM 3026 HB THR 6 -17.062 -4.486 -0.758 0.00 0.00 ENZB ATOM 3027 OG1 THR 6 -15.803 -6.149 -0.424 0.00 0.00 ENZB ATOM 3028 HG1 THR 6 -16.459 -6.370 0.246 0.00 0.00 ENZB ATOM 3029 CG2 THR 6 -17.581 -5.979 -2.142 0.00 0.00 ENZB ATOM 3030 HG21 THR 6 -17.169 -6.537 -3.009 0.00 0.00 ENZB ATOM 3031 HG22 THR 6 -18.030 -6.754 -1.487 0.00 0.00 ENZB ATOM 3032 HG23 THR 6 -18.375 -5.271 -2.465 0.00 0.00 ENZB ATOM 3033 C THR 6 -14.884 -3.410 -1.761 0.00 0.00 ENZB ATOM 3034 O THR 6 -13.876 -3.588 -1.130 0.00 0.00 ENZB ATOM 3035 N ALA 7 -15.279 -2.118 -1.924 0.00 0.00 ENZB ATOM 3036 HN ALA 7 -16.054 -1.965 -2.537 0.00 0.00 ENZB ATOM 3037 CA ALA 7 -14.582 -0.988 -1.364 0.00 0.00 ENZB ATOM 3038 HA ALA 7 -13.569 -1.328 -1.189 0.00 0.00 ENZB ATOM 3039 CB ALA 7 -14.792 0.266 -2.256 0.00 0.00 ENZB ATOM 3040 HB1 ALA 7 -14.324 -0.030 -3.219 0.00 0.00 ENZB ATOM 3041 HB2 ALA 7 -15.841 0.457 -2.565 0.00 0.00 ENZB ATOM 3042 HB3 ALA 7 -14.405 1.163 -1.724 0.00 0.00 ENZB ATOM 3043 C ALA 7 -15.203 -0.680 0.044 0.00 0.00 ENZB ATOM 3044 O ALA 7 -14.610 -0.746 1.133 0.00 0.00 ENZB ATOM 3045 N SER 8 -16.575 -0.596 0.148 0.00 0.00 ENZB ATOM 3046 HN SER 8 -17.125 -0.984 -0.592 0.00 0.00 ENZB ATOM 3047 CA SER 8 -17.267 -0.080 1.352 0.00 0.00 ENZB ATOM 3048 HA SER 8 -16.926 0.912 1.617 0.00 0.00 ENZB ATOM 3049 CB SER 8 -18.798 0.067 1.182 0.00 0.00 ENZB ATOM 3050 HB1 SER 8 -18.872 0.640 0.230 0.00 0.00 ENZB ATOM 3051 HB2 SER 8 -19.299 -0.905 0.974 0.00 0.00 ENZB ATOM 3052 OG SER 8 -19.511 0.857 2.177 0.00 0.00 ENZB ATOM 3053 HG1 SER 8 -20.388 0.462 2.088 0.00 0.00 ENZB ATOM 3054 C SER 8 -17.156 -1.096 2.589 0.00 0.00 ENZB ATOM 3055 O SER 8 -16.728 -0.827 3.725 0.00 0.00 ENZB ATOM 3056 N THR 9 -17.553 -2.367 2.356 0.00 0.00 ENZB ATOM 3057 HN THR 9 -17.938 -2.685 1.491 0.00 0.00 ENZB ATOM 3058 CA THR 9 -17.470 -3.399 3.333 0.00 0.00 ENZB ATOM 3059 HA THR 9 -17.864 -3.066 4.284 0.00 0.00 ENZB ATOM 3060 CB THR 9 -18.299 -4.602 2.919 0.00 0.00 ENZB ATOM 3061 HB THR 9 -18.185 -5.555 3.490 0.00 0.00 ENZB ATOM 3062 OG1 THR 9 -17.969 -5.078 1.572 0.00 0.00 ENZB ATOM 3063 HG1 THR 9 -18.445 -5.894 1.380 0.00 0.00 ENZB ATOM 3064 CG2 THR 9 -19.742 -4.177 2.833 0.00 0.00 ENZB ATOM 3065 HG21 THR 9 -20.484 -4.959 2.564 0.00 0.00 ENZB ATOM 3066 HG22 THR 9 -20.058 -3.869 3.852 0.00 0.00 ENZB ATOM 3067 HG23 THR 9 -20.092 -3.427 2.094 0.00 0.00 ENZB ATOM 3068 C THR 9 -16.103 -3.873 3.577 0.00 0.00 ENZB ATOM 3069 O THR 9 -15.720 -4.226 4.721 0.00 0.00 ENZB ATOM 3070 N GLY 10 -15.255 -3.860 2.500 0.00 0.00 ENZB ATOM 3071 HN GLY 10 -15.567 -3.623 1.580 0.00 0.00 ENZB ATOM 3072 CA GLY 10 -13.872 -4.116 2.747 0.00 0.00 ENZB ATOM 3073 HA1 GLY 10 -13.431 -4.006 1.768 0.00 0.00 ENZB ATOM 3074 HA2 GLY 10 -13.836 -5.129 3.126 0.00 0.00 ENZB ATOM 3075 C GLY 10 -13.145 -3.212 3.626 0.00 0.00 ENZB ATOM 3076 O GLY 10 -12.271 -3.631 4.407 0.00 0.00 ENZB ATOM 3077 N PHE 11 -13.422 -1.884 3.469 0.00 0.00 ENZB ATOM 3078 HN PHE 11 -14.169 -1.693 2.832 0.00 0.00 ENZB ATOM 3079 CA PHE 11 -12.887 -0.827 4.227 0.00 0.00 ENZB ATOM 3080 HA PHE 11 -11.821 -1.000 4.143 0.00 0.00 ENZB ATOM 3081 CB PHE 11 -13.269 0.603 3.610 0.00 0.00 ENZB ATOM 3082 HB1 PHE 11 -12.509 0.692 2.804 0.00 0.00 ENZB ATOM 3083 HB2 PHE 11 -14.264 0.628 3.115 0.00 0.00 ENZB ATOM 3084 CG PHE 11 -12.993 1.716 4.553 0.00 0.00 ENZB ATOM 3085 CD1 PHE 11 -11.644 2.051 4.999 0.00 0.00 ENZB ATOM 3086 HD1 PHE 11 -10.835 1.473 4.572 0.00 0.00 ENZB ATOM 3087 CE1 PHE 11 -11.458 3.027 5.985 0.00 0.00 ENZB ATOM 3088 HE1 PHE 11 -10.476 3.309 6.335 0.00 0.00 ENZB ATOM 3089 CZ PHE 11 -12.505 3.667 6.498 0.00 0.00 ENZB ATOM 3090 HZ PHE 11 -12.214 4.383 7.252 0.00 0.00 ENZB ATOM 3091 CD2 PHE 11 -14.056 2.361 5.183 0.00 0.00 ENZB ATOM 3092 HD2 PHE 11 -15.096 2.091 5.065 0.00 0.00 ENZB ATOM 3093 CE2 PHE 11 -13.789 3.364 6.142 0.00 0.00 ENZB ATOM 3094 HE2 PHE 11 -14.598 3.857 6.664 0.00 0.00 ENZB ATOM 3095 C PHE 11 -13.309 -1.000 5.714 0.00 0.00 ENZB ATOM 3096 O PHE 11 -12.460 -1.092 6.591 0.00 0.00 ENZB ATOM 3097 N ALA 12 -14.621 -1.177 5.974 0.00 0.00 ENZB ATOM 3098 HN ALA 12 -15.209 -1.285 5.173 0.00 0.00 ENZB ATOM 3099 CA ALA 12 -15.272 -1.327 7.251 0.00 0.00 ENZB ATOM 3100 HA ALA 12 -15.173 -0.529 7.976 0.00 0.00 ENZB ATOM 3101 CB ALA 12 -16.803 -1.643 6.944 0.00 0.00 ENZB ATOM 3102 HB1 ALA 12 -17.272 -0.759 6.461 0.00 0.00 ENZB ATOM 3103 HB2 ALA 12 -17.008 -2.369 6.127 0.00 0.00 ENZB ATOM 3104 HB3 ALA 12 -17.487 -1.766 7.810 0.00 0.00 ENZB ATOM 3105 C ALA 12 -14.745 -2.569 8.011 0.00 0.00 ENZB ATOM 3106 O ALA 12 -14.624 -2.596 9.239 0.00 0.00 ENZB ATOM 3107 N GLU 13 -14.378 -3.586 7.223 0.00 0.00 ENZB ATOM 3108 HN GLU 13 -14.529 -3.582 6.239 0.00 0.00 ENZB ATOM 3109 CA GLU 13 -13.800 -4.850 7.718 0.00 0.00 ENZB ATOM 3110 HA GLU 13 -14.347 -5.117 8.614 0.00 0.00 ENZB ATOM 3111 CB GLU 13 -14.041 -6.055 6.728 0.00 0.00 ENZB ATOM 3112 HB1 GLU 13 -15.119 -6.014 6.453 0.00 0.00 ENZB ATOM 3113 HB2 GLU 13 -13.468 -5.864 5.793 0.00 0.00 ENZB ATOM 3114 CG GLU 13 -13.587 -7.438 7.226 0.00 0.00 ENZB ATOM 3115 HG1 GLU 13 -13.963 -8.176 6.494 0.00 0.00 ENZB ATOM 3116 HG2 GLU 13 -12.485 -7.487 7.329 0.00 0.00 ENZB ATOM 3117 CD GLU 13 -14.204 -7.809 8.586 0.00 0.00 ENZB ATOM 3118 OE1 GLU 13 -13.776 -7.682 9.700 0.00 0.00 ENZB ATOM 3119 OE2 GLU 13 -15.333 -8.507 8.415 0.00 0.00 ENZB ATOM 3120 HE2 GLU 13 -15.548 -8.962 9.233 0.00 0.00 ENZB ATOM 3121 C GLU 13 -12.293 -4.628 8.230 0.00 0.00 ENZB ATOM 3122 O GLU 13 -12.011 -4.971 9.364 0.00 0.00 ENZB ATOM 3123 N LEU 14 -11.397 -4.019 7.367 0.00 0.00 ENZB ATOM 3124 HN LEU 14 -11.723 -3.778 6.455 0.00 0.00 ENZB ATOM 3125 CA LEU 14 -10.071 -3.594 7.682 0.00 0.00 ENZB ATOM 3126 HA LEU 14 -9.514 -4.420 8.105 0.00 0.00 ENZB ATOM 3127 CB LEU 14 -9.250 -3.117 6.389 0.00 0.00 ENZB ATOM 3128 HB1 LEU 14 -9.802 -2.264 5.931 0.00 0.00 ENZB ATOM 3129 HB2 LEU 14 -8.236 -2.777 6.694 0.00 0.00 ENZB ATOM 3130 CG LEU 14 -9.057 -4.148 5.328 0.00 0.00 ENZB ATOM 3131 HG LEU 14 -10.051 -4.529 4.988 0.00 0.00 ENZB ATOM 3132 CD1 LEU 14 -8.610 -3.505 4.019 0.00 0.00 ENZB ATOM 3133 HD11 LEU 14 -7.581 -3.104 4.144 0.00 0.00 ENZB ATOM 3134 HD12 LEU 14 -8.608 -4.298 3.241 0.00 0.00 ENZB ATOM 3135 HD13 LEU 14 -9.377 -2.763 3.712 0.00 0.00 ENZB ATOM 3136 CD2 LEU 14 -8.191 -5.410 5.697 0.00 0.00 ENZB ATOM 3137 HD21 LEU 14 -7.170 -5.093 5.999 0.00 0.00 ENZB ATOM 3138 HD22 LEU 14 -8.496 -6.014 6.576 0.00 0.00 ENZB ATOM 3139 HD23 LEU 14 -8.201 -6.059 4.793 0.00 0.00 ENZB ATOM 3140 C LEU 14 -9.857 -2.582 8.712 0.00 0.00 ENZB ATOM 3141 O LEU 14 -8.929 -2.735 9.506 0.00 0.00 ENZB ATOM 3142 N LEU 15 -10.778 -1.577 8.744 0.00 0.00 ENZB ATOM 3143 HN LEU 15 -11.289 -1.467 7.893 0.00 0.00 ENZB ATOM 3144 CA LEU 15 -11.097 -0.745 9.858 0.00 0.00 ENZB ATOM 3145 HA LEU 15 -10.143 -0.233 9.902 0.00 0.00 ENZB ATOM 3146 CB LEU 15 -12.268 0.256 9.533 0.00 0.00 ENZB ATOM 3147 HB1 LEU 15 -11.911 0.788 8.621 0.00 0.00 ENZB ATOM 3148 HB2 LEU 15 -13.213 -0.276 9.282 0.00 0.00 ENZB ATOM 3149 CG LEU 15 -12.678 1.249 10.593 0.00 0.00 ENZB ATOM 3150 HG LEU 15 -13.056 0.695 11.486 0.00 0.00 ENZB ATOM 3151 CD1 LEU 15 -11.542 2.244 10.969 0.00 0.00 ENZB ATOM 3152 HD11 LEU 15 -11.740 2.886 11.855 0.00 0.00 ENZB ATOM 3153 HD12 LEU 15 -10.640 1.641 11.201 0.00 0.00 ENZB ATOM 3154 HD13 LEU 15 -11.342 3.016 10.196 0.00 0.00 ENZB ATOM 3155 CD2 LEU 15 -13.826 2.046 9.946 0.00 0.00 ENZB ATOM 3156 HD21 LEU 15 -14.659 1.402 9.586 0.00 0.00 ENZB ATOM 3157 HD22 LEU 15 -14.199 2.801 10.667 0.00 0.00 ENZB ATOM 3158 HD23 LEU 15 -13.342 2.589 9.106 0.00 0.00 ENZB ATOM 3159 C LEU 15 -11.356 -1.373 11.185 0.00 0.00 ENZB ATOM 3160 O LEU 15 -10.595 -1.179 12.157 0.00 0.00 ENZB ATOM 3161 N LYS 16 -12.375 -2.268 11.263 0.00 0.00 ENZB ATOM 3162 HN LYS 16 -12.975 -2.404 10.472 0.00 0.00 ENZB ATOM 3163 CA LYS 16 -12.653 -3.129 12.413 0.00 0.00 ENZB ATOM 3164 HA LYS 16 -12.907 -2.485 13.244 0.00 0.00 ENZB ATOM 3165 CB LYS 16 -13.841 -4.090 12.132 0.00 0.00 ENZB ATOM 3166 HB1 LYS 16 -14.615 -3.476 11.616 0.00 0.00 ENZB ATOM 3167 HB2 LYS 16 -13.552 -4.880 11.407 0.00 0.00 ENZB ATOM 3168 CG LYS 16 -14.550 -4.704 13.365 0.00 0.00 ENZB ATOM 3169 HG1 LYS 16 -14.749 -3.894 14.102 0.00 0.00 ENZB ATOM 3170 HG2 LYS 16 -15.543 -5.077 13.018 0.00 0.00 ENZB ATOM 3171 CD LYS 16 -13.869 -5.874 14.110 0.00 0.00 ENZB ATOM 3172 HD1 LYS 16 -12.973 -5.507 14.656 0.00 0.00 ENZB ATOM 3173 HD2 LYS 16 -14.595 -6.235 14.877 0.00 0.00 ENZB ATOM 3174 CE LYS 16 -13.471 -7.049 13.211 0.00 0.00 ENZB ATOM 3175 HE1 LYS 16 -14.312 -7.327 12.537 0.00 0.00 ENZB ATOM 3176 HE2 LYS 16 -12.591 -6.782 12.587 0.00 0.00 ENZB ATOM 3177 NZ LYS 16 -13.126 -8.240 14.009 0.00 0.00 ENZB ATOM 3178 HZ1 LYS 16 -14.016 -8.723 14.303 0.00 0.00 ENZB ATOM 3179 HZ2 LYS 16 -12.536 -8.872 13.411 0.00 0.00 ENZB ATOM 3180 HZ3 LYS 16 -12.569 -8.029 14.876 0.00 0.00 ENZB ATOM 3181 C LYS 16 -11.457 -3.960 12.836 0.00 0.00 ENZB ATOM 3182 O LYS 16 -11.079 -3.967 14.002 0.00 0.00 ENZB ATOM 3183 N ASP 17 -10.805 -4.664 11.891 0.00 0.00 ENZB ATOM 3184 HN ASP 17 -11.165 -4.689 10.952 0.00 0.00 ENZB ATOM 3185 CA ASP 17 -9.630 -5.476 12.137 0.00 0.00 ENZB ATOM 3186 HA ASP 17 -9.908 -6.185 12.907 0.00 0.00 ENZB ATOM 3187 CB ASP 17 -9.275 -6.239 10.831 0.00 0.00 ENZB ATOM 3188 HB1 ASP 17 -10.215 -6.641 10.391 0.00 0.00 ENZB ATOM 3189 HB2 ASP 17 -8.802 -5.568 10.088 0.00 0.00 ENZB ATOM 3190 CG ASP 17 -8.383 -7.424 11.102 0.00 0.00 ENZB ATOM 3191 OD1 ASP 17 -8.626 -8.140 12.107 0.00 0.00 ENZB ATOM 3192 OD2 ASP 17 -7.419 -7.667 10.332 0.00 0.00 ENZB ATOM 3193 C ASP 17 -8.459 -4.657 12.698 0.00 0.00 ENZB ATOM 3194 O ASP 17 -7.773 -5.071 13.633 0.00 0.00 ENZB ATOM 3195 N ARG 18 -8.233 -3.430 12.191 0.00 0.00 ENZB ATOM 3196 HN ARG 18 -8.742 -3.116 11.386 0.00 0.00 ENZB ATOM 3197 CA ARG 18 -7.269 -2.517 12.773 0.00 0.00 ENZB ATOM 3198 HA ARG 18 -6.375 -3.096 12.956 0.00 0.00 ENZB ATOM 3199 CB ARG 18 -6.900 -1.372 11.797 0.00 0.00 ENZB ATOM 3200 HB1 ARG 18 -6.678 -1.822 10.803 0.00 0.00 ENZB ATOM 3201 HB2 ARG 18 -7.786 -0.712 11.663 0.00 0.00 ENZB ATOM 3202 CG ARG 18 -5.681 -0.528 12.236 0.00 0.00 ENZB ATOM 3203 HG1 ARG 18 -5.571 0.320 11.522 0.00 0.00 ENZB ATOM 3204 HG2 ARG 18 -5.893 -0.098 13.240 0.00 0.00 ENZB ATOM 3205 CD ARG 18 -4.347 -1.290 12.283 0.00 0.00 ENZB ATOM 3206 HD1 ARG 18 -4.401 -2.164 12.969 0.00 0.00 ENZB ATOM 3207 HD2 ARG 18 -4.048 -1.635 11.267 0.00 0.00 ENZB ATOM 3208 NE ARG 18 -3.331 -0.329 12.807 0.00 0.00 ENZB ATOM 3209 HE ARG 18 -3.572 0.612 13.041 0.00 0.00 ENZB ATOM 3210 CZ ARG 18 -2.034 -0.619 12.983 0.00 0.00 ENZB ATOM 3211 NH1 ARG 18 -1.253 0.357 13.439 0.00 0.00 ENZB ATOM 3212 HH11 ARG 18 -0.274 0.221 13.615 0.00 0.00 ENZB ATOM 3213 HH12 ARG 18 -1.671 1.243 13.631 0.00 0.00 ENZB ATOM 3214 NH2 ARG 18 -1.515 -1.811 12.740 0.00 0.00 ENZB ATOM 3215 HH21 ARG 18 -0.512 -1.903 12.745 0.00 0.00 ENZB ATOM 3216 HH22 ARG 18 -2.067 -2.542 12.319 0.00 0.00 ENZB ATOM 3217 C ARG 18 -7.701 -1.967 14.135 0.00 0.00 ENZB ATOM 3218 O ARG 18 -6.886 -1.915 15.055 0.00 0.00 ENZB ATOM 3219 N ARG 19 -8.982 -1.572 14.343 0.00 0.00 ENZB ATOM 3220 HN ARG 19 -9.627 -1.418 13.598 0.00 0.00 ENZB ATOM 3221 CA ARG 19 -9.482 -1.185 15.683 0.00 0.00 ENZB ATOM 3222 HA ARG 19 -8.931 -0.325 16.042 0.00 0.00 ENZB ATOM 3223 CB ARG 19 -10.989 -0.821 15.574 0.00 0.00 ENZB ATOM 3224 HB1 ARG 19 -11.160 -0.377 14.565 0.00 0.00 ENZB ATOM 3225 HB2 ARG 19 -11.468 -1.824 15.504 0.00 0.00 ENZB ATOM 3226 CG ARG 19 -11.501 -0.025 16.735 0.00 0.00 ENZB ATOM 3227 HG1 ARG 19 -11.038 -0.482 17.639 0.00 0.00 ENZB ATOM 3228 HG2 ARG 19 -11.217 1.051 16.778 0.00 0.00 ENZB ATOM 3229 CD ARG 19 -13.033 0.135 16.901 0.00 0.00 ENZB ATOM 3230 HD1 ARG 19 -13.240 0.424 17.956 0.00 0.00 ENZB ATOM 3231 HD2 ARG 19 -13.420 0.978 16.283 0.00 0.00 ENZB ATOM 3232 NE ARG 19 -13.702 -1.144 16.615 0.00 0.00 ENZB ATOM 3233 HE ARG 19 -14.346 -1.237 15.847 0.00 0.00 ENZB ATOM 3234 CZ ARG 19 -13.928 -2.161 17.440 0.00 0.00 ENZB ATOM 3235 NH1 ARG 19 -13.231 -2.264 18.604 0.00 0.00 ENZB ATOM 3236 HH11 ARG 19 -13.413 -3.065 19.156 0.00 0.00 ENZB ATOM 3237 HH12 ARG 19 -12.703 -1.489 18.958 0.00 0.00 ENZB ATOM 3238 NH2 ARG 19 -14.892 -3.043 17.162 0.00 0.00 ENZB ATOM 3239 HH21 ARG 19 -15.151 -3.744 17.812 0.00 0.00 ENZB ATOM 3240 HH22 ARG 19 -15.518 -2.878 16.412 0.00 0.00 ENZB ATOM 3241 C ARG 19 -9.459 -2.289 16.708 0.00 0.00 ENZB ATOM 3242 O ARG 19 -9.175 -1.978 17.871 0.00 0.00 ENZB ATOM 3243 N GLU 20 -9.624 -3.560 16.299 0.00 0.00 ENZB ATOM 3244 HN GLU 20 -9.967 -3.718 15.366 0.00 0.00 ENZB ATOM 3245 CA GLU 20 -9.355 -4.767 17.059 0.00 0.00 ENZB ATOM 3246 HA GLU 20 -9.875 -4.698 18.005 0.00 0.00 ENZB ATOM 3247 CB GLU 20 -9.915 -5.968 16.254 0.00 0.00 ENZB ATOM 3248 HB1 GLU 20 -11.020 -5.831 16.213 0.00 0.00 ENZB ATOM 3249 HB2 GLU 20 -9.543 -5.913 15.209 0.00 0.00 ENZB ATOM 3250 CG GLU 20 -9.589 -7.375 16.809 0.00 0.00 ENZB ATOM 3251 HG1 GLU 20 -8.534 -7.646 16.589 0.00 0.00 ENZB ATOM 3252 HG2 GLU 20 -9.725 -7.382 17.908 0.00 0.00 ENZB ATOM 3253 CD GLU 20 -10.500 -8.424 16.204 0.00 0.00 ENZB ATOM 3254 OE1 GLU 20 -11.744 -8.269 16.330 0.00 0.00 ENZB ATOM 3255 OE2 GLU 20 -10.004 -9.422 15.622 0.00 0.00 ENZB ATOM 3256 C GLU 20 -7.876 -4.985 17.383 0.00 0.00 ENZB ATOM 3257 O GLU 20 -7.535 -5.567 18.409 0.00 0.00 ENZB ATOM 3258 N GLN 21 -6.944 -4.504 16.537 0.00 0.00 ENZB ATOM 3259 HN GLN 21 -7.234 -4.065 15.689 0.00 0.00 ENZB ATOM 3260 CA GLN 21 -5.513 -4.627 16.766 0.00 0.00 ENZB ATOM 3261 HA GLN 21 -5.337 -5.597 17.212 0.00 0.00 ENZB ATOM 3262 CB GLN 21 -4.732 -4.547 15.427 0.00 0.00 ENZB ATOM 3263 HB1 GLN 21 -5.168 -5.303 14.733 0.00 0.00 ENZB ATOM 3264 HB2 GLN 21 -4.893 -3.552 14.960 0.00 0.00 ENZB ATOM 3265 CG GLN 21 -3.209 -4.809 15.536 0.00 0.00 ENZB ATOM 3266 HG1 GLN 21 -2.753 -4.764 14.523 0.00 0.00 ENZB ATOM 3267 HG2 GLN 21 -2.715 -4.045 16.168 0.00 0.00 ENZB ATOM 3268 CD GLN 21 -2.929 -6.204 16.095 0.00 0.00 ENZB ATOM 3269 OE1 GLN 21 -2.955 -7.204 15.372 0.00 0.00 ENZB ATOM 3270 NE2 GLN 21 -2.704 -6.286 17.424 0.00 0.00 ENZB ATOM 3271 HE21 GLN 21 -2.693 -7.211 17.821 0.00 0.00 ENZB ATOM 3272 HE22 GLN 21 -2.809 -5.480 18.004 0.00 0.00 ENZB ATOM 3273 C GLN 21 -4.969 -3.587 17.744 0.00 0.00 ENZB ATOM 3274 O GLN 21 -4.338 -3.920 18.743 0.00 0.00 ENZB ATOM 3275 N VAL 22 -5.191 -2.283 17.477 0.00 0.00 ENZB ATOM 3276 HN VAL 22 -5.553 -2.010 16.588 0.00 0.00 ENZB ATOM 3277 CA VAL 22 -4.744 -1.161 18.293 0.00 0.00 ENZB ATOM 3278 HA VAL 22 -3.844 -1.377 18.856 0.00 0.00 ENZB ATOM 3279 CB VAL 22 -4.439 0.115 17.525 0.00 0.00 ENZB ATOM 3280 HB VAL 22 -4.206 0.941 18.243 0.00 0.00 ENZB ATOM 3281 CG1 VAL 22 -3.192 -0.057 16.663 0.00 0.00 ENZB ATOM 3282 HG11 VAL 22 -2.253 -0.383 17.162 0.00 0.00 ENZB ATOM 3283 HG12 VAL 22 -3.362 -0.875 15.933 0.00 0.00 ENZB ATOM 3284 HG13 VAL 22 -2.962 0.890 16.127 0.00 0.00 ENZB ATOM 3285 CG2 VAL 22 -5.510 0.671 16.589 0.00 0.00 ENZB ATOM 3286 HG21 VAL 22 -5.375 1.745 16.341 0.00 0.00 ENZB ATOM 3287 HG22 VAL 22 -5.550 0.109 15.630 0.00 0.00 ENZB ATOM 3288 HG23 VAL 22 -6.555 0.490 16.912 0.00 0.00 ENZB ATOM 3289 C VAL 22 -5.763 -0.892 19.437 0.00 0.00 ENZB ATOM 3290 O VAL 22 -5.637 0.128 20.159 0.00 0.00 ENZB ATOM 3291 N LYS 23 -6.748 -1.792 19.658 0.00 0.00 ENZB ATOM 3292 HN LYS 23 -6.833 -2.536 19.001 0.00 0.00 ENZB ATOM 3293 CA LYS 23 -7.629 -1.915 20.823 0.00 0.00 ENZB ATOM 3294 HA LYS 23 -8.375 -2.637 20.526 0.00 0.00 ENZB ATOM 3295 CB LYS 23 -6.892 -2.509 22.062 0.00 0.00 ENZB ATOM 3296 HB1 LYS 23 -6.149 -1.757 22.413 0.00 0.00 ENZB ATOM 3297 HB2 LYS 23 -7.619 -2.673 22.890 0.00 0.00 ENZB ATOM 3298 CG LYS 23 -6.153 -3.838 21.829 0.00 0.00 ENZB ATOM 3299 HG1 LYS 23 -5.423 -3.708 20.999 0.00 0.00 ENZB ATOM 3300 HG2 LYS 23 -5.562 -4.072 22.746 0.00 0.00 ENZB ATOM 3301 CD LYS 23 -7.062 -5.032 21.531 0.00 0.00 ENZB ATOM 3302 HD1 LYS 23 -7.710 -5.241 22.408 0.00 0.00 ENZB ATOM 3303 HD2 LYS 23 -7.716 -4.788 20.670 0.00 0.00 ENZB ATOM 3304 CE LYS 23 -6.248 -6.274 21.202 0.00 0.00 ENZB ATOM 3305 HE1 LYS 23 -5.535 -6.044 20.410 0.00 0.00 ENZB ATOM 3306 HE2 LYS 23 -5.692 -6.596 22.078 0.00 0.00 ENZB ATOM 3307 NZ LYS 23 -7.084 -7.439 20.732 0.00 0.00 ENZB ATOM 3308 HZ1 LYS 23 -8.047 -7.424 21.114 0.00 0.00 ENZB ATOM 3309 HZ2 LYS 23 -7.185 -7.402 19.713 0.00 0.00 ENZB ATOM 3310 HZ3 LYS 23 -6.615 -8.350 21.016 0.00 0.00 ENZB ATOM 3311 C LYS 23 -8.451 -0.704 21.275 0.00 0.00 ENZB ATOM 3312 O LYS 23 -8.583 -0.444 22.473 0.00 0.00 ENZB ATOM 3313 N MET 24 -9.081 0.052 20.351 0.00 0.00 ENZB ATOM 3314 HN MET 24 -8.996 -0.123 19.373 0.00 0.00 ENZB ATOM 3315 CA MET 24 -9.993 1.092 20.703 0.00 0.00 ENZB ATOM 3316 HA MET 24 -9.658 1.468 21.662 0.00 0.00 ENZB ATOM 3317 CB MET 24 -9.718 2.218 19.687 0.00 0.00 ENZB ATOM 3318 HB1 MET 24 -10.089 1.871 18.694 0.00 0.00 ENZB ATOM 3319 HB2 MET 24 -10.304 3.115 19.983 0.00 0.00 ENZB ATOM 3320 CG MET 24 -8.291 2.724 19.656 0.00 0.00 ENZB ATOM 3321 HG1 MET 24 -7.987 2.866 20.715 0.00 0.00 ENZB ATOM 3322 HG2 MET 24 -7.571 1.967 19.276 0.00 0.00 ENZB ATOM 3323 SD MET 24 -8.185 4.313 18.848 0.00 0.00 ENZB ATOM 3324 CE MET 24 -6.464 4.742 19.177 0.00 0.00 ENZB ATOM 3325 HE1 MET 24 -6.184 4.795 20.250 0.00 0.00 ENZB ATOM 3326 HE2 MET 24 -5.828 3.971 18.689 0.00 0.00 ENZB ATOM 3327 HE3 MET 24 -6.167 5.650 18.607 0.00 0.00 ENZB ATOM 3328 C MET 24 -11.436 0.878 20.783 0.00 0.00 ENZB ATOM 3329 O MET 24 -11.994 0.073 20.012 0.00 0.00 ENZB ATOM 3330 N ASP 25 -12.070 1.494 21.798 0.00 0.00 ENZB ATOM 3331 HN ASP 25 -11.629 2.266 22.246 0.00 0.00 ENZB ATOM 3332 CA ASP 25 -13.490 1.204 21.843 0.00 0.00 ENZB ATOM 3333 HA ASP 25 -13.701 0.192 21.511 0.00 0.00 ENZB ATOM 3334 CB ASP 25 -14.114 1.267 23.352 0.00 0.00 ENZB ATOM 3335 HB1 ASP 25 -15.220 1.237 23.287 0.00 0.00 ENZB ATOM 3336 HB2 ASP 25 -13.758 0.431 23.985 0.00 0.00 ENZB ATOM 3337 CG ASP 25 -13.791 2.580 24.161 0.00 0.00 ENZB ATOM 3338 OD1 ASP 25 -14.474 3.596 23.954 0.00 0.00 ENZB ATOM 3339 OD2 ASP 25 -12.827 2.568 24.969 0.00 0.00 ENZB ATOM 3340 C ASP 25 -14.264 2.228 21.022 0.00 0.00 ENZB ATOM 3341 O ASP 25 -13.782 3.271 20.575 0.00 0.00 ENZB ATOM 3342 N HSP 26 -15.559 1.953 20.702 0.00 0.00 ENZB ATOM 3343 HN HSP 26 -15.905 1.030 20.894 0.00 0.00 ENZB ATOM 3344 CA HSP 26 -16.329 2.752 19.934 0.00 0.00 ENZB ATOM 3345 HA HSP 26 -15.842 2.835 18.971 0.00 0.00 ENZB ATOM 3346 CB HSP 26 -17.743 2.247 19.592 0.00 0.00 ENZB ATOM 3347 HB1 HSP 26 -18.230 2.046 20.571 0.00 0.00 ENZB ATOM 3348 HB2 HSP 26 -18.378 2.907 18.961 0.00 0.00 ENZB ATOM 3349 CD2 HSP 26 -16.767 0.321 18.136 0.00 0.00 ENZB ATOM 3350 HD2 HSP 26 -15.750 0.702 18.120 0.00 0.00 ENZB ATOM 3351 CG HSP 26 -17.731 0.945 18.816 0.00 0.00 ENZB ATOM 3352 NE2 HSP 26 -17.258 -0.787 17.536 0.00 0.00 ENZB ATOM 3353 HE2 HSP 26 -16.820 -1.298 16.791 0.00 0.00 ENZB ATOM 3354 ND1 HSP 26 -18.823 0.218 18.546 0.00 0.00 ENZB ATOM 3355 HD1 HSP 26 -19.663 0.570 18.962 0.00 0.00 ENZB ATOM 3356 CE1 HSP 26 -18.549 -0.851 17.756 0.00 0.00 ENZB ATOM 3357 HE1 HSP 26 -19.224 -1.618 17.405 0.00 0.00 ENZB ATOM 3358 C HSP 26 -16.479 4.158 20.526 0.00 0.00 ENZB ATOM 3359 O HSP 26 -16.221 5.167 19.854 0.00 0.00 ENZB ATOM 3360 N ALA 27 -16.738 4.337 21.886 0.00 0.00 ENZB ATOM 3361 HN ALA 27 -16.910 3.535 22.458 0.00 0.00 ENZB ATOM 3362 CA ALA 27 -16.950 5.687 22.427 0.00 0.00 ENZB ATOM 3363 HA ALA 27 -17.796 6.043 21.848 0.00 0.00 ENZB ATOM 3364 CB ALA 27 -17.374 5.704 23.906 0.00 0.00 ENZB ATOM 3365 HB1 ALA 27 -16.626 5.214 24.563 0.00 0.00 ENZB ATOM 3366 HB2 ALA 27 -17.581 6.733 24.275 0.00 0.00 ENZB ATOM 3367 HB3 ALA 27 -18.345 5.172 24.003 0.00 0.00 ENZB ATOM 3368 C ALA 27 -15.802 6.626 22.304 0.00 0.00 ENZB ATOM 3369 O ALA 27 -15.985 7.849 22.153 0.00 0.00 ENZB ATOM 3370 N ALA 28 -14.537 6.129 22.538 0.00 0.00 ENZB ATOM 3371 HN ALA 28 -14.442 5.134 22.579 0.00 0.00 ENZB ATOM 3372 CA ALA 28 -13.295 6.771 22.532 0.00 0.00 ENZB ATOM 3373 HA ALA 28 -13.318 7.668 23.141 0.00 0.00 ENZB ATOM 3374 CB ALA 28 -12.153 5.725 22.901 0.00 0.00 ENZB ATOM 3375 HB1 ALA 28 -12.082 5.646 24.006 0.00 0.00 ENZB ATOM 3376 HB2 ALA 28 -12.405 4.704 22.538 0.00 0.00 ENZB ATOM 3377 HB3 ALA 28 -11.166 6.070 22.525 0.00 0.00 ENZB ATOM 3378 C ALA 28 -12.917 7.158 21.110 0.00 0.00 ENZB ATOM 3379 O ALA 28 -12.766 8.359 20.803 0.00 0.00 ENZB ATOM 3380 N LEU 29 -12.841 6.194 20.149 0.00 0.00 ENZB ATOM 3381 HN LEU 29 -12.995 5.235 20.382 0.00 0.00 ENZB ATOM 3382 CA LEU 29 -12.497 6.358 18.713 0.00 0.00 ENZB ATOM 3383 HA LEU 29 -11.570 6.912 18.640 0.00 0.00 ENZB ATOM 3384 CB LEU 29 -12.521 4.975 17.888 0.00 0.00 ENZB ATOM 3385 HB1 LEU 29 -11.896 4.220 18.417 0.00 0.00 ENZB ATOM 3386 HB2 LEU 29 -13.509 4.467 17.822 0.00 0.00 ENZB ATOM 3387 CG LEU 29 -11.979 5.082 16.458 0.00 0.00 ENZB ATOM 3388 HG LEU 29 -12.755 5.755 16.018 0.00 0.00 ENZB ATOM 3389 CD1 LEU 29 -10.652 5.733 16.301 0.00 0.00 ENZB ATOM 3390 HD11 LEU 29 -10.668 6.753 16.740 0.00 0.00 ENZB ATOM 3391 HD12 LEU 29 -9.857 5.045 16.657 0.00 0.00 ENZB ATOM 3392 HD13 LEU 29 -10.375 5.933 15.243 0.00 0.00 ENZB ATOM 3393 CD2 LEU 29 -12.009 3.729 15.781 0.00 0.00 ENZB ATOM 3394 HD21 LEU 29 -13.012 3.323 16.035 0.00 0.00 ENZB ATOM 3395 HD22 LEU 29 -11.891 3.695 14.679 0.00 0.00 ENZB ATOM 3396 HD23 LEU 29 -11.228 3.030 16.151 0.00 0.00 ENZB ATOM 3397 C LEU 29 -13.487 7.371 18.034 0.00 0.00 ENZB ATOM 3398 O LEU 29 -13.095 8.218 17.241 0.00 0.00 ENZB ATOM 3399 N ALA 30 -14.786 7.371 18.482 0.00 0.00 ENZB ATOM 3400 HN ALA 30 -15.156 6.584 18.975 0.00 0.00 ENZB ATOM 3401 CA ALA 30 -15.741 8.432 18.174 0.00 0.00 ENZB ATOM 3402 HA ALA 30 -15.817 8.446 17.093 0.00 0.00 ENZB ATOM 3403 CB ALA 30 -17.083 8.078 18.861 0.00 0.00 ENZB ATOM 3404 HB1 ALA 30 -17.714 8.983 18.730 0.00 0.00 ENZB ATOM 3405 HB2 ALA 30 -17.705 7.379 18.259 0.00 0.00 ENZB ATOM 3406 HB3 ALA 30 -17.030 7.703 19.905 0.00 0.00 ENZB ATOM 3407 C ALA 30 -15.281 9.781 18.706 0.00 0.00 ENZB ATOM 3408 O ALA 30 -15.243 10.600 17.765 0.00 0.00 ENZB ATOM 3409 N SER 31 -14.929 10.066 19.978 0.00 0.00 ENZB ATOM 3410 HN SER 31 -14.908 9.374 20.698 0.00 0.00 ENZB ATOM 3411 CA SER 31 -14.541 11.359 20.508 0.00 0.00 ENZB ATOM 3412 HA SER 31 -15.263 12.109 20.213 0.00 0.00 ENZB ATOM 3413 CB SER 31 -14.533 11.341 22.035 0.00 0.00 ENZB ATOM 3414 HB1 SER 31 -15.433 10.754 22.331 0.00 0.00 ENZB ATOM 3415 HB2 SER 31 -13.667 10.794 22.469 0.00 0.00 ENZB ATOM 3416 OG SER 31 -14.601 12.662 22.481 0.00 0.00 ENZB ATOM 3417 HG1 SER 31 -14.705 12.649 23.441 0.00 0.00 ENZB ATOM 3418 C SER 31 -13.192 11.911 19.931 0.00 0.00 ENZB ATOM 3419 O SER 31 -13.046 13.079 19.662 0.00 0.00 ENZB ATOM 3420 N LEU 32 -12.236 11.006 19.716 0.00 0.00 ENZB ATOM 3421 HN LEU 32 -12.389 10.047 19.947 0.00 0.00 ENZB ATOM 3422 CA LEU 32 -11.076 11.358 18.956 0.00 0.00 ENZB ATOM 3423 HA LEU 32 -10.758 12.285 19.415 0.00 0.00 ENZB ATOM 3424 CB LEU 32 -10.141 10.167 18.886 0.00 0.00 ENZB ATOM 3425 HB1 LEU 32 -10.606 9.428 18.193 0.00 0.00 ENZB ATOM 3426 HB2 LEU 32 -9.195 10.443 18.372 0.00 0.00 ENZB ATOM 3427 CG LEU 32 -9.739 9.576 20.211 0.00 0.00 ENZB ATOM 3428 HG LEU 32 -10.638 9.209 20.764 0.00 0.00 ENZB ATOM 3429 CD1 LEU 32 -8.851 8.347 19.907 0.00 0.00 ENZB ATOM 3430 HD11 LEU 32 -9.139 7.734 19.025 0.00 0.00 ENZB ATOM 3431 HD12 LEU 32 -7.838 8.656 19.572 0.00 0.00 ENZB ATOM 3432 HD13 LEU 32 -8.841 7.819 20.883 0.00 0.00 ENZB ATOM 3433 CD2 LEU 32 -8.954 10.588 21.112 0.00 0.00 ENZB ATOM 3434 HD21 LEU 32 -8.223 11.151 20.491 0.00 0.00 ENZB ATOM 3435 HD22 LEU 32 -9.669 11.275 21.607 0.00 0.00 ENZB ATOM 3436 HD23 LEU 32 -8.373 10.013 21.862 0.00 0.00 ENZB ATOM 3437 C LEU 32 -11.322 11.783 17.495 0.00 0.00 ENZB ATOM 3438 O LEU 32 -10.771 12.844 17.173 0.00 0.00 ENZB ATOM 3439 N LEU 33 -12.181 11.118 16.742 0.00 0.00 ENZB ATOM 3440 HN LEU 33 -12.489 10.225 17.063 0.00 0.00 ENZB ATOM 3441 CA LEU 33 -12.474 11.674 15.420 0.00 0.00 ENZB ATOM 3442 HA LEU 33 -11.527 11.934 14.966 0.00 0.00 ENZB ATOM 3443 CB LEU 33 -12.958 10.561 14.448 0.00 0.00 ENZB ATOM 3444 HB1 LEU 33 -13.838 10.165 15.005 0.00 0.00 ENZB ATOM 3445 HB2 LEU 33 -13.301 10.967 13.470 0.00 0.00 ENZB ATOM 3446 CG LEU 33 -11.958 9.415 14.251 0.00 0.00 ENZB ATOM 3447 HG LEU 33 -11.572 9.051 15.233 0.00 0.00 ENZB ATOM 3448 CD1 LEU 33 -12.669 8.215 13.581 0.00 0.00 ENZB ATOM 3449 HD11 LEU 33 -13.513 7.922 14.242 0.00 0.00 ENZB ATOM 3450 HD12 LEU 33 -12.974 8.497 12.550 0.00 0.00 ENZB ATOM 3451 HD13 LEU 33 -11.917 7.406 13.457 0.00 0.00 ENZB ATOM 3452 CD2 LEU 33 -10.708 9.845 13.491 0.00 0.00 ENZB ATOM 3453 HD21 LEU 33 -9.950 9.051 13.313 0.00 0.00 ENZB ATOM 3454 HD22 LEU 33 -10.998 10.338 12.541 0.00 0.00 ENZB ATOM 3455 HD23 LEU 33 -10.218 10.706 13.995 0.00 0.00 ENZB ATOM 3456 C LEU 33 -13.476 12.951 15.363 0.00 0.00 ENZB ATOM 3457 O LEU 33 -13.300 13.859 14.630 0.00 0.00 ENZB ATOM 3458 N GLY 34 -14.456 12.963 16.269 0.00 0.00 ENZB ATOM 3459 HN GLY 34 -14.440 12.275 16.993 0.00 0.00 ENZB ATOM 3460 CA GLY 34 -15.531 13.973 16.433 0.00 0.00 ENZB ATOM 3461 HA1 GLY 34 -15.239 14.947 16.066 0.00 0.00 ENZB ATOM 3462 HA2 GLY 34 -15.757 14.088 17.485 0.00 0.00 ENZB ATOM 3463 C GLY 34 -16.809 13.549 15.738 0.00 0.00 ENZB ATOM 3464 O GLY 34 -17.518 14.382 15.162 0.00 0.00 ENZB ATOM 3465 N GLU 35 -17.105 12.259 15.746 0.00 0.00 ENZB ATOM 3466 HN GLU 35 -16.463 11.710 16.273 0.00 0.00 ENZB ATOM 3467 CA GLU 35 -18.349 11.623 15.269 0.00 0.00 ENZB ATOM 3468 HA GLU 35 -18.981 12.308 14.716 0.00 0.00 ENZB ATOM 3469 CB GLU 35 -18.055 10.323 14.406 0.00 0.00 ENZB ATOM 3470 HB1 GLU 35 -17.530 9.629 15.102 0.00 0.00 ENZB ATOM 3471 HB2 GLU 35 -18.905 9.787 13.924 0.00 0.00 ENZB ATOM 3472 CG GLU 35 -17.065 10.579 13.176 0.00 0.00 ENZB ATOM 3473 HG1 GLU 35 -16.078 10.883 13.571 0.00 0.00 ENZB ATOM 3474 HG2 GLU 35 -16.841 9.610 12.687 0.00 0.00 ENZB ATOM 3475 CD GLU 35 -17.595 11.543 12.106 0.00 0.00 ENZB ATOM 3476 OE1 GLU 35 -18.768 11.779 11.811 0.00 0.00 ENZB ATOM 3477 OE2 GLU 35 -16.586 12.251 11.499 0.00 0.00 ENZB ATOM 3478 HE2 GLU 35 -16.988 12.577 10.692 0.00 0.00 ENZB ATOM 3479 C GLU 35 -19.146 11.047 16.490 0.00 0.00 ENZB ATOM 3480 O GLU 35 -18.654 11.078 17.617 0.00 0.00 ENZB ATOM 3481 N THR 36 -20.365 10.594 16.286 0.00 0.00 ENZB ATOM 3482 HN THR 36 -20.792 10.664 15.385 0.00 0.00 ENZB ATOM 3483 CA THR 36 -20.974 9.731 17.314 0.00 0.00 ENZB ATOM 3484 HA THR 36 -20.740 10.154 18.281 0.00 0.00 ENZB ATOM 3485 CB THR 36 -22.503 9.749 17.198 0.00 0.00 ENZB ATOM 3486 HB THR 36 -22.982 9.172 18.026 0.00 0.00 ENZB ATOM 3487 OG1 THR 36 -22.936 9.084 15.985 0.00 0.00 ENZB ATOM 3488 HG1 THR 36 -23.895 9.167 16.027 0.00 0.00 ENZB ATOM 3489 CG2 THR 36 -23.064 11.124 17.408 0.00 0.00 ENZB ATOM 3490 HG21 THR 36 -22.790 11.941 16.708 0.00 0.00 ENZB ATOM 3491 HG22 THR 36 -24.168 11.012 17.420 0.00 0.00 ENZB ATOM 3492 HG23 THR 36 -22.795 11.421 18.444 0.00 0.00 ENZB ATOM 3493 C THR 36 -20.449 8.327 17.340 0.00 0.00 ENZB ATOM 3494 O THR 36 -19.921 7.869 16.347 0.00 0.00 ENZB ATOM 3495 N PRO 37 -20.545 7.514 18.353 0.00 0.00 ENZB ATOM 3496 CD PRO 37 -20.765 7.877 19.757 0.00 0.00 ENZB ATOM 3497 HD1 PRO 37 -20.354 8.847 20.117 0.00 0.00 ENZB ATOM 3498 HD2 PRO 37 -21.853 7.967 19.974 0.00 0.00 ENZB ATOM 3499 CA PRO 37 -20.230 6.085 18.325 0.00 0.00 ENZB ATOM 3500 HA PRO 37 -19.198 5.960 18.020 0.00 0.00 ENZB ATOM 3501 CB PRO 37 -20.422 5.552 19.735 0.00 0.00 ENZB ATOM 3502 HB1 PRO 37 -19.719 4.747 20.043 0.00 0.00 ENZB ATOM 3503 HB2 PRO 37 -21.460 5.272 20.007 0.00 0.00 ENZB ATOM 3504 CG PRO 37 -20.230 6.781 20.622 0.00 0.00 ENZB ATOM 3505 HG1 PRO 37 -19.145 6.982 20.723 0.00 0.00 ENZB ATOM 3506 HG2 PRO 37 -20.685 6.756 21.639 0.00 0.00 ENZB ATOM 3507 C PRO 37 -21.101 5.267 17.453 0.00 0.00 ENZB ATOM 3508 O PRO 37 -20.710 4.217 17.001 0.00 0.00 ENZB ATOM 3509 N GLU 38 -22.292 5.718 17.073 0.00 0.00 ENZB ATOM 3510 HN GLU 38 -22.611 6.553 17.513 0.00 0.00 ENZB ATOM 3511 CA GLU 38 -23.259 5.170 16.114 0.00 0.00 ENZB ATOM 3512 HA GLU 38 -23.346 4.123 16.377 0.00 0.00 ENZB ATOM 3513 CB GLU 38 -24.565 5.961 16.301 0.00 0.00 ENZB ATOM 3514 HB1 GLU 38 -24.919 5.976 17.358 0.00 0.00 ENZB ATOM 3515 HB2 GLU 38 -24.436 7.009 15.947 0.00 0.00 ENZB ATOM 3516 CG GLU 38 -25.788 5.272 15.631 0.00 0.00 ENZB ATOM 3517 HG1 GLU 38 -26.694 5.868 15.853 0.00 0.00 ENZB ATOM 3518 HG2 GLU 38 -25.737 5.309 14.524 0.00 0.00 ENZB ATOM 3519 CD GLU 38 -26.032 3.846 16.135 0.00 0.00 ENZB ATOM 3520 OE1 GLU 38 -26.088 2.889 15.326 0.00 0.00 ENZB ATOM 3521 OE2 GLU 38 -26.191 3.678 17.327 0.00 0.00 ENZB ATOM 3522 C GLU 38 -22.777 5.300 14.680 0.00 0.00 ENZB ATOM 3523 O GLU 38 -22.869 4.349 13.927 0.00 0.00 ENZB ATOM 3524 N THR 39 -22.204 6.454 14.281 0.00 0.00 ENZB ATOM 3525 HN THR 39 -22.096 7.197 14.937 0.00 0.00 ENZB ATOM 3526 CA THR 39 -21.540 6.680 13.013 0.00 0.00 ENZB ATOM 3527 HA THR 39 -22.153 6.252 12.232 0.00 0.00 ENZB ATOM 3528 CB THR 39 -21.186 8.139 12.813 0.00 0.00 ENZB ATOM 3529 HB THR 39 -20.373 8.392 13.536 0.00 0.00 ENZB ATOM 3530 OG1 THR 39 -22.282 9.046 12.970 0.00 0.00 ENZB ATOM 3531 HG1 THR 39 -21.933 9.879 13.300 0.00 0.00 ENZB ATOM 3532 CG2 THR 39 -20.777 8.320 11.358 0.00 0.00 ENZB ATOM 3533 HG21 THR 39 -21.398 7.697 10.681 0.00 0.00 ENZB ATOM 3534 HG22 THR 39 -20.740 9.381 11.029 0.00 0.00 ENZB ATOM 3535 HG23 THR 39 -19.729 7.967 11.254 0.00 0.00 ENZB ATOM 3536 C THR 39 -20.319 5.790 12.950 0.00 0.00 ENZB ATOM 3537 O THR 39 -19.980 5.272 11.935 0.00 0.00 ENZB ATOM 3538 N VAL 40 -19.582 5.536 14.059 0.00 0.00 ENZB ATOM 3539 HN VAL 40 -19.821 6.044 14.882 0.00 0.00 ENZB ATOM 3540 CA VAL 40 -18.506 4.528 14.132 0.00 0.00 ENZB ATOM 3541 HA VAL 40 -17.676 4.802 13.491 0.00 0.00 ENZB ATOM 3542 CB VAL 40 -17.864 4.503 15.484 0.00 0.00 ENZB ATOM 3543 HB VAL 40 -18.644 4.240 16.240 0.00 0.00 ENZB ATOM 3544 CG1 VAL 40 -16.729 3.474 15.682 0.00 0.00 ENZB ATOM 3545 HG11 VAL 40 -15.961 3.737 14.924 0.00 0.00 ENZB ATOM 3546 HG12 VAL 40 -16.391 3.573 16.735 0.00 0.00 ENZB ATOM 3547 HG13 VAL 40 -17.055 2.428 15.497 0.00 0.00 ENZB ATOM 3548 CG2 VAL 40 -17.306 5.922 15.835 0.00 0.00 ENZB ATOM 3549 HG21 VAL 40 -18.223 6.542 15.933 0.00 0.00 ENZB ATOM 3550 HG22 VAL 40 -16.942 5.777 16.876 0.00 0.00 ENZB ATOM 3551 HG23 VAL 40 -16.457 6.305 15.233 0.00 0.00 ENZB ATOM 3552 C VAL 40 -18.978 3.056 13.806 0.00 0.00 ENZB ATOM 3553 O VAL 40 -18.626 2.443 12.779 0.00 0.00 ENZB ATOM 3554 N ALA 41 -19.965 2.656 14.637 0.00 0.00 ENZB ATOM 3555 HN ALA 41 -20.375 3.282 15.300 0.00 0.00 ENZB ATOM 3556 CA ALA 41 -20.717 1.430 14.463 0.00 0.00 ENZB ATOM 3557 HA ALA 41 -19.913 0.726 14.648 0.00 0.00 ENZB ATOM 3558 CB ALA 41 -21.759 1.261 15.506 0.00 0.00 ENZB ATOM 3559 HB1 ALA 41 -22.407 0.369 15.361 0.00 0.00 ENZB ATOM 3560 HB2 ALA 41 -21.310 1.059 16.502 0.00 0.00 ENZB ATOM 3561 HB3 ALA 41 -22.376 2.185 15.530 0.00 0.00 ENZB ATOM 3562 C ALA 41 -21.323 1.136 13.064 0.00 0.00 ENZB ATOM 3563 O ALA 41 -21.202 0.063 12.462 0.00 0.00 ENZB ATOM 3564 N ALA 42 -21.877 2.149 12.428 0.00 0.00 ENZB ATOM 3565 HN ALA 42 -21.964 2.935 13.038 0.00 0.00 ENZB ATOM 3566 CA ALA 42 -22.276 2.214 11.017 0.00 0.00 ENZB ATOM 3567 HA ALA 42 -22.972 1.389 10.916 0.00 0.00 ENZB ATOM 3568 CB ALA 42 -23.080 3.571 10.747 0.00 0.00 ENZB ATOM 3569 HB1 ALA 42 -23.864 3.670 11.529 0.00 0.00 ENZB ATOM 3570 HB2 ALA 42 -22.392 4.436 10.863 0.00 0.00 ENZB ATOM 3571 HB3 ALA 42 -23.458 3.559 9.702 0.00 0.00 ENZB ATOM 3572 C ALA 42 -21.170 2.163 10.005 0.00 0.00 ENZB ATOM 3573 O ALA 42 -21.246 1.321 9.107 0.00 0.00 ENZB ATOM 3574 N TRP 43 -20.109 2.920 10.154 0.00 0.00 ENZB ATOM 3575 HN TRP 43 -20.042 3.641 10.837 0.00 0.00 ENZB ATOM 3576 CA TRP 43 -18.884 2.785 9.352 0.00 0.00 ENZB ATOM 3577 HA TRP 43 -19.226 2.875 8.329 0.00 0.00 ENZB ATOM 3578 CB TRP 43 -17.831 3.888 9.690 0.00 0.00 ENZB ATOM 3579 HB1 TRP 43 -17.565 3.866 10.771 0.00 0.00 ENZB ATOM 3580 HB2 TRP 43 -16.894 3.774 9.100 0.00 0.00 ENZB ATOM 3581 CG TRP 43 -18.130 5.385 9.465 0.00 0.00 ENZB ATOM 3582 CD1 TRP 43 -19.174 6.109 8.867 0.00 0.00 ENZB ATOM 3583 HD1 TRP 43 -20.079 5.711 8.429 0.00 0.00 ENZB ATOM 3584 NE1 TRP 43 -18.853 7.402 8.904 0.00 0.00 ENZB ATOM 3585 HE1 TRP 43 -19.313 8.039 8.325 0.00 0.00 ENZB ATOM 3586 CE2 TRP 43 -17.671 7.607 9.498 0.00 0.00 ENZB ATOM 3587 CD2 TRP 43 -17.141 6.363 9.802 0.00 0.00 ENZB ATOM 3588 CE3 TRP 43 -15.868 6.240 10.352 0.00 0.00 ENZB ATOM 3589 HE3 TRP 43 -15.448 5.292 10.662 0.00 0.00 ENZB ATOM 3590 CZ3 TRP 43 -15.055 7.412 10.503 0.00 0.00 ENZB ATOM 3591 HZ3 TRP 43 -14.058 7.236 10.880 0.00 0.00 ENZB ATOM 3592 CZ2 TRP 43 -16.902 8.748 9.603 0.00 0.00 ENZB ATOM 3593 HZ2 TRP 43 -17.302 9.693 9.270 0.00 0.00 ENZB ATOM 3594 CH2 TRP 43 -15.575 8.610 10.096 0.00 0.00 ENZB ATOM 3595 HH2 TRP 43 -15.026 9.534 10.208 0.00 0.00 ENZB ATOM 3596 C TRP 43 -18.219 1.434 9.459 0.00 0.00 ENZB ATOM 3597 O TRP 43 -17.702 0.918 8.465 0.00 0.00 ENZB ATOM 3598 N GLU 44 -18.209 0.809 10.647 0.00 0.00 ENZB ATOM 3599 HN GLU 44 -18.570 1.310 11.428 0.00 0.00 ENZB ATOM 3600 CA GLU 44 -17.829 -0.523 10.893 0.00 0.00 ENZB ATOM 3601 HA GLU 44 -16.890 -0.790 10.425 0.00 0.00 ENZB ATOM 3602 CB GLU 44 -17.648 -0.736 12.426 0.00 0.00 ENZB ATOM 3603 HB1 GLU 44 -17.171 0.175 12.855 0.00 0.00 ENZB ATOM 3604 HB2 GLU 44 -18.693 -0.780 12.805 0.00 0.00 ENZB ATOM 3605 CG GLU 44 -16.710 -1.908 12.894 0.00 0.00 ENZB ATOM 3606 HG1 GLU 44 -16.978 -2.902 12.489 0.00 0.00 ENZB ATOM 3607 HG2 GLU 44 -15.716 -1.777 12.424 0.00 0.00 ENZB ATOM 3608 CD GLU 44 -16.534 -1.875 14.424 0.00 0.00 ENZB ATOM 3609 OE1 GLU 44 -15.651 -1.137 14.911 0.00 0.00 ENZB ATOM 3610 OE2 GLU 44 -17.211 -2.688 15.100 0.00 0.00 ENZB ATOM 3611 C GLU 44 -18.757 -1.611 10.403 0.00 0.00 ENZB ATOM 3612 O GLU 44 -18.315 -2.743 10.081 0.00 0.00 ENZB ATOM 3613 N ASN 45 -20.065 -1.300 10.220 0.00 0.00 ENZB ATOM 3614 HN ASN 45 -20.430 -0.457 10.613 0.00 0.00 ENZB ATOM 3615 CA ASN 45 -20.905 -2.256 9.512 0.00 0.00 ENZB ATOM 3616 HA ASN 45 -20.690 -3.299 9.717 0.00 0.00 ENZB ATOM 3617 CB ASN 45 -22.451 -2.082 9.755 0.00 0.00 ENZB ATOM 3618 HB1 ASN 45 -22.759 -1.016 9.839 0.00 0.00 ENZB ATOM 3619 HB2 ASN 45 -23.056 -2.588 8.976 0.00 0.00 ENZB ATOM 3620 CG ASN 45 -22.990 -2.685 11.136 0.00 0.00 ENZB ATOM 3621 OD1 ASN 45 -24.016 -3.410 11.122 0.00 0.00 ENZB ATOM 3622 ND2 ASN 45 -22.415 -2.344 12.322 0.00 0.00 ENZB ATOM 3623 HD21 ASN 45 -22.786 -2.859 13.090 0.00 0.00 ENZB ATOM 3624 HD22 ASN 45 -21.784 -1.578 12.388 0.00 0.00 ENZB ATOM 3625 C ASN 45 -20.620 -2.109 7.964 0.00 0.00 ENZB ATOM 3626 O ASN 45 -20.179 -3.001 7.241 0.00 0.00 ENZB ATOM 3627 N GLY 46 -20.816 -0.864 7.424 0.00 0.00 ENZB ATOM 3628 HN GLY 46 -21.000 -0.084 8.020 0.00 0.00 ENZB ATOM 3629 CA GLY 46 -20.798 -0.714 6.030 0.00 0.00 ENZB ATOM 3630 HA1 GLY 46 -21.623 -1.300 5.647 0.00 0.00 ENZB ATOM 3631 HA2 GLY 46 -19.822 -1.112 5.787 0.00 0.00 ENZB ATOM 3632 C GLY 46 -20.955 0.673 5.391 0.00 0.00 ENZB ATOM 3633 O GLY 46 -21.787 0.830 4.511 0.00 0.00 ENZB ATOM 3634 N GLU 47 -20.156 1.663 5.851 0.00 0.00 ENZB ATOM 3635 HN GLU 47 -19.681 1.443 6.698 0.00 0.00 ENZB ATOM 3636 CA GLU 47 -20.294 3.014 5.260 0.00 0.00 ENZB ATOM 3637 HA GLU 47 -20.631 2.888 4.238 0.00 0.00 ENZB ATOM 3638 CB GLU 47 -21.195 3.960 6.093 0.00 0.00 ENZB ATOM 3639 HB1 GLU 47 -20.806 3.844 7.131 0.00 0.00 ENZB ATOM 3640 HB2 GLU 47 -21.001 5.032 5.862 0.00 0.00 ENZB ATOM 3641 CG GLU 47 -22.757 3.681 6.021 0.00 0.00 ENZB ATOM 3642 HG1 GLU 47 -23.159 3.824 5.002 0.00 0.00 ENZB ATOM 3643 HG2 GLU 47 -22.945 2.698 6.499 0.00 0.00 ENZB ATOM 3644 CD GLU 47 -23.454 4.843 6.717 0.00 0.00 ENZB ATOM 3645 OE1 GLU 47 -23.164 5.974 6.311 0.00 0.00 ENZB ATOM 3646 OE2 GLU 47 -24.310 4.557 7.679 0.00 0.00 ENZB ATOM 3647 HE2 GLU 47 -24.698 5.415 7.866 0.00 0.00 ENZB ATOM 3648 C GLU 47 -18.921 3.649 5.032 0.00 0.00 ENZB ATOM 3649 O GLU 47 -18.088 3.776 5.922 0.00 0.00 ENZB ATOM 3650 N GLY 48 -18.565 4.025 3.780 0.00 0.00 ENZB ATOM 3651 HN GLY 48 -19.343 3.939 3.160 0.00 0.00 ENZB ATOM 3652 CA GLY 48 -17.374 4.313 3.133 0.00 0.00 ENZB ATOM 3653 HA1 GLY 48 -16.881 3.364 2.973 0.00 0.00 ENZB ATOM 3654 HA2 GLY 48 -16.828 4.981 3.784 0.00 0.00 ENZB ATOM 3655 C GLY 48 -17.475 4.899 1.740 0.00 0.00 ENZB ATOM 3656 O GLY 48 -17.281 4.206 0.724 0.00 0.00 ENZB ATOM 3657 N GLY 49 -17.832 6.223 1.656 0.00 0.00 ENZB ATOM 3658 HN GLY 49 -18.064 6.776 2.457 0.00 0.00 ENZB ATOM 3659 CA GLY 49 -17.792 6.960 0.357 0.00 0.00 ENZB ATOM 3660 HA1 GLY 49 -18.733 6.960 -0.176 0.00 0.00 ENZB ATOM 3661 HA2 GLY 49 -16.979 6.499 -0.188 0.00 0.00 ENZB ATOM 3662 C GLY 49 -17.419 8.439 0.478 0.00 0.00 ENZB ATOM 3663 O GLY 49 -16.818 9.105 -0.342 0.00 0.00 ENZB ATOM 3664 N GLU 50 -17.955 9.023 1.556 0.00 0.00 ENZB ATOM 3665 HN GLU 50 -18.251 8.532 2.370 0.00 0.00 ENZB ATOM 3666 CA GLU 50 -18.013 10.451 1.694 0.00 0.00 ENZB ATOM 3667 HA GLU 50 -18.106 10.836 0.685 0.00 0.00 ENZB ATOM 3668 CB GLU 50 -19.326 10.794 2.535 0.00 0.00 ENZB ATOM 3669 HB1 GLU 50 -19.180 10.295 3.520 0.00 0.00 ENZB ATOM 3670 HB2 GLU 50 -19.454 11.888 2.695 0.00 0.00 ENZB ATOM 3671 CG GLU 50 -20.668 10.172 1.934 0.00 0.00 ENZB ATOM 3672 HG1 GLU 50 -20.682 9.144 1.527 0.00 0.00 ENZB ATOM 3673 HG2 GLU 50 -21.459 10.221 2.708 0.00 0.00 ENZB ATOM 3674 CD GLU 50 -21.116 10.998 0.693 0.00 0.00 ENZB ATOM 3675 OE1 GLU 50 -20.941 10.685 -0.482 0.00 0.00 ENZB ATOM 3676 OE2 GLU 50 -21.684 12.214 0.923 0.00 0.00 ENZB ATOM 3677 HE2 GLU 50 -21.549 12.495 1.831 0.00 0.00 ENZB ATOM 3678 C GLU 50 -16.847 11.188 2.354 0.00 0.00 ENZB ATOM 3679 O GLU 50 -16.671 12.377 2.117 0.00 0.00 ENZB ATOM 3680 N LEU 51 -15.983 10.432 3.050 0.00 0.00 ENZB ATOM 3681 HN LEU 51 -16.181 9.458 3.140 0.00 0.00 ENZB ATOM 3682 CA LEU 51 -14.756 10.919 3.588 0.00 0.00 ENZB ATOM 3683 HA LEU 51 -15.042 11.808 4.133 0.00 0.00 ENZB ATOM 3684 CB LEU 51 -14.172 9.731 4.474 0.00 0.00 ENZB ATOM 3685 HB1 LEU 51 -14.210 8.791 3.878 0.00 0.00 ENZB ATOM 3686 HB2 LEU 51 -13.085 9.914 4.626 0.00 0.00 ENZB ATOM 3687 CG LEU 51 -14.913 9.553 5.819 0.00 0.00 ENZB ATOM 3688 HG LEU 51 -16.002 9.705 5.626 0.00 0.00 ENZB ATOM 3689 CD1 LEU 51 -14.760 8.123 6.391 0.00 0.00 ENZB ATOM 3690 HD11 LEU 51 -13.798 8.098 6.948 0.00 0.00 ENZB ATOM 3691 HD12 LEU 51 -15.535 7.970 7.173 0.00 0.00 ENZB ATOM 3692 HD13 LEU 51 -14.784 7.310 5.636 0.00 0.00 ENZB ATOM 3693 CD2 LEU 51 -14.508 10.539 6.898 0.00 0.00 ENZB ATOM 3694 HD21 LEU 51 -13.411 10.515 7.071 0.00 0.00 ENZB ATOM 3695 HD22 LEU 51 -14.878 11.558 6.666 0.00 0.00 ENZB ATOM 3696 HD23 LEU 51 -14.984 10.053 7.778 0.00 0.00 ENZB ATOM 3697 C LEU 51 -13.622 11.322 2.638 0.00 0.00 ENZB ATOM 3698 O LEU 51 -13.411 10.694 1.630 0.00 0.00 ENZB ATOM 3699 N THR 52 -12.860 12.354 2.969 0.00 0.00 ENZB ATOM 3700 HN THR 52 -13.192 12.860 3.763 0.00 0.00 ENZB ATOM 3701 CA THR 52 -11.794 12.865 2.109 0.00 0.00 ENZB ATOM 3702 HA THR 52 -11.898 12.542 1.083 0.00 0.00 ENZB ATOM 3703 CB THR 52 -11.925 14.328 1.735 0.00 0.00 ENZB ATOM 3704 HB THR 52 -11.059 14.617 1.090 0.00 0.00 ENZB ATOM 3705 OG1 THR 52 -12.072 15.134 2.943 0.00 0.00 ENZB ATOM 3706 HG1 THR 52 -11.724 16.010 2.743 0.00 0.00 ENZB ATOM 3707 CG2 THR 52 -13.282 14.557 0.939 0.00 0.00 ENZB ATOM 3708 HG21 THR 52 -13.536 15.637 0.905 0.00 0.00 ENZB ATOM 3709 HG22 THR 52 -13.106 14.188 -0.094 0.00 0.00 ENZB ATOM 3710 HG23 THR 52 -14.106 14.034 1.472 0.00 0.00 ENZB ATOM 3711 C THR 52 -10.475 12.680 2.550 0.00 0.00 ENZB ATOM 3712 O THR 52 -10.271 12.131 3.652 0.00 0.00 ENZB ATOM 3713 N LEU 53 -9.414 13.128 1.777 0.00 0.00 ENZB ATOM 3714 HN LEU 53 -9.588 13.406 0.835 0.00 0.00 ENZB ATOM 3715 CA LEU 53 -7.988 12.770 2.006 0.00 0.00 ENZB ATOM 3716 HA LEU 53 -7.811 11.703 2.053 0.00 0.00 ENZB ATOM 3717 CB LEU 53 -7.152 13.254 0.746 0.00 0.00 ENZB ATOM 3718 HB1 LEU 53 -7.618 12.632 -0.053 0.00 0.00 ENZB ATOM 3719 HB2 LEU 53 -7.359 14.326 0.531 0.00 0.00 ENZB ATOM 3720 CG LEU 53 -5.631 13.080 0.854 0.00 0.00 ENZB ATOM 3721 HG LEU 53 -5.267 13.470 1.834 0.00 0.00 ENZB ATOM 3722 CD1 LEU 53 -5.114 11.604 0.629 0.00 0.00 ENZB ATOM 3723 HD11 LEU 53 -4.042 11.512 0.907 0.00 0.00 ENZB ATOM 3724 HD12 LEU 53 -5.655 10.835 1.221 0.00 0.00 ENZB ATOM 3725 HD13 LEU 53 -5.127 11.334 -0.449 0.00 0.00 ENZB ATOM 3726 CD2 LEU 53 -5.011 13.923 -0.264 0.00 0.00 ENZB ATOM 3727 HD21 LEU 53 -3.916 13.907 -0.084 0.00 0.00 ENZB ATOM 3728 HD22 LEU 53 -5.259 13.455 -1.239 0.00 0.00 ENZB ATOM 3729 HD23 LEU 53 -5.263 15.005 -0.227 0.00 0.00 ENZB ATOM 3730 C LEU 53 -7.424 13.332 3.340 0.00 0.00 ENZB ATOM 3731 O LEU 53 -6.709 12.702 4.060 0.00 0.00 ENZB ATOM 3732 N THR 54 -7.878 14.529 3.775 0.00 0.00 ENZB ATOM 3733 HN THR 54 -8.534 14.943 3.144 0.00 0.00 ENZB ATOM 3734 CA THR 54 -7.584 15.053 5.060 0.00 0.00 ENZB ATOM 3735 HA THR 54 -6.512 14.909 5.108 0.00 0.00 ENZB ATOM 3736 CB THR 54 -7.817 16.568 5.332 0.00 0.00 ENZB ATOM 3737 HB THR 54 -7.410 16.803 6.345 0.00 0.00 ENZB ATOM 3738 OG1 THR 54 -9.261 16.906 5.233 0.00 0.00 ENZB ATOM 3739 HG1 THR 54 -9.373 17.848 5.405 0.00 0.00 ENZB ATOM 3740 CG2 THR 54 -7.036 17.362 4.248 0.00 0.00 ENZB ATOM 3741 HG21 THR 54 -6.988 18.463 4.381 0.00 0.00 ENZB ATOM 3742 HG22 THR 54 -5.971 17.079 4.386 0.00 0.00 ENZB ATOM 3743 HG23 THR 54 -7.380 17.185 3.207 0.00 0.00 ENZB ATOM 3744 C THR 54 -8.238 14.277 6.189 0.00 0.00 ENZB ATOM 3745 O THR 54 -7.597 14.044 7.203 0.00 0.00 ENZB ATOM 3746 N GLN 55 -9.504 13.975 5.987 0.00 0.00 ENZB ATOM 3747 HN GLN 55 -9.973 14.186 5.131 0.00 0.00 ENZB ATOM 3748 CA GLN 55 -10.319 13.293 6.969 0.00 0.00 ENZB ATOM 3749 HA GLN 55 -10.227 13.689 7.972 0.00 0.00 ENZB ATOM 3750 CB GLN 55 -11.851 13.342 6.626 0.00 0.00 ENZB ATOM 3751 HB1 GLN 55 -12.025 12.712 5.722 0.00 0.00 ENZB ATOM 3752 HB2 GLN 55 -12.389 12.936 7.512 0.00 0.00 ENZB ATOM 3753 CG GLN 55 -12.481 14.750 6.429 0.00 0.00 ENZB ATOM 3754 HG1 GLN 55 -12.272 15.407 7.301 0.00 0.00 ENZB ATOM 3755 HG2 GLN 55 -12.014 15.219 5.538 0.00 0.00 ENZB ATOM 3756 CD GLN 55 -14.027 14.739 6.229 0.00 0.00 ENZB ATOM 3757 OE1 GLN 55 -14.612 13.985 5.403 0.00 0.00 ENZB ATOM 3758 NE2 GLN 55 -14.726 15.426 7.088 0.00 0.00 ENZB ATOM 3759 HE21 GLN 55 -15.702 15.235 7.077 0.00 0.00 ENZB ATOM 3760 HE22 GLN 55 -14.385 16.261 7.507 0.00 0.00 ENZB ATOM 3761 C GLN 55 -9.907 11.789 7.068 0.00 0.00 ENZB ATOM 3762 O GLN 55 -9.602 11.306 8.160 0.00 0.00 ENZB ATOM 3763 N LEU 56 -9.749 10.981 5.975 0.00 0.00 ENZB ATOM 3764 HN LEU 56 -10.171 11.339 5.145 0.00 0.00 ENZB ATOM 3765 CA LEU 56 -9.117 9.594 5.810 0.00 0.00 ENZB ATOM 3766 HA LEU 56 -9.682 8.885 6.401 0.00 0.00 ENZB ATOM 3767 CB LEU 56 -8.974 9.237 4.263 0.00 0.00 ENZB ATOM 3768 HB1 LEU 56 -8.539 10.217 3.958 0.00 0.00 ENZB ATOM 3769 HB2 LEU 56 -8.291 8.381 4.067 0.00 0.00 ENZB ATOM 3770 CG LEU 56 -10.354 9.065 3.537 0.00 0.00 ENZB ATOM 3771 HG LEU 56 -10.990 9.970 3.686 0.00 0.00 ENZB ATOM 3772 CD1 LEU 56 -10.249 8.720 2.073 0.00 0.00 ENZB ATOM 3773 HD11 LEU 56 -9.728 7.738 2.090 0.00 0.00 ENZB ATOM 3774 HD12 LEU 56 -11.259 8.570 1.634 0.00 0.00 ENZB ATOM 3775 HD13 LEU 56 -9.604 9.520 1.653 0.00 0.00 ENZB ATOM 3776 CD2 LEU 56 -11.066 7.867 4.167 0.00 0.00 ENZB ATOM 3777 HD21 LEU 56 -10.438 6.970 3.979 0.00 0.00 ENZB ATOM 3778 HD22 LEU 56 -11.271 8.060 5.238 0.00 0.00 ENZB ATOM 3779 HD23 LEU 56 -11.984 7.656 3.576 0.00 0.00 ENZB ATOM 3780 C LEU 56 -7.803 9.617 6.565 0.00 0.00 ENZB ATOM 3781 O LEU 56 -7.436 8.760 7.422 0.00 0.00 ENZB ATOM 3782 N GLY 57 -7.009 10.762 6.385 0.00 0.00 ENZB ATOM 3783 HN GLY 57 -7.330 11.499 5.794 0.00 0.00 ENZB ATOM 3784 CA GLY 57 -5.691 10.943 6.915 0.00 0.00 ENZB ATOM 3785 HA1 GLY 57 -5.418 11.929 6.567 0.00 0.00 ENZB ATOM 3786 HA2 GLY 57 -5.062 10.152 6.532 0.00 0.00 ENZB ATOM 3787 C GLY 57 -5.664 10.993 8.492 0.00 0.00 ENZB ATOM 3788 O GLY 57 -4.724 10.404 9.096 0.00 0.00 ENZB ATOM 3789 N ARG 58 -6.677 11.561 9.113 0.00 0.00 ENZB ATOM 3790 HN ARG 58 -7.392 11.947 8.536 0.00 0.00 ENZB ATOM 3791 CA ARG 58 -6.878 11.594 10.583 0.00 0.00 ENZB ATOM 3792 HA ARG 58 -5.933 11.943 10.981 0.00 0.00 ENZB ATOM 3793 CB ARG 58 -7.977 12.558 11.046 0.00 0.00 ENZB ATOM 3794 HB1 ARG 58 -8.793 12.324 10.320 0.00 0.00 ENZB ATOM 3795 HB2 ARG 58 -8.389 12.378 12.063 0.00 0.00 ENZB ATOM 3796 CG ARG 58 -7.549 14.067 10.949 0.00 0.00 ENZB ATOM 3797 HG1 ARG 58 -6.630 14.098 11.577 0.00 0.00 ENZB ATOM 3798 HG2 ARG 58 -7.397 14.327 9.877 0.00 0.00 ENZB ATOM 3799 CD ARG 58 -8.450 15.104 11.641 0.00 0.00 ENZB ATOM 3800 HD1 ARG 58 -8.476 14.858 12.730 0.00 0.00 ENZB ATOM 3801 HD2 ARG 58 -7.913 16.081 11.637 0.00 0.00 ENZB ATOM 3802 NE ARG 58 -9.828 15.134 11.118 0.00 0.00 ENZB ATOM 3803 HE ARG 58 -10.519 14.642 11.660 0.00 0.00 ENZB ATOM 3804 CZ ARG 58 -10.207 15.998 10.169 0.00 0.00 ENZB ATOM 3805 NH1 ARG 58 -11.483 16.139 10.018 0.00 0.00 ENZB ATOM 3806 HH11 ARG 58 -11.822 16.868 9.440 0.00 0.00 ENZB ATOM 3807 HH12 ARG 58 -12.024 15.474 10.540 0.00 0.00 ENZB ATOM 3808 NH2 ARG 58 -9.409 16.806 9.501 0.00 0.00 ENZB ATOM 3809 HH21 ARG 58 -9.831 17.540 8.986 0.00 0.00 ENZB ATOM 3810 HH22 ARG 58 -8.485 17.002 9.807 0.00 0.00 ENZB ATOM 3811 C ARG 58 -7.112 10.185 11.112 0.00 0.00 ENZB ATOM 3812 O ARG 58 -6.394 9.734 12.017 0.00 0.00 ENZB ATOM 3813 N ILE 59 -8.089 9.431 10.576 0.00 0.00 ENZB ATOM 3814 HN ILE 59 -8.627 9.813 9.828 0.00 0.00 ENZB ATOM 3815 CA ILE 59 -8.270 7.977 10.740 0.00 0.00 ENZB ATOM 3816 HA ILE 59 -8.613 7.736 11.737 0.00 0.00 ENZB ATOM 3817 CB ILE 59 -9.274 7.331 9.815 0.00 0.00 ENZB ATOM 3818 HB ILE 59 -8.840 7.141 8.801 0.00 0.00 ENZB ATOM 3819 CG2 ILE 59 -9.712 5.878 10.334 0.00 0.00 ENZB ATOM 3820 HG21 ILE 59 -10.250 5.811 11.302 0.00 0.00 ENZB ATOM 3821 HG22 ILE 59 -10.325 5.371 9.561 0.00 0.00 ENZB ATOM 3822 HG23 ILE 59 -8.787 5.264 10.375 0.00 0.00 ENZB ATOM 3823 CG1 ILE 59 -10.568 8.255 9.658 0.00 0.00 ENZB ATOM 3824 HG11 ILE 59 -10.589 8.756 10.651 0.00 0.00 ENZB ATOM 3825 HG12 ILE 59 -10.429 9.008 8.850 0.00 0.00 ENZB ATOM 3826 CD ILE 59 -11.842 7.420 9.297 0.00 0.00 ENZB ATOM 3827 HD1 ILE 59 -11.622 6.755 8.436 0.00 0.00 ENZB ATOM 3828 HD2 ILE 59 -12.141 6.966 10.267 0.00 0.00 ENZB ATOM 3829 HD3 ILE 59 -12.674 8.112 9.046 0.00 0.00 ENZB ATOM 3830 C ILE 59 -6.968 7.177 10.679 0.00 0.00 ENZB ATOM 3831 O ILE 59 -6.822 6.301 11.548 0.00 0.00 ENZB ATOM 3832 N ALA 60 -6.129 7.339 9.692 0.00 0.00 ENZB ATOM 3833 HN ALA 60 -6.460 7.929 8.957 0.00 0.00 ENZB ATOM 3834 CA ALA 60 -4.859 6.673 9.606 0.00 0.00 ENZB ATOM 3835 HA ALA 60 -5.023 5.601 9.644 0.00 0.00 ENZB ATOM 3836 CB ALA 60 -4.302 6.718 8.101 0.00 0.00 ENZB ATOM 3837 HB1 ALA 60 -4.922 6.059 7.456 0.00 0.00 ENZB ATOM 3838 HB2 ALA 60 -4.509 7.739 7.712 0.00 0.00 ENZB ATOM 3839 HB3 ALA 60 -3.232 6.417 8.100 0.00 0.00 ENZB ATOM 3840 C ALA 60 -3.864 7.035 10.740 0.00 0.00 ENZB ATOM 3841 O ALA 60 -3.218 6.189 11.286 0.00 0.00 ENZB ATOM 3842 N HSE 61 -3.857 8.348 11.159 0.00 0.00 ENZB ATOM 3843 HN HSE 61 -4.552 8.919 10.725 0.00 0.00 ENZB ATOM 3844 CA HSE 61 -3.015 8.868 12.260 0.00 0.00 ENZB ATOM 3845 HA HSE 61 -1.977 8.655 12.039 0.00 0.00 ENZB ATOM 3846 CB HSE 61 -3.231 10.403 12.416 0.00 0.00 ENZB ATOM 3847 HB1 HSE 61 -2.836 11.019 11.581 0.00 0.00 ENZB ATOM 3848 HB2 HSE 61 -4.301 10.639 12.597 0.00 0.00 ENZB ATOM 3849 ND1 HSE 61 -1.282 10.854 13.757 0.00 0.00 ENZB ATOM 3850 CG HSE 61 -2.599 11.007 13.556 0.00 0.00 ENZB ATOM 3851 CE1 HSE 61 -1.039 11.327 14.959 0.00 0.00 ENZB ATOM 3852 HE1 HSE 61 -0.084 11.384 15.491 0.00 0.00 ENZB ATOM 3853 NE2 HSE 61 -2.183 11.762 15.596 0.00 0.00 ENZB ATOM 3854 HE2 HSE 61 -2.262 12.093 16.535 0.00 0.00 ENZB ATOM 3855 CD2 HSE 61 -3.204 11.657 14.658 0.00 0.00 ENZB ATOM 3856 HD2 HSE 61 -4.215 11.878 14.970 0.00 0.00 ENZB ATOM 3857 C HSE 61 -3.428 8.146 13.616 0.00 0.00 ENZB ATOM 3858 O HSE 61 -2.600 7.517 14.277 0.00 0.00 ENZB ATOM 3859 N VAL 62 -4.718 8.161 13.983 0.00 0.00 ENZB ATOM 3860 HN VAL 62 -5.387 8.749 13.540 0.00 0.00 ENZB ATOM 3861 CA VAL 62 -5.163 7.643 15.234 0.00 0.00 ENZB ATOM 3862 HA VAL 62 -4.710 8.133 16.087 0.00 0.00 ENZB ATOM 3863 CB VAL 62 -6.632 7.992 15.406 0.00 0.00 ENZB ATOM 3864 HB VAL 62 -7.262 7.376 14.718 0.00 0.00 ENZB ATOM 3865 CG1 VAL 62 -6.996 7.575 16.865 0.00 0.00 ENZB ATOM 3866 HG11 VAL 62 -7.059 6.466 16.870 0.00 0.00 ENZB ATOM 3867 HG12 VAL 62 -6.229 8.044 17.516 0.00 0.00 ENZB ATOM 3868 HG13 VAL 62 -8.020 7.899 17.146 0.00 0.00 ENZB ATOM 3869 CG2 VAL 62 -6.903 9.475 15.316 0.00 0.00 ENZB ATOM 3870 HG21 VAL 62 -6.717 9.896 14.304 0.00 0.00 ENZB ATOM 3871 HG22 VAL 62 -7.931 9.710 15.667 0.00 0.00 ENZB ATOM 3872 HG23 VAL 62 -6.227 10.031 15.997 0.00 0.00 ENZB ATOM 3873 C VAL 62 -4.943 6.146 15.494 0.00 0.00 ENZB ATOM 3874 O VAL 62 -4.528 5.705 16.618 0.00 0.00 ENZB ATOM 3875 N LEU 63 -5.171 5.342 14.445 0.00 0.00 ENZB ATOM 3876 HN LEU 63 -5.589 5.711 13.617 0.00 0.00 ENZB ATOM 3877 CA LEU 63 -4.857 3.905 14.390 0.00 0.00 ENZB ATOM 3878 HA LEU 63 -5.050 3.451 15.354 0.00 0.00 ENZB ATOM 3879 CB LEU 63 -5.891 3.201 13.443 0.00 0.00 ENZB ATOM 3880 HB1 LEU 63 -5.700 3.581 12.413 0.00 0.00 ENZB ATOM 3881 HB2 LEU 63 -5.628 2.120 13.468 0.00 0.00 ENZB ATOM 3882 CG LEU 63 -7.399 3.486 13.732 0.00 0.00 ENZB ATOM 3883 HG LEU 63 -7.492 4.596 13.798 0.00 0.00 ENZB ATOM 3884 CD1 LEU 63 -8.446 3.101 12.645 0.00 0.00 ENZB ATOM 3885 HD11 LEU 63 -8.162 3.578 11.682 0.00 0.00 ENZB ATOM 3886 HD12 LEU 63 -8.540 1.997 12.558 0.00 0.00 ENZB ATOM 3887 HD13 LEU 63 -9.446 3.547 12.839 0.00 0.00 ENZB ATOM 3888 CD2 LEU 63 -7.816 2.856 15.060 0.00 0.00 ENZB ATOM 3889 HD21 LEU 63 -7.446 1.810 14.999 0.00 0.00 ENZB ATOM 3890 HD22 LEU 63 -7.456 3.343 15.989 0.00 0.00 ENZB ATOM 3891 HD23 LEU 63 -8.915 2.831 15.224 0.00 0.00 ENZB ATOM 3892 C LEU 63 -3.439 3.582 13.940 0.00 0.00 ENZB ATOM 3893 O LEU 63 -3.070 2.423 13.779 0.00 0.00 ENZB ATOM 3894 N GLY 64 -2.580 4.571 13.689 0.00 0.00 ENZB ATOM 3895 HN GLY 64 -2.902 5.492 13.902 0.00 0.00 ENZB ATOM 3896 CA GLY 64 -1.167 4.301 13.571 0.00 0.00 ENZB ATOM 3897 HA1 GLY 64 -0.906 3.562 14.315 0.00 0.00 ENZB ATOM 3898 HA2 GLY 64 -0.577 5.202 13.672 0.00 0.00 ENZB ATOM 3899 C GLY 64 -0.665 3.810 12.218 0.00 0.00 ENZB ATOM 3900 O GLY 64 0.402 3.161 12.204 0.00 0.00 ENZB ATOM 3901 N THR 65 -1.350 4.070 11.080 0.00 0.00 ENZB ATOM 3902 HN THR 65 -2.164 4.648 11.152 0.00 0.00 ENZB ATOM 3903 CA THR 65 -1.073 3.448 9.852 0.00 0.00 ENZB ATOM 3904 HA THR 65 -0.023 3.209 9.756 0.00 0.00 ENZB ATOM 3905 CB THR 65 -1.859 2.135 9.808 0.00 0.00 ENZB ATOM 3906 HB THR 65 -1.838 1.678 10.829 0.00 0.00 ENZB ATOM 3907 OG1 THR 65 -1.272 1.213 8.905 0.00 0.00 ENZB ATOM 3908 HG1 THR 65 -1.681 0.352 9.047 0.00 0.00 ENZB ATOM 3909 CG2 THR 65 -3.316 2.286 9.523 0.00 0.00 ENZB ATOM 3910 HG21 THR 65 -3.831 1.330 9.290 0.00 0.00 ENZB ATOM 3911 HG22 THR 65 -3.927 2.755 10.323 0.00 0.00 ENZB ATOM 3912 HG23 THR 65 -3.443 2.938 8.634 0.00 0.00 ENZB ATOM 3913 C THR 65 -1.233 4.343 8.675 0.00 0.00 ENZB ATOM 3914 O THR 65 -1.255 5.574 8.777 0.00 0.00 ENZB ATOM 3915 N SER 66 -1.141 3.834 7.416 0.00 0.00 ENZB ATOM 3916 HN SER 66 -1.242 2.851 7.275 0.00 0.00 ENZB ATOM 3917 CA SER 66 -1.320 4.664 6.216 0.00 0.00 ENZB ATOM 3918 HA SER 66 -1.209 5.731 6.360 0.00 0.00 ENZB ATOM 3919 CB SER 66 -0.263 4.179 5.139 0.00 0.00 ENZB ATOM 3920 HB1 SER 66 -0.195 4.796 4.214 0.00 0.00 ENZB ATOM 3921 HB2 SER 66 0.691 4.306 5.698 0.00 0.00 ENZB ATOM 3922 OG SER 66 -0.427 2.768 4.824 0.00 0.00 ENZB ATOM 3923 HG1 SER 66 0.257 2.595 4.165 0.00 0.00 ENZB ATOM 3924 C SER 66 -2.681 4.478 5.633 0.00 0.00 ENZB ATOM 3925 O SER 66 -3.488 3.636 5.980 0.00 0.00 ENZB ATOM 3926 N ILE 67 -3.040 5.404 4.626 0.00 0.00 ENZB ATOM 3927 HN ILE 67 -2.368 6.075 4.324 0.00 0.00 ENZB ATOM 3928 CA ILE 67 -4.281 5.203 3.951 0.00 0.00 ENZB ATOM 3929 HA ILE 67 -4.984 4.966 4.740 0.00 0.00 ENZB ATOM 3930 CB ILE 67 -4.778 6.442 3.290 0.00 0.00 ENZB ATOM 3931 HB ILE 67 -4.119 6.753 2.440 0.00 0.00 ENZB ATOM 3932 CG2 ILE 67 -6.173 6.047 2.699 0.00 0.00 ENZB ATOM 3933 HG21 ILE 67 -6.025 5.359 1.842 0.00 0.00 ENZB ATOM 3934 HG22 ILE 67 -6.631 5.527 3.568 0.00 0.00 ENZB ATOM 3935 HG23 ILE 67 -6.795 6.899 2.353 0.00 0.00 ENZB ATOM 3936 CG1 ILE 67 -4.884 7.643 4.254 0.00 0.00 ENZB ATOM 3937 HG11 ILE 67 -5.720 7.572 4.987 0.00 0.00 ENZB ATOM 3938 HG12 ILE 67 -3.974 7.852 4.862 0.00 0.00 ENZB ATOM 3939 CD ILE 67 -5.036 8.916 3.485 0.00 0.00 ENZB ATOM 3940 HD1 ILE 67 -5.956 8.888 2.863 0.00 0.00 ENZB ATOM 3941 HD2 ILE 67 -5.203 9.826 4.102 0.00 0.00 ENZB ATOM 3942 HD3 ILE 67 -4.158 9.094 2.828 0.00 0.00 ENZB ATOM 3943 C ILE 67 -4.186 3.923 3.046 0.00 0.00 ENZB ATOM 3944 O ILE 67 -5.145 3.169 2.836 0.00 0.00 ENZB ATOM 3945 N GLY 68 -2.994 3.596 2.564 0.00 0.00 ENZB ATOM 3946 HN GLY 68 -2.215 4.170 2.815 0.00 0.00 ENZB ATOM 3947 CA GLY 68 -2.676 2.417 1.776 0.00 0.00 ENZB ATOM 3948 HA1 GLY 68 -1.643 2.497 1.465 0.00 0.00 ENZB ATOM 3949 HA2 GLY 68 -3.415 2.379 0.985 0.00 0.00 ENZB ATOM 3950 C GLY 68 -2.857 1.107 2.545 0.00 0.00 ENZB ATOM 3951 O GLY 68 -2.866 0.006 2.050 0.00 0.00 ENZB ATOM 3952 N ALA 69 -3.031 1.142 3.887 0.00 0.00 ENZB ATOM 3953 HN ALA 69 -3.089 2.042 4.316 0.00 0.00 ENZB ATOM 3954 CA ALA 69 -3.261 -0.017 4.762 0.00 0.00 ENZB ATOM 3955 HA ALA 69 -2.787 -0.898 4.346 0.00 0.00 ENZB ATOM 3956 CB ALA 69 -2.804 0.242 6.172 0.00 0.00 ENZB ATOM 3957 HB1 ALA 69 -1.698 0.301 6.077 0.00 0.00 ENZB ATOM 3958 HB2 ALA 69 -3.196 1.134 6.709 0.00 0.00 ENZB ATOM 3959 HB3 ALA 69 -2.850 -0.664 6.812 0.00 0.00 ENZB ATOM 3960 C ALA 69 -4.743 -0.263 4.839 0.00 0.00 ENZB ATOM 3961 O ALA 69 -5.269 -1.319 4.542 0.00 0.00 ENZB ATOM 3962 N LEU 70 -5.463 0.731 5.347 0.00 0.00 ENZB ATOM 3963 HN LEU 70 -4.897 1.550 5.403 0.00 0.00 ENZB ATOM 3964 CA LEU 70 -6.813 0.556 5.792 0.00 0.00 ENZB ATOM 3965 HA LEU 70 -6.868 -0.368 6.354 0.00 0.00 ENZB ATOM 3966 CB LEU 70 -7.482 1.792 6.523 0.00 0.00 ENZB ATOM 3967 HB1 LEU 70 -7.570 2.601 5.760 0.00 0.00 ENZB ATOM 3968 HB2 LEU 70 -8.489 1.501 6.898 0.00 0.00 ENZB ATOM 3969 CG LEU 70 -6.665 2.274 7.750 0.00 0.00 ENZB ATOM 3970 HG LEU 70 -5.614 2.420 7.404 0.00 0.00 ENZB ATOM 3971 CD1 LEU 70 -7.184 3.616 8.168 0.00 0.00 ENZB ATOM 3972 HD11 LEU 70 -7.058 4.429 7.420 0.00 0.00 ENZB ATOM 3973 HD12 LEU 70 -8.240 3.566 8.510 0.00 0.00 ENZB ATOM 3974 HD13 LEU 70 -6.488 3.909 8.983 0.00 0.00 ENZB ATOM 3975 CD2 LEU 70 -6.775 1.292 8.909 0.00 0.00 ENZB ATOM 3976 HD21 LEU 70 -7.813 1.136 9.273 0.00 0.00 ENZB ATOM 3977 HD22 LEU 70 -6.349 0.299 8.660 0.00 0.00 ENZB ATOM 3978 HD23 LEU 70 -6.205 1.690 9.777 0.00 0.00 ENZB ATOM 3979 C LEU 70 -7.759 0.452 4.632 0.00 0.00 ENZB ATOM 3980 O LEU 70 -8.838 -0.056 4.865 0.00 0.00 ENZB ATOM 3981 N THR 71 -7.400 0.853 3.439 0.00 0.00 ENZB ATOM 3982 HN THR 71 -6.538 1.341 3.294 0.00 0.00 ENZB ATOM 3983 CA THR 71 -8.248 0.648 2.263 0.00 0.00 ENZB ATOM 3984 HA THR 71 -9.271 0.684 2.614 0.00 0.00 ENZB ATOM 3985 CB THR 71 -8.083 1.655 1.194 0.00 0.00 ENZB ATOM 3986 HB THR 71 -8.662 1.316 0.301 0.00 0.00 ENZB ATOM 3987 OG1 THR 71 -6.755 1.945 0.830 0.00 0.00 ENZB ATOM 3988 HG1 THR 71 -6.280 2.269 1.602 0.00 0.00 ENZB ATOM 3989 CG2 THR 71 -8.734 2.980 1.625 0.00 0.00 ENZB ATOM 3990 HG21 THR 71 -8.497 3.827 0.949 0.00 0.00 ENZB ATOM 3991 HG22 THR 71 -9.818 2.800 1.796 0.00 0.00 ENZB ATOM 3992 HG23 THR 71 -8.386 3.314 2.627 0.00 0.00 ENZB ATOM 3993 C THR 71 -7.911 -0.727 1.678 0.00 0.00 ENZB ATOM 3994 O THR 71 -6.763 -1.191 1.743 0.00 0.00 ENZB ATOM 3995 N PRO 72 -8.783 -1.411 0.983 0.00 0.00 ENZB ATOM 3996 CD PRO 72 -10.224 -1.030 0.752 0.00 0.00 ENZB ATOM 3997 HD1 PRO 72 -10.629 -1.192 1.777 0.00 0.00 ENZB ATOM 3998 HD2 PRO 72 -10.329 0.049 0.493 0.00 0.00 ENZB ATOM 3999 CA PRO 72 -8.493 -2.658 0.301 0.00 0.00 ENZB ATOM 4000 HA PRO 72 -8.023 -3.457 0.864 0.00 0.00 ENZB ATOM 4001 CB PRO 72 -9.973 -3.245 -0.043 0.00 0.00 ENZB ATOM 4002 HB1 PRO 72 -10.432 -3.802 0.806 0.00 0.00 ENZB ATOM 4003 HB2 PRO 72 -9.911 -4.002 -0.850 0.00 0.00 ENZB ATOM 4004 CG PRO 72 -10.772 -2.026 -0.276 0.00 0.00 ENZB ATOM 4005 HG1 PRO 72 -11.865 -2.208 -0.248 0.00 0.00 ENZB ATOM 4006 HG2 PRO 72 -10.657 -1.617 -1.305 0.00 0.00 ENZB ATOM 4007 C PRO 72 -7.709 -2.312 -1.007 0.00 0.00 ENZB ATOM 4008 O PRO 72 -7.664 -1.150 -1.442 0.00 0.00 ENZB ATOM 4009 N PRO 73 -6.979 -3.341 -1.524 0.00 0.00 ENZB ATOM 4010 CD PRO 73 -6.497 -4.481 -0.777 0.00 0.00 ENZB ATOM 4011 HD1 PRO 73 -6.241 -4.378 0.303 0.00 0.00 ENZB ATOM 4012 HD2 PRO 73 -7.289 -5.256 -0.900 0.00 0.00 ENZB ATOM 4013 CA PRO 73 -6.409 -3.281 -2.914 0.00 0.00 ENZB ATOM 4014 HA PRO 73 -5.851 -2.370 -3.090 0.00 0.00 ENZB ATOM 4015 CB PRO 73 -5.650 -4.628 -2.924 0.00 0.00 ENZB ATOM 4016 HB1 PRO 73 -4.744 -4.436 -3.542 0.00 0.00 ENZB ATOM 4017 HB2 PRO 73 -6.178 -5.446 -3.456 0.00 0.00 ENZB ATOM 4018 CG PRO 73 -5.275 -4.831 -1.496 0.00 0.00 ENZB ATOM 4019 HG1 PRO 73 -4.500 -4.088 -1.225 0.00 0.00 ENZB ATOM 4020 HG2 PRO 73 -4.964 -5.894 -1.383 0.00 0.00 ENZB ATOM 4021 C PRO 73 -7.495 -3.214 -4.001 0.00 0.00 ENZB ATOM 4022 O PRO 73 -8.665 -3.382 -3.642 0.00 0.00 ENZB ATOM 4023 N ALA 74 -7.068 -2.952 -5.312 0.00 0.00 ENZB ATOM 4024 HN ALA 74 -6.108 -2.979 -5.587 0.00 0.00 ENZB ATOM 4025 CA ALA 74 -7.878 -2.933 -6.455 0.00 0.00 ENZB ATOM 4026 HA ALA 74 -8.858 -2.499 -6.295 0.00 0.00 ENZB ATOM 4027 CB ALA 74 -7.139 -2.223 -7.595 0.00 0.00 ENZB ATOM 4028 HB1 ALA 74 -6.217 -2.802 -7.818 0.00 0.00 ENZB ATOM 4029 HB2 ALA 74 -7.644 -2.195 -8.585 0.00 0.00 ENZB ATOM 4030 HB3 ALA 74 -6.917 -1.201 -7.215 0.00 0.00 ENZB ATOM 4031 C ALA 74 -8.194 -4.320 -6.912 0.00 0.00 ENZB ATOM 4032 O ALA 74 -9.299 -4.797 -6.829 0.00 0.00 ENZB ATOM 4033 N GLY 75 -7.178 -5.035 -7.400 0.00 0.00 ENZB ATOM 4034 HN GLY 75 -6.276 -4.604 -7.380 0.00 0.00 ENZB ATOM 4035 CA GLY 75 -7.256 -6.358 -7.976 0.00 0.00 ENZB ATOM 4036 HA1 GLY 75 -8.169 -6.803 -7.604 0.00 0.00 ENZB ATOM 4037 HA2 GLY 75 -6.313 -6.826 -7.726 0.00 0.00 ENZB ATOM 4038 C GLY 75 -7.455 -6.257 -9.525 0.00 0.00 ENZB ATOM 4039 O GLY 75 -7.138 -5.186 -10.086 0.00 0.00 ENZB ATOM 4040 N ASN 76 -7.975 -7.286 -10.276 0.00 0.00 ENZB ATOM 4041 HN ASN 76 -8.145 -8.145 -9.794 0.00 0.00 ENZB ATOM 4042 CA ASN 76 -8.168 -7.295 -11.711 0.00 0.00 ENZB ATOM 4043 HA ASN 76 -7.297 -6.876 -12.203 0.00 0.00 ENZB ATOM 4044 CB ASN 76 -8.256 -8.784 -12.151 0.00 0.00 ENZB ATOM 4045 HB1 ASN 76 -9.117 -9.154 -11.550 0.00 0.00 ENZB ATOM 4046 HB2 ASN 76 -8.484 -8.874 -13.232 0.00 0.00 ENZB ATOM 4047 CG ASN 76 -7.017 -9.715 -11.926 0.00 0.00 ENZB ATOM 4048 OD1 ASN 76 -6.852 -10.576 -11.053 0.00 0.00 ENZB ATOM 4049 ND2 ASN 76 -5.926 -9.286 -12.547 0.00 0.00 ENZB ATOM 4050 HD21 ASN 76 -5.106 -9.822 -12.372 0.00 0.00 ENZB ATOM 4051 HD22 ASN 76 -5.842 -8.583 -13.248 0.00 0.00 ENZB ATOM 4052 C ASN 76 -9.286 -6.502 -12.236 0.00 0.00 ENZB ATOM 4053 O ASN 76 -10.371 -6.655 -11.819 0.00 0.00 ENZB ATOM 4054 N ASP 77 -9.066 -5.643 -13.206 0.00 0.00 ENZB ATOM 4055 HN ASP 77 -8.164 -5.417 -13.565 0.00 0.00 ENZB ATOM 4056 CA ASP 77 -10.048 -4.992 -14.035 0.00 0.00 ENZB ATOM 4057 HA ASP 77 -10.948 -4.598 -13.578 0.00 0.00 ENZB ATOM 4058 CB ASP 77 -9.473 -3.810 -14.875 0.00 0.00 ENZB ATOM 4059 HB1 ASP 77 -10.139 -3.618 -15.741 0.00 0.00 ENZB ATOM 4060 HB2 ASP 77 -9.513 -2.935 -14.197 0.00 0.00 ENZB ATOM 4061 CG ASP 77 -8.072 -3.886 -15.375 0.00 0.00 ENZB ATOM 4062 OD1 ASP 77 -7.738 -3.206 -16.398 0.00 0.00 ENZB ATOM 4063 OD2 ASP 77 -7.249 -4.686 -14.808 0.00 0.00 ENZB ATOM 4064 C ASP 77 -10.563 -6.031 -15.030 0.00 0.00 ENZB ATOM 4065 O ASP 77 -11.784 -6.100 -15.305 0.00 0.00 ENZB ATOM 4066 N LEU 78 -9.608 -6.874 -15.453 0.00 0.00 ENZB ATOM 4067 HN LEU 78 -8.651 -6.748 -15.200 0.00 0.00 ENZB ATOM 4068 CA LEU 78 -9.868 -8.028 -16.411 0.00 0.00 ENZB ATOM 4069 HA LEU 78 -10.639 -7.716 -17.103 0.00 0.00 ENZB ATOM 4070 CB LEU 78 -8.542 -8.480 -17.048 0.00 0.00 ENZB ATOM 4071 HB1 LEU 78 -7.833 -8.785 -16.245 0.00 0.00 ENZB ATOM 4072 HB2 LEU 78 -8.778 -9.318 -17.742 0.00 0.00 ENZB ATOM 4073 CG LEU 78 -7.772 -7.388 -17.848 0.00 0.00 ENZB ATOM 4074 HG LEU 78 -7.641 -6.417 -17.312 0.00 0.00 ENZB ATOM 4075 CD1 LEU 78 -6.345 -7.898 -18.149 0.00 0.00 ENZB ATOM 4076 HD11 LEU 78 -6.391 -8.690 -18.927 0.00 0.00 ENZB ATOM 4077 HD12 LEU 78 -5.903 -7.058 -18.728 0.00 0.00 ENZB ATOM 4078 HD13 LEU 78 -5.704 -8.200 -17.294 0.00 0.00 ENZB ATOM 4079 CD2 LEU 78 -8.506 -7.048 -19.172 0.00 0.00 ENZB ATOM 4080 HD21 LEU 78 -7.936 -6.615 -20.022 0.00 0.00 ENZB ATOM 4081 HD22 LEU 78 -8.966 -7.945 -19.634 0.00 0.00 ENZB ATOM 4082 HD23 LEU 78 -9.360 -6.346 -19.058 0.00 0.00 ENZB ATOM 4083 C LEU 78 -10.443 -9.256 -15.658 0.00 0.00 ENZB ATOM 4084 O LEU 78 -10.619 -9.289 -14.449 0.00 0.00 ENZB ATOM 4085 N ASP 79 -10.730 -10.372 -16.420 0.00 0.00 ENZB ATOM 4086 HN ASP 79 -10.834 -10.253 -17.404 0.00 0.00 ENZB ATOM 4087 CA ASP 79 -11.142 -11.677 -15.887 0.00 0.00 ENZB ATOM 4088 HA ASP 79 -11.304 -11.549 -14.823 0.00 0.00 ENZB ATOM 4089 CB ASP 79 -12.433 -12.173 -16.683 0.00 0.00 ENZB ATOM 4090 HB1 ASP 79 -12.270 -12.075 -17.775 0.00 0.00 ENZB ATOM 4091 HB2 ASP 79 -12.643 -13.220 -16.390 0.00 0.00 ENZB ATOM 4092 CG ASP 79 -13.654 -11.354 -16.345 0.00 0.00 ENZB ATOM 4093 OD1 ASP 79 -14.428 -11.118 -17.332 0.00 0.00 ENZB ATOM 4094 OD2 ASP 79 -13.950 -11.187 -15.095 0.00 0.00 ENZB ATOM 4095 C ASP 79 -10.001 -12.636 -16.131 0.00 0.00 ENZB ATOM 4096 O ASP 79 -9.000 -12.174 -16.737 0.00 0.00 ENZB ATOM 4097 N ASP 80 -10.019 -13.910 -15.719 0.00 0.00 ENZB ATOM 4098 HN ASP 80 -10.876 -14.220 -15.317 0.00 0.00 ENZB ATOM 4099 CA ASP 80 -9.043 -14.882 -16.132 0.00 0.00 ENZB ATOM 4100 HA ASP 80 -8.139 -14.336 -16.376 0.00 0.00 ENZB ATOM 4101 CB ASP 80 -8.742 -15.944 -15.066 0.00 0.00 ENZB ATOM 4102 HB1 ASP 80 -9.584 -16.569 -14.698 0.00 0.00 ENZB ATOM 4103 HB2 ASP 80 -7.983 -16.677 -15.400 0.00 0.00 ENZB ATOM 4104 CG ASP 80 -8.132 -15.313 -13.845 0.00 0.00 ENZB ATOM 4105 OD1 ASP 80 -8.673 -15.527 -12.730 0.00 0.00 ENZB ATOM 4106 OD2 ASP 80 -7.132 -14.589 -14.015 0.00 0.00 ENZB ATOM 4107 C ASP 80 -9.492 -15.577 -17.388 0.00 0.00 ENZB ATOM 4108 O ASP 80 -10.646 -16.045 -17.552 0.00 0.00 ENZB ATOM 4109 N GLY 81 -8.586 -15.630 -18.401 0.00 0.00 ENZB ATOM 4110 HN GLY 81 -7.640 -15.320 -18.320 0.00 0.00 ENZB ATOM 4111 CA GLY 81 -8.746 -16.100 -19.739 0.00 0.00 ENZB ATOM 4112 HA1 GLY 81 -9.691 -15.700 -20.076 0.00 0.00 ENZB ATOM 4113 HA2 GLY 81 -8.660 -17.177 -19.797 0.00 0.00 ENZB ATOM 4114 C GLY 81 -7.639 -15.563 -20.581 0.00 0.00 ENZB ATOM 4115 O GLY 81 -6.946 -14.661 -20.146 0.00 0.00 ENZB ATOM 4116 N VAL 82 -7.478 -15.949 -21.927 0.00 0.00 ENZB ATOM 4117 HN VAL 82 -8.013 -16.700 -22.305 0.00 0.00 ENZB ATOM 4118 CA VAL 82 -6.534 -15.251 -22.873 0.00 0.00 ENZB ATOM 4119 HA VAL 82 -5.548 -15.508 -22.506 0.00 0.00 ENZB ATOM 4120 CB VAL 82 -6.544 -15.812 -24.364 0.00 0.00 ENZB ATOM 4121 HB VAL 82 -5.801 -15.313 -25.035 0.00 0.00 ENZB ATOM 4122 CG1 VAL 82 -6.049 -17.322 -24.341 0.00 0.00 ENZB ATOM 4123 HG11 VAL 82 -6.141 -17.707 -25.379 0.00 0.00 ENZB ATOM 4124 HG12 VAL 82 -4.977 -17.356 -24.058 0.00 0.00 ENZB ATOM 4125 HG13 VAL 82 -6.622 -17.973 -23.646 0.00 0.00 ENZB ATOM 4126 CG2 VAL 82 -8.009 -15.809 -24.887 0.00 0.00 ENZB ATOM 4127 HG21 VAL 82 -8.394 -14.770 -24.804 0.00 0.00 ENZB ATOM 4128 HG22 VAL 82 -8.091 -16.196 -25.925 0.00 0.00 ENZB ATOM 4129 HG23 VAL 82 -8.650 -16.449 -24.246 0.00 0.00 ENZB ATOM 4130 C VAL 82 -6.576 -13.758 -22.938 0.00 0.00 ENZB ATOM 4131 O VAL 82 -7.644 -13.151 -23.009 0.00 0.00 ENZB ATOM 4132 N ILE 83 -5.379 -13.079 -22.925 0.00 0.00 ENZB ATOM 4133 HN ILE 83 -4.512 -13.571 -22.953 0.00 0.00 ENZB ATOM 4134 CA ILE 83 -5.400 -11.609 -23.003 0.00 0.00 ENZB ATOM 4135 HA ILE 83 -6.340 -11.205 -22.646 0.00 0.00 ENZB ATOM 4136 CB ILE 83 -4.414 -11.003 -22.022 0.00 0.00 ENZB ATOM 4137 HB ILE 83 -3.367 -11.234 -22.342 0.00 0.00 ENZB ATOM 4138 CG2 ILE 83 -4.613 -9.476 -22.036 0.00 0.00 ENZB ATOM 4139 HG21 ILE 83 -4.572 -9.073 -23.069 0.00 0.00 ENZB ATOM 4140 HG22 ILE 83 -5.650 -9.296 -21.681 0.00 0.00 ENZB ATOM 4141 HG23 ILE 83 -3.876 -9.018 -21.344 0.00 0.00 ENZB ATOM 4142 CG1 ILE 83 -4.548 -11.388 -20.514 0.00 0.00 ENZB ATOM 4143 HG11 ILE 83 -4.105 -12.409 -20.470 0.00 0.00 ENZB ATOM 4144 HG12 ILE 83 -3.865 -10.724 -19.934 0.00 0.00 ENZB ATOM 4145 CD ILE 83 -6.046 -11.479 -20.027 0.00 0.00 ENZB ATOM 4146 HD1 ILE 83 -6.616 -12.196 -20.654 0.00 0.00 ENZB ATOM 4147 HD2 ILE 83 -6.132 -11.868 -18.989 0.00 0.00 ENZB ATOM 4148 HD3 ILE 83 -6.561 -10.507 -20.168 0.00 0.00 ENZB ATOM 4149 C ILE 83 -5.104 -11.077 -24.323 0.00 0.00 ENZB ATOM 4150 O ILE 83 -3.969 -10.786 -24.650 0.00 0.00 ENZB ATOM 4151 N ILE 84 -6.068 -11.028 -25.142 0.00 0.00 ENZB ATOM 4152 HN ILE 84 -6.944 -11.404 -24.845 0.00 0.00 ENZB ATOM 4153 CA ILE 84 -5.929 -10.905 -26.586 0.00 0.00 ENZB ATOM 4154 HA ILE 84 -4.871 -11.007 -26.795 0.00 0.00 ENZB ATOM 4155 CB ILE 84 -6.657 -12.174 -27.201 0.00 0.00 ENZB ATOM 4156 HB ILE 84 -6.242 -13.058 -26.653 0.00 0.00 ENZB ATOM 4157 CG2 ILE 84 -8.172 -12.314 -26.820 0.00 0.00 ENZB ATOM 4158 HG21 ILE 84 -8.834 -11.624 -27.381 0.00 0.00 ENZB ATOM 4159 HG22 ILE 84 -8.560 -13.307 -27.127 0.00 0.00 ENZB ATOM 4160 HG23 ILE 84 -8.216 -12.233 -25.713 0.00 0.00 ENZB ATOM 4161 CG1 ILE 84 -6.358 -12.422 -28.716 0.00 0.00 ENZB ATOM 4162 HG11 ILE 84 -6.847 -13.392 -28.956 0.00 0.00 ENZB ATOM 4163 HG12 ILE 84 -6.797 -11.637 -29.373 0.00 0.00 ENZB ATOM 4164 CD ILE 84 -4.878 -12.484 -28.983 0.00 0.00 ENZB ATOM 4165 HD1 ILE 84 -4.382 -13.397 -28.591 0.00 0.00 ENZB ATOM 4166 HD2 ILE 84 -4.627 -12.403 -30.063 0.00 0.00 ENZB ATOM 4167 HD3 ILE 84 -4.307 -11.687 -28.461 0.00 0.00 ENZB ATOM 4168 C ILE 84 -6.409 -9.495 -27.165 0.00 0.00 ENZB ATOM 4169 O ILE 84 -7.468 -9.345 -27.775 0.00 0.00 ENZB ATOM 4170 N GLN 85 -5.607 -8.451 -26.990 0.00 0.00 ENZB ATOM 4171 HN GLN 85 -4.775 -8.528 -26.443 0.00 0.00 ENZB ATOM 4172 CA GLN 85 -5.791 -7.169 -27.510 0.00 0.00 ENZB ATOM 4173 HA GLN 85 -6.863 -7.064 -27.631 0.00 0.00 ENZB ATOM 4174 CB GLN 85 -5.183 -6.195 -26.491 0.00 0.00 ENZB ATOM 4175 HB1 GLN 85 -5.691 -6.308 -25.506 0.00 0.00 ENZB ATOM 4176 HB2 GLN 85 -4.116 -6.397 -26.242 0.00 0.00 ENZB ATOM 4177 CG GLN 85 -5.365 -4.739 -27.061 0.00 0.00 ENZB ATOM 4178 HG1 GLN 85 -4.898 -4.627 -28.063 0.00 0.00 ENZB ATOM 4179 HG2 GLN 85 -6.436 -4.483 -27.196 0.00 0.00 ENZB ATOM 4180 CD GLN 85 -4.631 -3.753 -26.184 0.00 0.00 ENZB ATOM 4181 OE1 GLN 85 -3.366 -3.712 -26.093 0.00 0.00 ENZB ATOM 4182 NE2 GLN 85 -5.436 -3.012 -25.434 0.00 0.00 ENZB ATOM 4183 HE21 GLN 85 -5.068 -2.579 -24.616 0.00 0.00 ENZB ATOM 4184 HE22 GLN 85 -6.427 -3.006 -25.507 0.00 0.00 ENZB ATOM 4185 C GLN 85 -5.077 -6.985 -28.910 0.00 0.00 ENZB ATOM 4186 O GLN 85 -3.957 -7.390 -29.062 0.00 0.00 ENZB ATOM 4187 N MET 86 -5.824 -6.557 -29.964 0.00 0.00 ENZB ATOM 4188 HN MET 86 -6.783 -6.298 -29.868 0.00 0.00 ENZB ATOM 4189 CA MET 86 -5.331 -6.406 -31.382 0.00 0.00 ENZB ATOM 4190 HA MET 86 -4.399 -6.953 -31.428 0.00 0.00 ENZB ATOM 4191 CB MET 86 -6.399 -6.972 -32.390 0.00 0.00 ENZB ATOM 4192 HB1 MET 86 -7.406 -6.511 -32.268 0.00 0.00 ENZB ATOM 4193 HB2 MET 86 -6.161 -6.700 -33.443 0.00 0.00 ENZB ATOM 4194 CG MET 86 -6.570 -8.491 -32.362 0.00 0.00 ENZB ATOM 4195 HG1 MET 86 -6.735 -8.801 -31.306 0.00 0.00 ENZB ATOM 4196 HG2 MET 86 -7.540 -8.730 -32.851 0.00 0.00 ENZB ATOM 4197 SD MET 86 -5.210 -9.577 -33.040 0.00 0.00 ENZB ATOM 4198 CE MET 86 -5.405 -9.064 -34.796 0.00 0.00 ENZB ATOM 4199 HE1 MET 86 -6.504 -9.159 -34.930 0.00 0.00 ENZB ATOM 4200 HE2 MET 86 -5.146 -8.013 -35.050 0.00 0.00 ENZB ATOM 4201 HE3 MET 86 -4.992 -9.830 -35.487 0.00 0.00 ENZB ATOM 4202 C MET 86 -4.891 -4.949 -31.679 0.00 0.00 ENZB ATOM 4203 O MET 86 -5.292 -4.048 -30.872 0.00 0.00 ENZB ATOM 4204 N PRO 87 -4.188 -4.632 -32.721 0.00 0.00 ENZB ATOM 4205 CD PRO 87 -3.599 -5.654 -33.585 0.00 0.00 ENZB ATOM 4206 HD1 PRO 87 -3.250 -6.516 -32.974 0.00 0.00 ENZB ATOM 4207 HD2 PRO 87 -4.254 -5.954 -34.436 0.00 0.00 ENZB ATOM 4208 CA PRO 87 -3.548 -3.307 -32.899 0.00 0.00 ENZB ATOM 4209 HA PRO 87 -2.889 -3.124 -32.059 0.00 0.00 ENZB ATOM 4210 CB PRO 87 -2.666 -3.533 -34.091 0.00 0.00 ENZB ATOM 4211 HB1 PRO 87 -1.729 -2.936 -34.158 0.00 0.00 ENZB ATOM 4212 HB2 PRO 87 -3.201 -3.308 -35.036 0.00 0.00 ENZB ATOM 4213 CG PRO 87 -2.337 -5.014 -34.115 0.00 0.00 ENZB ATOM 4214 HG1 PRO 87 -1.551 -5.343 -33.408 0.00 0.00 ENZB ATOM 4215 HG2 PRO 87 -2.068 -5.379 -35.133 0.00 0.00 ENZB ATOM 4216 C PRO 87 -4.497 -2.117 -33.083 0.00 0.00 ENZB ATOM 4217 O PRO 87 -4.095 -0.933 -33.044 0.00 0.00 ENZB ATOM 4218 N ASP 88 -5.766 -2.530 -33.348 0.00 0.00 ENZB ATOM 4219 HN ASP 88 -5.959 -3.508 -33.356 0.00 0.00 ENZB ATOM 4220 CA ASP 88 -6.794 -1.593 -33.708 0.00 0.00 ENZB ATOM 4221 HA ASP 88 -6.506 -0.670 -34.198 0.00 0.00 ENZB ATOM 4222 CB ASP 88 -7.820 -2.275 -34.557 0.00 0.00 ENZB ATOM 4223 HB1 ASP 88 -8.760 -1.754 -34.826 0.00 0.00 ENZB ATOM 4224 HB2 ASP 88 -7.424 -2.669 -35.515 0.00 0.00 ENZB ATOM 4225 CG ASP 88 -8.373 -3.670 -34.117 0.00 0.00 ENZB ATOM 4226 OD1 ASP 88 -9.393 -3.692 -33.389 0.00 0.00 ENZB ATOM 4227 OD2 ASP 88 -7.708 -4.691 -34.444 0.00 0.00 ENZB ATOM 4228 C ASP 88 -7.274 -0.915 -32.399 0.00 0.00 ENZB ATOM 4229 O ASP 88 -7.235 0.273 -32.178 0.00 0.00 ENZB ATOM 4230 N GLU 89 -7.660 -1.724 -31.404 0.00 0.00 ENZB ATOM 4231 HN GLU 89 -7.796 -2.684 -31.640 0.00 0.00 ENZB ATOM 4232 CA GLU 89 -8.114 -1.329 -30.092 0.00 0.00 ENZB ATOM 4233 HA GLU 89 -9.100 -0.882 -30.109 0.00 0.00 ENZB ATOM 4234 CB GLU 89 -8.188 -2.689 -29.336 0.00 0.00 ENZB ATOM 4235 HB1 GLU 89 -7.219 -3.227 -29.453 0.00 0.00 ENZB ATOM 4236 HB2 GLU 89 -8.427 -2.534 -28.259 0.00 0.00 ENZB ATOM 4237 CG GLU 89 -9.331 -3.568 -29.926 0.00 0.00 ENZB ATOM 4238 HG1 GLU 89 -10.330 -3.110 -29.807 0.00 0.00 ENZB ATOM 4239 HG2 GLU 89 -9.099 -3.694 -31.002 0.00 0.00 ENZB ATOM 4240 CD GLU 89 -9.283 -4.972 -29.273 0.00 0.00 ENZB ATOM 4241 OE1 GLU 89 -8.245 -5.551 -29.025 0.00 0.00 ENZB ATOM 4242 OE2 GLU 89 -10.499 -5.595 -28.998 0.00 0.00 ENZB ATOM 4243 HE2 GLU 89 -10.346 -6.505 -28.732 0.00 0.00 ENZB ATOM 4244 C GLU 89 -7.102 -0.507 -29.207 0.00 0.00 ENZB ATOM 4245 O GLU 89 -7.404 -0.020 -28.174 0.00 0.00 ENZB ATOM 4246 N ARG 90 -5.841 -0.395 -29.645 0.00 0.00 ENZB ATOM 4247 HN ARG 90 -5.534 -0.681 -30.550 0.00 0.00 ENZB ATOM 4248 CA ARG 90 -4.875 0.111 -28.688 0.00 0.00 ENZB ATOM 4249 HA ARG 90 -5.042 -0.319 -27.708 0.00 0.00 ENZB ATOM 4250 CB ARG 90 -3.438 -0.293 -29.031 0.00 0.00 ENZB ATOM 4251 HB1 ARG 90 -2.949 0.408 -29.750 0.00 0.00 ENZB ATOM 4252 HB2 ARG 90 -2.760 -0.117 -28.168 0.00 0.00 ENZB ATOM 4253 CG ARG 90 -3.368 -1.822 -29.345 0.00 0.00 ENZB ATOM 4254 HG1 ARG 90 -3.922 -2.398 -28.570 0.00 0.00 ENZB ATOM 4255 HG2 ARG 90 -3.861 -1.973 -30.333 0.00 0.00 ENZB ATOM 4256 CD ARG 90 -1.925 -2.295 -29.379 0.00 0.00 ENZB ATOM 4257 HD1 ARG 90 -1.393 -1.971 -28.454 0.00 0.00 ENZB ATOM 4258 HD2 ARG 90 -2.053 -3.395 -29.519 0.00 0.00 ENZB ATOM 4259 NE ARG 90 -1.371 -1.613 -30.588 0.00 0.00 ENZB ATOM 4260 HE ARG 90 -1.836 -0.838 -31.031 0.00 0.00 ENZB ATOM 4261 CZ ARG 90 -0.360 -2.145 -31.296 0.00 0.00 ENZB ATOM 4262 NH1 ARG 90 0.103 -3.345 -31.139 0.00 0.00 ENZB ATOM 4263 HH11 ARG 90 0.575 -3.638 -31.959 0.00 0.00 ENZB ATOM 4264 HH12 ARG 90 -0.497 -4.026 -30.711 0.00 0.00 ENZB ATOM 4265 NH2 ARG 90 0.038 -1.464 -32.398 0.00 0.00 ENZB ATOM 4266 HH21 ARG 90 0.868 -1.704 -32.882 0.00 0.00 ENZB ATOM 4267 HH22 ARG 90 -0.361 -0.561 -32.475 0.00 0.00 ENZB ATOM 4268 C ARG 90 -4.893 1.678 -28.579 0.00 0.00 ENZB ATOM 4269 O ARG 90 -4.798 2.347 -29.629 0.00 0.00 ENZB ATOM 4270 N PRO 91 -4.961 2.368 -27.399 0.00 0.00 ENZB ATOM 4271 CD PRO 91 -5.493 1.854 -26.164 0.00 0.00 ENZB ATOM 4272 HD1 PRO 91 -6.407 1.237 -26.313 0.00 0.00 ENZB ATOM 4273 HD2 PRO 91 -4.765 1.457 -25.420 0.00 0.00 ENZB ATOM 4274 CA PRO 91 -4.757 3.791 -27.360 0.00 0.00 ENZB ATOM 4275 HA PRO 91 -5.473 4.252 -28.030 0.00 0.00 ENZB ATOM 4276 CB PRO 91 -5.054 4.161 -25.907 0.00 0.00 ENZB ATOM 4277 HB1 PRO 91 -5.400 5.220 -25.870 0.00 0.00 ENZB ATOM 4278 HB2 PRO 91 -4.118 4.025 -25.329 0.00 0.00 ENZB ATOM 4279 CG PRO 91 -6.066 3.158 -25.478 0.00 0.00 ENZB ATOM 4280 HG1 PRO 91 -7.036 3.272 -26.002 0.00 0.00 ENZB ATOM 4281 HG2 PRO 91 -6.227 3.062 -24.381 0.00 0.00 ENZB ATOM 4282 C PRO 91 -3.397 4.275 -27.822 0.00 0.00 ENZB ATOM 4283 O PRO 91 -2.403 3.687 -27.489 0.00 0.00 ENZB ATOM 4284 N ILE 92 -3.295 5.437 -28.562 0.00 0.00 ENZB ATOM 4285 HN ILE 92 -4.109 5.889 -28.921 0.00 0.00 ENZB ATOM 4286 CA ILE 92 -2.045 6.017 -28.949 0.00 0.00 ENZB ATOM 4287 HA ILE 92 -1.283 5.399 -28.491 0.00 0.00 ENZB ATOM 4288 CB ILE 92 -1.841 6.023 -30.557 0.00 0.00 ENZB ATOM 4289 HB ILE 92 -2.460 6.771 -31.114 0.00 0.00 ENZB ATOM 4290 CG2 ILE 92 -0.363 6.332 -30.844 0.00 0.00 ENZB ATOM 4291 HG21 ILE 92 0.297 5.448 -30.722 0.00 0.00 ENZB ATOM 4292 HG22 ILE 92 -0.190 6.574 -31.914 0.00 0.00 ENZB ATOM 4293 HG23 ILE 92 -0.002 7.168 -30.208 0.00 0.00 ENZB ATOM 4294 CG1 ILE 92 -2.136 4.609 -30.994 0.00 0.00 ENZB ATOM 4295 HG11 ILE 92 -1.421 3.920 -30.494 0.00 0.00 ENZB ATOM 4296 HG12 ILE 92 -3.197 4.408 -30.727 0.00 0.00 ENZB ATOM 4297 CD ILE 92 -1.964 4.441 -32.441 0.00 0.00 ENZB ATOM 4298 HD1 ILE 92 -2.412 3.468 -32.738 0.00 0.00 ENZB ATOM 4299 HD2 ILE 92 -2.604 5.142 -33.019 0.00 0.00 ENZB ATOM 4300 HD3 ILE 92 -0.911 4.412 -32.793 0.00 0.00 ENZB ATOM 4301 C ILE 92 -1.733 7.363 -28.222 0.00 0.00 ENZB ATOM 4302 O ILE 92 -2.530 8.317 -28.309 0.00 0.00 ENZB ATOM 4303 N LEU 93 -0.679 7.453 -27.502 0.00 0.00 ENZB ATOM 4304 HN LEU 93 0.017 6.738 -27.526 0.00 0.00 ENZB ATOM 4305 CA LEU 93 -0.268 8.624 -26.756 0.00 0.00 ENZB ATOM 4306 HA LEU 93 -1.007 9.365 -27.032 0.00 0.00 ENZB ATOM 4307 CB LEU 93 -0.164 8.284 -25.285 0.00 0.00 ENZB ATOM 4308 HB1 LEU 93 0.436 7.347 -25.215 0.00 0.00 ENZB ATOM 4309 HB2 LEU 93 0.374 9.180 -24.904 0.00 0.00 ENZB ATOM 4310 CG LEU 93 -1.471 8.096 -24.457 0.00 0.00 ENZB ATOM 4311 HG LEU 93 -1.156 7.859 -23.412 0.00 0.00 ENZB ATOM 4312 CD1 LEU 93 -2.397 9.342 -24.455 0.00 0.00 ENZB ATOM 4313 HD11 LEU 93 -2.620 9.446 -25.540 0.00 0.00 ENZB ATOM 4314 HD12 LEU 93 -3.377 9.142 -23.969 0.00 0.00 ENZB ATOM 4315 HD13 LEU 93 -1.842 10.172 -23.969 0.00 0.00 ENZB ATOM 4316 CD2 LEU 93 -2.301 6.962 -24.871 0.00 0.00 ENZB ATOM 4317 HD21 LEU 93 -2.896 7.259 -25.762 0.00 0.00 ENZB ATOM 4318 HD22 LEU 93 -1.708 6.070 -25.153 0.00 0.00 ENZB ATOM 4319 HD23 LEU 93 -3.048 6.807 -24.063 0.00 0.00 ENZB ATOM 4320 C LEU 93 1.068 9.089 -27.284 0.00 0.00 ENZB ATOM 4321 O LEU 93 1.897 8.320 -27.789 0.00 0.00 ENZB ATOM 4322 N LYS 94 1.365 10.379 -27.149 0.00 0.00 ENZB ATOM 4323 HN LYS 94 0.602 10.923 -26.808 0.00 0.00 ENZB ATOM 4324 CA LYS 94 2.524 10.963 -27.797 0.00 0.00 ENZB ATOM 4325 HA LYS 94 2.958 10.295 -28.531 0.00 0.00 ENZB ATOM 4326 CB LYS 94 2.086 12.261 -28.440 0.00 0.00 ENZB ATOM 4327 HB1 LYS 94 1.813 13.033 -27.683 0.00 0.00 ENZB ATOM 4328 HB2 LYS 94 2.960 12.747 -28.930 0.00 0.00 ENZB ATOM 4329 CG LYS 94 0.965 12.045 -29.472 0.00 0.00 ENZB ATOM 4330 HG1 LYS 94 1.183 11.144 -30.088 0.00 0.00 ENZB ATOM 4331 HG2 LYS 94 0.074 11.942 -28.812 0.00 0.00 ENZB ATOM 4332 CD LYS 94 0.620 13.306 -30.371 0.00 0.00 ENZB ATOM 4333 HD1 LYS 94 0.419 14.191 -29.725 0.00 0.00 ENZB ATOM 4334 HD2 LYS 94 1.573 13.519 -30.909 0.00 0.00 ENZB ATOM 4335 CE LYS 94 -0.482 13.132 -31.390 0.00 0.00 ENZB ATOM 4336 HE1 LYS 94 -0.618 13.981 -32.098 0.00 0.00 ENZB ATOM 4337 HE2 LYS 94 -0.396 12.211 -32.007 0.00 0.00 ENZB ATOM 4338 NZ LYS 94 -1.764 13.040 -30.689 0.00 0.00 ENZB ATOM 4339 HZ1 LYS 94 -2.625 12.904 -31.258 0.00 0.00 ENZB ATOM 4340 HZ2 LYS 94 -1.752 12.399 -29.871 0.00 0.00 ENZB ATOM 4341 HZ3 LYS 94 -1.969 13.965 -30.261 0.00 0.00 ENZB ATOM 4342 C LYS 94 3.593 11.189 -26.695 0.00 0.00 ENZB ATOM 4343 O LYS 94 3.298 11.516 -25.571 0.00 0.00 ENZB ATOM 4344 N GLY 95 4.886 11.112 -26.996 0.00 0.00 ENZB ATOM 4345 HN GLY 95 5.210 10.901 -27.918 0.00 0.00 ENZB ATOM 4346 CA GLY 95 5.957 11.295 -25.998 0.00 0.00 ENZB ATOM 4347 HA1 GLY 95 6.749 10.588 -26.205 0.00 0.00 ENZB ATOM 4348 HA2 GLY 95 5.608 11.346 -24.976 0.00 0.00 ENZB ATOM 4349 C GLY 95 6.658 12.605 -26.390 0.00 0.00 ENZB ATOM 4350 O GLY 95 7.733 12.563 -26.912 0.00 0.00 ENZB ATOM 4351 N VAL 96 5.964 13.717 -26.141 0.00 0.00 ENZB ATOM 4352 HN VAL 96 5.018 13.605 -25.844 0.00 0.00 ENZB ATOM 4353 CA VAL 96 6.551 15.021 -26.394 0.00 0.00 ENZB ATOM 4354 HA VAL 96 7.010 14.939 -27.371 0.00 0.00 ENZB ATOM 4355 CB VAL 96 5.364 16.072 -26.546 0.00 0.00 ENZB ATOM 4356 HB VAL 96 4.791 16.194 -25.593 0.00 0.00 ENZB ATOM 4357 CG1 VAL 96 5.903 17.477 -26.990 0.00 0.00 ENZB ATOM 4358 HG11 VAL 96 6.414 17.368 -27.970 0.00 0.00 ENZB ATOM 4359 HG12 VAL 96 5.089 18.213 -27.154 0.00 0.00 ENZB ATOM 4360 HG13 VAL 96 6.627 17.857 -26.236 0.00 0.00 ENZB ATOM 4361 CG2 VAL 96 4.284 15.410 -27.494 0.00 0.00 ENZB ATOM 4362 HG21 VAL 96 4.727 15.013 -28.432 0.00 0.00 ENZB ATOM 4363 HG22 VAL 96 3.774 14.575 -26.965 0.00 0.00 ENZB ATOM 4364 HG23 VAL 96 3.506 16.122 -27.841 0.00 0.00 ENZB ATOM 4365 C VAL 96 7.594 15.473 -25.299 0.00 0.00 ENZB ATOM 4366 O VAL 96 7.297 15.504 -24.079 0.00 0.00 ENZB ATOM 4367 N ARG 97 8.822 15.758 -25.668 0.00 0.00 ENZB ATOM 4368 HN ARG 97 9.071 15.788 -26.634 0.00 0.00 ENZB ATOM 4369 CA ARG 97 9.847 16.227 -24.766 0.00 0.00 ENZB ATOM 4370 HA ARG 97 9.366 16.449 -23.823 0.00 0.00 ENZB ATOM 4371 CB ARG 97 11.113 15.396 -24.642 0.00 0.00 ENZB ATOM 4372 HB1 ARG 97 11.411 15.122 -25.683 0.00 0.00 ENZB ATOM 4373 HB2 ARG 97 11.912 16.037 -24.209 0.00 0.00 ENZB ATOM 4374 CG ARG 97 10.870 14.213 -23.633 0.00 0.00 ENZB ATOM 4375 HG1 ARG 97 10.504 14.611 -22.660 0.00 0.00 ENZB ATOM 4376 HG2 ARG 97 10.030 13.591 -24.021 0.00 0.00 ENZB ATOM 4377 CD ARG 97 11.938 13.152 -23.436 0.00 0.00 ENZB ATOM 4378 HD1 ARG 97 12.189 12.667 -24.407 0.00 0.00 ENZB ATOM 4379 HD2 ARG 97 12.835 13.585 -22.931 0.00 0.00 ENZB ATOM 4380 NE ARG 97 11.298 12.101 -22.536 0.00 0.00 ENZB ATOM 4381 HE ARG 97 10.600 12.389 -21.870 0.00 0.00 ENZB ATOM 4382 CZ ARG 97 11.760 10.874 -22.495 0.00 0.00 ENZB ATOM 4383 NH1 ARG 97 12.774 10.408 -23.218 0.00 0.00 ENZB ATOM 4384 HH11 ARG 97 13.052 9.463 -23.105 0.00 0.00 ENZB ATOM 4385 HH12 ARG 97 13.445 11.085 -23.523 0.00 0.00 ENZB ATOM 4386 NH2 ARG 97 11.153 9.997 -21.746 0.00 0.00 ENZB ATOM 4387 HH21 ARG 97 11.377 9.032 -21.724 0.00 0.00 ENZB ATOM 4388 HH22 ARG 97 10.248 10.311 -21.483 0.00 0.00 ENZB ATOM 4389 C ARG 97 10.286 17.613 -25.325 0.00 0.00 ENZB ATOM 4390 O ARG 97 10.935 17.644 -26.345 0.00 0.00 ENZB ATOM 4391 N ASP 98 9.939 18.751 -24.666 0.00 0.00 ENZB ATOM 4392 HN ASP 98 9.358 18.650 -23.864 0.00 0.00 ENZB ATOM 4393 CA ASP 98 10.657 20.001 -24.865 0.00 0.00 ENZB ATOM 4394 HA ASP 98 10.135 20.711 -24.233 0.00 0.00 ENZB ATOM 4395 CB ASP 98 12.044 19.722 -24.303 0.00 0.00 ENZB ATOM 4396 HB1 ASP 98 12.486 18.774 -24.673 0.00 0.00 ENZB ATOM 4397 HB2 ASP 98 12.797 20.511 -24.497 0.00 0.00 ENZB ATOM 4398 CG ASP 98 11.854 19.648 -22.800 0.00 0.00 ENZB ATOM 4399 OD1 ASP 98 11.312 20.569 -22.144 0.00 0.00 ENZB ATOM 4400 OD2 ASP 98 12.365 18.628 -22.220 0.00 0.00 ENZB ATOM 4401 C ASP 98 10.609 20.510 -26.334 0.00 0.00 ENZB ATOM 4402 O ASP 98 11.593 20.555 -27.095 0.00 0.00 ENZB ATOM 4403 N ASN 99 9.446 20.959 -26.772 0.00 0.00 ENZB ATOM 4404 HN ASN 99 8.605 21.041 -26.237 0.00 0.00 ENZB ATOM 4405 CA ASN 99 8.966 21.163 -28.146 0.00 0.00 ENZB ATOM 4406 HA ASN 99 7.931 21.475 -28.049 0.00 0.00 ENZB ATOM 4407 CB ASN 99 9.561 22.394 -28.809 0.00 0.00 ENZB ATOM 4408 HB1 ASN 99 10.661 22.273 -28.922 0.00 0.00 ENZB ATOM 4409 HB2 ASN 99 9.031 22.507 -29.776 0.00 0.00 ENZB ATOM 4410 CG ASN 99 9.350 23.632 -28.004 0.00 0.00 ENZB ATOM 4411 OD1 ASN 99 10.307 24.211 -27.436 0.00 0.00 ENZB ATOM 4412 ND2 ASN 99 8.084 24.050 -27.849 0.00 0.00 ENZB ATOM 4413 HD21 ASN 99 7.866 24.682 -27.111 0.00 0.00 ENZB ATOM 4414 HD22 ASN 99 7.326 23.515 -28.210 0.00 0.00 ENZB ATOM 4415 C ASN 99 8.936 19.988 -29.123 0.00 0.00 ENZB ATOM 4416 O ASN 99 8.099 19.941 -30.037 0.00 0.00 ENZB ATOM 4417 N VAL 100 9.838 18.987 -29.014 0.00 0.00 ENZB ATOM 4418 HN VAL 100 10.588 18.960 -28.357 0.00 0.00 ENZB ATOM 4419 CA VAL 100 9.799 17.915 -30.009 0.00 0.00 ENZB ATOM 4420 HA VAL 100 9.330 18.278 -30.916 0.00 0.00 ENZB ATOM 4421 CB VAL 100 11.275 17.593 -30.330 0.00 0.00 ENZB ATOM 4422 HB VAL 100 11.689 17.044 -29.447 0.00 0.00 ENZB ATOM 4423 CG1 VAL 100 11.509 16.677 -31.552 0.00 0.00 ENZB ATOM 4424 HG11 VAL 100 10.997 15.725 -31.294 0.00 0.00 ENZB ATOM 4425 HG12 VAL 100 10.971 17.060 -32.445 0.00 0.00 ENZB ATOM 4426 HG13 VAL 100 12.581 16.520 -31.799 0.00 0.00 ENZB ATOM 4427 CG2 VAL 100 12.147 18.898 -30.612 0.00 0.00 ENZB ATOM 4428 HG21 VAL 100 12.552 19.428 -29.724 0.00 0.00 ENZB ATOM 4429 HG22 VAL 100 13.069 18.815 -31.227 0.00 0.00 ENZB ATOM 4430 HG23 VAL 100 11.426 19.568 -31.126 0.00 0.00 ENZB ATOM 4431 C VAL 100 9.032 16.713 -29.595 0.00 0.00 ENZB ATOM 4432 O VAL 100 9.068 16.244 -28.476 0.00 0.00 ENZB ATOM 4433 N ASP 101 8.376 16.140 -30.615 0.00 0.00 ENZB ATOM 4434 HN ASP 101 8.276 16.606 -31.491 0.00 0.00 ENZB ATOM 4435 CA ASP 101 7.622 14.919 -30.732 0.00 0.00 ENZB ATOM 4436 HA ASP 101 6.925 14.722 -29.926 0.00 0.00 ENZB ATOM 4437 CB ASP 101 6.852 14.808 -32.122 0.00 0.00 ENZB ATOM 4438 HB1 ASP 101 7.569 14.722 -32.962 0.00 0.00 ENZB ATOM 4439 HB2 ASP 101 6.126 13.972 -32.073 0.00 0.00 ENZB ATOM 4440 CG ASP 101 6.060 15.990 -32.513 0.00 0.00 ENZB ATOM 4441 OD1 ASP 101 6.724 17.037 -32.807 0.00 0.00 ENZB ATOM 4442 OD2 ASP 101 4.783 15.999 -32.465 0.00 0.00 ENZB ATOM 4443 C ASP 101 8.709 13.772 -30.735 0.00 0.00 ENZB ATOM 4444 O ASP 101 9.361 13.479 -31.711 0.00 0.00 ENZB ATOM 4445 N TYR 102 8.998 13.169 -29.570 0.00 0.00 ENZB ATOM 4446 HN TYR 102 8.504 13.462 -28.754 0.00 0.00 ENZB ATOM 4447 CA TYR 102 10.082 12.179 -29.463 0.00 0.00 ENZB ATOM 4448 HA TYR 102 10.679 12.315 -30.358 0.00 0.00 ENZB ATOM 4449 CB TYR 102 10.799 12.450 -28.145 0.00 0.00 ENZB ATOM 4450 HB1 TYR 102 10.945 13.544 -28.010 0.00 0.00 ENZB ATOM 4451 HB2 TYR 102 10.243 11.995 -27.297 0.00 0.00 ENZB ATOM 4452 CG TYR 102 12.160 11.859 -28.272 0.00 0.00 ENZB ATOM 4453 CD1 TYR 102 12.438 10.613 -27.809 0.00 0.00 ENZB ATOM 4454 HD1 TYR 102 11.604 9.957 -27.598 0.00 0.00 ENZB ATOM 4455 CE1 TYR 102 13.706 10.079 -27.669 0.00 0.00 ENZB ATOM 4456 HE1 TYR 102 13.865 9.047 -27.394 0.00 0.00 ENZB ATOM 4457 CZ TYR 102 14.816 10.959 -27.945 0.00 0.00 ENZB ATOM 4458 OH TYR 102 16.115 10.441 -27.728 0.00 0.00 ENZB ATOM 4459 HH TYR 102 16.122 9.536 -28.047 0.00 0.00 ENZB ATOM 4460 CD2 TYR 102 13.251 12.657 -28.539 0.00 0.00 ENZB ATOM 4461 HD2 TYR 102 13.181 13.696 -28.827 0.00 0.00 ENZB ATOM 4462 CE2 TYR 102 14.583 12.240 -28.391 0.00 0.00 ENZB ATOM 4463 HE2 TYR 102 15.425 12.843 -28.694 0.00 0.00 ENZB ATOM 4464 C TYR 102 9.661 10.684 -29.577 0.00 0.00 ENZB ATOM 4465 O TYR 102 10.030 10.032 -30.548 0.00 0.00 ENZB ATOM 4466 N TYR 103 8.752 10.164 -28.733 0.00 0.00 ENZB ATOM 4467 HN TYR 103 8.463 10.636 -27.901 0.00 0.00 ENZB ATOM 4468 CA TYR 103 8.314 8.826 -28.899 0.00 0.00 ENZB ATOM 4469 HA TYR 103 8.871 8.257 -29.634 0.00 0.00 ENZB ATOM 4470 CB TYR 103 8.468 8.018 -27.571 0.00 0.00 ENZB ATOM 4471 HB1 TYR 103 7.755 8.410 -26.813 0.00 0.00 ENZB ATOM 4472 HB2 TYR 103 8.141 6.974 -27.775 0.00 0.00 ENZB ATOM 4473 CG TYR 103 9.846 7.874 -26.979 0.00 0.00 ENZB ATOM 4474 CD1 TYR 103 10.117 8.316 -25.671 0.00 0.00 ENZB ATOM 4475 HD1 TYR 103 9.276 8.729 -25.131 0.00 0.00 ENZB ATOM 4476 CE1 TYR 103 11.340 8.031 -25.096 0.00 0.00 ENZB ATOM 4477 HE1 TYR 103 11.483 8.185 -24.038 0.00 0.00 ENZB ATOM 4478 CZ TYR 103 12.414 7.428 -25.749 0.00 0.00 ENZB ATOM 4479 OH TYR 103 13.716 7.209 -25.123 0.00 0.00 ENZB ATOM 4480 HH TYR 103 13.621 7.529 -24.222 0.00 0.00 ENZB ATOM 4481 CD2 TYR 103 10.878 7.165 -27.715 0.00 0.00 ENZB ATOM 4482 HD2 TYR 103 10.637 6.815 -28.710 0.00 0.00 ENZB ATOM 4483 CE2 TYR 103 12.106 6.962 -27.060 0.00 0.00 ENZB ATOM 4484 HE2 TYR 103 12.851 6.460 -27.662 0.00 0.00 ENZB ATOM 4485 C TYR 103 6.791 8.816 -29.221 0.00 0.00 ENZB ATOM 4486 O TYR 103 6.094 9.821 -29.167 0.00 0.00 ENZB ATOM 4487 N VAL 104 6.251 7.658 -29.643 0.00 0.00 ENZB ATOM 4488 HN VAL 104 6.825 6.910 -29.965 0.00 0.00 ENZB ATOM 4489 CA VAL 104 4.861 7.420 -29.857 0.00 0.00 ENZB ATOM 4490 HA VAL 104 4.296 8.207 -29.375 0.00 0.00 ENZB ATOM 4491 CB VAL 104 4.586 7.585 -31.281 0.00 0.00 ENZB ATOM 4492 HB VAL 104 5.323 7.015 -31.900 0.00 0.00 ENZB ATOM 4493 CG1 VAL 104 3.161 7.101 -31.639 0.00 0.00 ENZB ATOM 4494 HG11 VAL 104 3.115 7.092 -32.749 0.00 0.00 ENZB ATOM 4495 HG12 VAL 104 3.034 6.009 -31.486 0.00 0.00 ENZB ATOM 4496 HG13 VAL 104 2.281 7.724 -31.376 0.00 0.00 ENZB ATOM 4497 CG2 VAL 104 4.734 9.129 -31.664 0.00 0.00 ENZB ATOM 4498 HG21 VAL 104 4.122 9.301 -32.577 0.00 0.00 ENZB ATOM 4499 HG22 VAL 104 4.184 9.670 -30.865 0.00 0.00 ENZB ATOM 4500 HG23 VAL 104 5.804 9.393 -31.798 0.00 0.00 ENZB ATOM 4501 C VAL 104 4.477 6.169 -29.203 0.00 0.00 ENZB ATOM 4502 O VAL 104 4.835 5.109 -29.633 0.00 0.00 ENZB ATOM 4503 N TYR 105 3.642 6.292 -28.151 0.00 0.00 ENZB ATOM 4504 HN TYR 105 3.231 7.124 -27.785 0.00 0.00 ENZB ATOM 4505 CA TYR 105 3.409 5.296 -27.215 0.00 0.00 ENZB ATOM 4506 HA TYR 105 4.152 4.510 -27.163 0.00 0.00 ENZB ATOM 4507 CB TYR 105 3.139 5.845 -25.871 0.00 0.00 ENZB ATOM 4508 HB1 TYR 105 2.477 6.737 -25.936 0.00 0.00 ENZB ATOM 4509 HB2 TYR 105 2.634 5.313 -25.036 0.00 0.00 ENZB ATOM 4510 CG TYR 105 4.345 6.380 -25.207 0.00 0.00 ENZB ATOM 4511 CD1 TYR 105 4.301 7.733 -24.827 0.00 0.00 ENZB ATOM 4512 HD1 TYR 105 3.417 8.295 -25.095 0.00 0.00 ENZB ATOM 4513 CE1 TYR 105 5.387 8.398 -24.242 0.00 0.00 ENZB ATOM 4514 HE1 TYR 105 5.412 9.434 -23.939 0.00 0.00 ENZB ATOM 4515 CZ TYR 105 6.574 7.666 -24.024 0.00 0.00 ENZB ATOM 4516 OH TYR 105 7.651 8.267 -23.306 0.00 0.00 ENZB ATOM 4517 HH TYR 105 8.249 7.552 -23.081 0.00 0.00 ENZB ATOM 4518 CD2 TYR 105 5.511 5.645 -24.950 0.00 0.00 ENZB ATOM 4519 HD2 TYR 105 5.611 4.660 -25.385 0.00 0.00 ENZB ATOM 4520 CE2 TYR 105 6.646 6.305 -24.329 0.00 0.00 ENZB ATOM 4521 HE2 TYR 105 7.498 5.658 -24.178 0.00 0.00 ENZB ATOM 4522 C TYR 105 2.049 4.647 -27.599 0.00 0.00 ENZB ATOM 4523 O TYR 105 0.996 5.286 -27.483 0.00 0.00 ENZB ATOM 4524 N ASN 106 2.077 3.405 -27.972 0.00 0.00 ENZB ATOM 4525 HN ASN 106 2.996 3.034 -28.098 0.00 0.00 ENZB ATOM 4526 CA ASN 106 0.922 2.516 -28.225 0.00 0.00 ENZB ATOM 4527 HA ASN 106 0.064 3.141 -28.450 0.00 0.00 ENZB ATOM 4528 CB ASN 106 1.147 1.586 -29.454 0.00 0.00 ENZB ATOM 4529 HB1 ASN 106 1.921 0.866 -29.107 0.00 0.00 ENZB ATOM 4530 HB2 ASN 106 0.180 1.071 -29.627 0.00 0.00 ENZB ATOM 4531 CG ASN 106 1.597 2.259 -30.718 0.00 0.00 ENZB ATOM 4532 OD1 ASN 106 0.891 2.882 -31.499 0.00 0.00 ENZB ATOM 4533 ND2 ASN 106 2.943 2.244 -30.877 0.00 0.00 ENZB ATOM 4534 HD21 ASN 106 3.369 2.624 -31.693 0.00 0.00 ENZB ATOM 4535 HD22 ASN 106 3.643 1.913 -30.250 0.00 0.00 ENZB ATOM 4536 C ASN 106 0.687 1.728 -26.986 0.00 0.00 ENZB ATOM 4537 O ASN 106 1.511 1.007 -26.478 0.00 0.00 ENZB ATOM 4538 N CYS 107 -0.501 1.915 -26.328 0.00 0.00 ENZB ATOM 4539 HN CYS 107 -1.168 2.516 -26.761 0.00 0.00 ENZB ATOM 4540 CA CYS 107 -0.854 1.148 -25.187 0.00 0.00 ENZB ATOM 4541 HA CYS 107 -0.055 1.260 -24.459 0.00 0.00 ENZB ATOM 4542 CB CYS 107 -2.014 1.777 -24.332 0.00 0.00 ENZB ATOM 4543 HB1 CYS 107 -2.874 1.736 -25.038 0.00 0.00 ENZB ATOM 4544 HB2 CYS 107 -2.219 1.231 -23.386 0.00 0.00 ENZB ATOM 4545 SG CYS 107 -1.652 3.448 -23.887 0.00 0.00 ENZB ATOM 4546 HG1 CYS 107 -1.393 3.712 -25.170 0.00 0.00 ENZB ATOM 4547 C CYS 107 -1.103 -0.326 -25.352 0.00 0.00 ENZB ATOM 4548 O CYS 107 -2.111 -0.732 -25.960 0.00 0.00 ENZB ATOM 4549 N LEU 108 -0.280 -1.231 -24.745 0.00 0.00 ENZB ATOM 4550 HN LEU 108 0.568 -0.949 -24.299 0.00 0.00 ENZB ATOM 4551 CA LEU 108 -0.581 -2.619 -24.544 0.00 0.00 ENZB ATOM 4552 HA LEU 108 -1.181 -2.938 -25.388 0.00 0.00 ENZB ATOM 4553 CB LEU 108 0.671 -3.515 -24.432 0.00 0.00 ENZB ATOM 4554 HB1 LEU 108 1.438 -3.015 -23.797 0.00 0.00 ENZB ATOM 4555 HB2 LEU 108 0.411 -4.436 -23.866 0.00 0.00 ENZB ATOM 4556 CG LEU 108 1.257 -3.812 -25.870 0.00 0.00 ENZB ATOM 4557 HG LEU 108 1.514 -2.805 -26.275 0.00 0.00 ENZB ATOM 4558 CD1 LEU 108 2.478 -4.751 -25.779 0.00 0.00 ENZB ATOM 4559 HD11 LEU 108 3.317 -4.320 -25.192 0.00 0.00 ENZB ATOM 4560 HD12 LEU 108 2.143 -5.733 -25.386 0.00 0.00 ENZB ATOM 4561 HD13 LEU 108 2.829 -4.913 -26.821 0.00 0.00 ENZB ATOM 4562 CD2 LEU 108 0.327 -4.540 -26.896 0.00 0.00 ENZB ATOM 4563 HD21 LEU 108 -0.635 -4.052 -27.166 0.00 0.00 ENZB ATOM 4564 HD22 LEU 108 1.030 -4.690 -27.741 0.00 0.00 ENZB ATOM 4565 HD23 LEU 108 0.177 -5.562 -26.485 0.00 0.00 ENZB ATOM 4566 C LEU 108 -1.388 -2.854 -23.315 0.00 0.00 ENZB ATOM 4567 O LEU 108 -1.231 -2.207 -22.281 0.00 0.00 ENZB ATOM 4568 N VAL 109 -2.263 -3.861 -23.296 0.00 0.00 ENZB ATOM 4569 HN VAL 109 -2.495 -4.341 -24.140 0.00 0.00 ENZB ATOM 4570 CA VAL 109 -3.116 -4.237 -22.227 0.00 0.00 ENZB ATOM 4571 HA VAL 109 -3.594 -3.338 -21.859 0.00 0.00 ENZB ATOM 4572 CB VAL 109 -4.068 -5.317 -22.740 0.00 0.00 ENZB ATOM 4573 HB VAL 109 -4.834 -4.970 -23.478 0.00 0.00 ENZB ATOM 4574 CG1 VAL 109 -3.299 -6.534 -23.404 0.00 0.00 ENZB ATOM 4575 HG11 VAL 109 -4.035 -7.326 -23.663 0.00 0.00 ENZB ATOM 4576 HG12 VAL 109 -2.675 -6.210 -24.263 0.00 0.00 ENZB ATOM 4577 HG13 VAL 109 -2.483 -6.943 -22.771 0.00 0.00 ENZB ATOM 4578 CG2 VAL 109 -5.151 -5.848 -21.706 0.00 0.00 ENZB ATOM 4579 HG21 VAL 109 -5.713 -5.028 -21.208 0.00 0.00 ENZB ATOM 4580 HG22 VAL 109 -5.747 -6.700 -22.098 0.00 0.00 ENZB ATOM 4581 HG23 VAL 109 -4.646 -6.406 -20.891 0.00 0.00 ENZB ATOM 4582 C VAL 109 -2.358 -4.788 -20.965 0.00 0.00 ENZB ATOM 4583 O VAL 109 -1.556 -5.742 -20.984 0.00 0.00 ENZB ATOM 4584 N ARG 110 -2.704 -4.259 -19.778 0.00 0.00 ENZB ATOM 4585 HN ARG 110 -3.408 -3.556 -19.717 0.00 0.00 ENZB ATOM 4586 CA ARG 110 -2.110 -4.557 -18.477 0.00 0.00 ENZB ATOM 4587 HA ARG 110 -1.542 -5.463 -18.655 0.00 0.00 ENZB ATOM 4588 CB ARG 110 -1.164 -3.359 -17.989 0.00 0.00 ENZB ATOM 4589 HB1 ARG 110 -0.375 -3.737 -17.296 0.00 0.00 ENZB ATOM 4590 HB2 ARG 110 -0.735 -3.108 -18.984 0.00 0.00 ENZB ATOM 4591 CG ARG 110 -1.911 -1.996 -17.642 0.00 0.00 ENZB ATOM 4592 HG1 ARG 110 -2.496 -1.733 -18.550 0.00 0.00 ENZB ATOM 4593 HG2 ARG 110 -2.619 -2.117 -16.792 0.00 0.00 ENZB ATOM 4594 CD ARG 110 -0.923 -0.851 -17.394 0.00 0.00 ENZB ATOM 4595 HD1 ARG 110 -0.646 -0.851 -16.316 0.00 0.00 ENZB ATOM 4596 HD2 ARG 110 -0.118 -0.949 -18.159 0.00 0.00 ENZB ATOM 4597 NE ARG 110 -1.761 0.345 -17.628 0.00 0.00 ENZB ATOM 4598 HE ARG 110 -2.708 0.229 -17.307 0.00 0.00 ENZB ATOM 4599 CZ ARG 110 -1.505 1.389 -18.384 0.00 0.00 ENZB ATOM 4600 NH1 ARG 110 -2.412 2.299 -18.502 0.00 0.00 ENZB ATOM 4601 HH11 ARG 110 -2.165 3.102 -19.026 0.00 0.00 ENZB ATOM 4602 HH12 ARG 110 -3.142 2.214 -17.820 0.00 0.00 ENZB ATOM 4603 NH2 ARG 110 -0.415 1.518 -19.131 0.00 0.00 ENZB ATOM 4604 HH21 ARG 110 -0.590 2.339 -19.656 0.00 0.00 ENZB ATOM 4605 HH22 ARG 110 -0.095 0.672 -19.537 0.00 0.00 ENZB ATOM 4606 C ARG 110 -3.189 -4.857 -17.466 0.00 0.00 ENZB ATOM 4607 O ARG 110 -4.369 -4.794 -17.807 0.00 0.00 ENZB ATOM 4608 N THR 111 -2.860 -5.045 -16.200 0.00 0.00 ENZB ATOM 4609 HN THR 111 -1.896 -5.236 -16.024 0.00 0.00 ENZB ATOM 4610 CA THR 111 -3.883 -5.201 -15.116 0.00 0.00 ENZB ATOM 4611 HA THR 111 -4.679 -4.523 -15.395 0.00 0.00 ENZB ATOM 4612 CB THR 111 -4.473 -6.601 -15.049 0.00 0.00 ENZB ATOM 4613 HB THR 111 -4.665 -6.889 -16.111 0.00 0.00 ENZB ATOM 4614 OG1 THR 111 -5.639 -6.666 -14.274 0.00 0.00 ENZB ATOM 4615 HG1 THR 111 -6.170 -6.003 -14.728 0.00 0.00 ENZB ATOM 4616 CG2 THR 111 -3.355 -7.632 -14.604 0.00 0.00 ENZB ATOM 4617 HG21 THR 111 -2.421 -7.753 -15.194 0.00 0.00 ENZB ATOM 4618 HG22 THR 111 -3.086 -7.396 -13.553 0.00 0.00 ENZB ATOM 4619 HG23 THR 111 -3.883 -8.607 -14.555 0.00 0.00 ENZB ATOM 4620 C THR 111 -3.390 -4.640 -13.778 0.00 0.00 ENZB ATOM 4621 O THR 111 -2.183 -4.665 -13.440 0.00 0.00 ENZB ATOM 4622 N LYS 112 -4.314 -4.091 -12.983 0.00 0.00 ENZB ATOM 4623 HN LYS 112 -5.266 -4.160 -13.279 0.00 0.00 ENZB ATOM 4624 CA LYS 112 -4.095 -3.330 -11.788 0.00 0.00 ENZB ATOM 4625 HA LYS 112 -3.375 -2.534 -11.936 0.00 0.00 ENZB ATOM 4626 CB LYS 112 -5.320 -2.442 -11.483 0.00 0.00 ENZB ATOM 4627 HB1 LYS 112 -6.113 -3.146 -11.141 0.00 0.00 ENZB ATOM 4628 HB2 LYS 112 -5.151 -1.793 -10.594 0.00 0.00 ENZB ATOM 4629 CG LYS 112 -5.890 -1.680 -12.715 0.00 0.00 ENZB ATOM 4630 HG1 LYS 112 -5.117 -0.985 -13.113 0.00 0.00 ENZB ATOM 4631 HG2 LYS 112 -6.092 -2.398 -13.543 0.00 0.00 ENZB ATOM 4632 CD LYS 112 -7.144 -0.928 -12.282 0.00 0.00 ENZB ATOM 4633 HD1 LYS 112 -6.765 -0.361 -11.401 0.00 0.00 ENZB ATOM 4634 HD2 LYS 112 -7.258 -0.209 -13.126 0.00 0.00 ENZB ATOM 4635 CE LYS 112 -8.399 -1.638 -11.830 0.00 0.00 ENZB ATOM 4636 HE1 LYS 112 -8.821 -2.331 -12.591 0.00 0.00 ENZB ATOM 4637 HE2 LYS 112 -8.122 -2.269 -10.956 0.00 0.00 ENZB ATOM 4638 NZ LYS 112 -9.349 -0.608 -11.459 0.00 0.00 ENZB ATOM 4639 HZ1 LYS 112 -9.411 0.038 -12.272 0.00 0.00 ENZB ATOM 4640 HZ2 LYS 112 -10.258 -1.106 -11.378 0.00 0.00 ENZB ATOM 4641 HZ3 LYS 112 -9.242 -0.128 -10.542 0.00 0.00 ENZB ATOM 4642 C LYS 112 -3.704 -4.133 -10.650 0.00 0.00 ENZB ATOM 4643 O LYS 112 -3.271 -3.515 -9.627 0.00 0.00 ENZB ATOM 4644 N ARG 113 -3.837 -5.475 -10.680 0.00 0.00 ENZB ATOM 4645 HN ARG 113 -4.428 -5.825 -11.404 0.00 0.00 ENZB ATOM 4646 CA ARG 113 -3.458 -6.356 -9.597 0.00 0.00 ENZB ATOM 4647 HA ARG 113 -4.009 -6.068 -8.711 0.00 0.00 ENZB ATOM 4648 CB ARG 113 -3.847 -7.737 -10.022 0.00 0.00 ENZB ATOM 4649 HB1 ARG 113 -4.960 -7.760 -9.938 0.00 0.00 ENZB ATOM 4650 HB2 ARG 113 -3.619 -7.981 -11.083 0.00 0.00 ENZB ATOM 4651 CG ARG 113 -3.218 -8.793 -9.177 0.00 0.00 ENZB ATOM 4652 HG1 ARG 113 -2.113 -8.856 -9.278 0.00 0.00 ENZB ATOM 4653 HG2 ARG 113 -3.405 -8.518 -8.114 0.00 0.00 ENZB ATOM 4654 CD ARG 113 -3.798 -10.135 -9.500 0.00 0.00 ENZB ATOM 4655 HD1 ARG 113 -4.903 -10.225 -9.389 0.00 0.00 ENZB ATOM 4656 HD2 ARG 113 -3.579 -10.443 -10.548 0.00 0.00 ENZB ATOM 4657 NE ARG 113 -3.189 -11.173 -8.589 0.00 0.00 ENZB ATOM 4658 HE ARG 113 -3.715 -11.717 -7.924 0.00 0.00 ENZB ATOM 4659 CZ ARG 113 -2.029 -11.725 -8.804 0.00 0.00 ENZB ATOM 4660 NH1 ARG 113 -1.234 -11.381 -9.799 0.00 0.00 ENZB ATOM 4661 HH11 ARG 113 -0.300 -11.693 -9.694 0.00 0.00 ENZB ATOM 4662 HH12 ARG 113 -1.649 -11.038 -10.645 0.00 0.00 ENZB ATOM 4663 NH2 ARG 113 -1.613 -12.662 -7.938 0.00 0.00 ENZB ATOM 4664 HH21 ARG 113 -0.679 -12.969 -8.048 0.00 0.00 ENZB ATOM 4665 HH22 ARG 113 -2.111 -12.739 -7.084 0.00 0.00 ENZB ATOM 4666 C ARG 113 -1.974 -6.211 -9.402 0.00 0.00 ENZB ATOM 4667 O ARG 113 -1.492 -6.071 -8.248 0.00 0.00 ENZB ATOM 4668 N ALA 114 -1.164 -6.239 -10.463 0.00 0.00 ENZB ATOM 4669 HN ALA 114 -1.627 -6.330 -11.344 0.00 0.00 ENZB ATOM 4670 CA ALA 114 0.229 -5.780 -10.477 0.00 0.00 ENZB ATOM 4671 HA ALA 114 0.581 -5.675 -9.458 0.00 0.00 ENZB ATOM 4672 CB ALA 114 1.162 -6.976 -10.909 0.00 0.00 ENZB ATOM 4673 HB1 ALA 114 1.055 -7.220 -11.987 0.00 0.00 ENZB ATOM 4674 HB2 ALA 114 2.243 -6.780 -10.745 0.00 0.00 ENZB ATOM 4675 HB3 ALA 114 0.802 -7.932 -10.472 0.00 0.00 ENZB ATOM 4676 C ALA 114 0.485 -4.452 -11.282 0.00 0.00 ENZB ATOM 4677 O ALA 114 0.907 -4.452 -12.420 0.00 0.00 ENZB ATOM 4678 N PRO 115 0.246 -3.301 -10.676 0.00 0.00 ENZB ATOM 4679 CD PRO 115 -0.091 -3.022 -9.301 0.00 0.00 ENZB ATOM 4680 HD1 PRO 115 -1.034 -3.572 -9.081 0.00 0.00 ENZB ATOM 4681 HD2 PRO 115 0.664 -3.459 -8.608 0.00 0.00 ENZB ATOM 4682 CA PRO 115 0.291 -2.015 -11.384 0.00 0.00 ENZB ATOM 4683 HA PRO 115 -0.158 -2.161 -12.360 0.00 0.00 ENZB ATOM 4684 CB PRO 115 -0.437 -0.963 -10.542 0.00 0.00 ENZB ATOM 4685 HB1 PRO 115 -1.536 -0.882 -10.700 0.00 0.00 ENZB ATOM 4686 HB2 PRO 115 -0.010 0.059 -10.605 0.00 0.00 ENZB ATOM 4687 CG PRO 115 -0.275 -1.518 -9.109 0.00 0.00 ENZB ATOM 4688 HG1 PRO 115 -1.125 -1.285 -8.437 0.00 0.00 ENZB ATOM 4689 HG2 PRO 115 0.667 -1.004 -8.806 0.00 0.00 ENZB ATOM 4690 C PRO 115 1.784 -1.531 -11.747 0.00 0.00 ENZB ATOM 4691 O PRO 115 1.999 -0.528 -12.432 0.00 0.00 ENZB ATOM 4692 N SER 116 2.790 -2.361 -11.299 0.00 0.00 ENZB ATOM 4693 HN SER 116 2.565 -3.167 -10.753 0.00 0.00 ENZB ATOM 4694 CA SER 116 4.186 -2.136 -11.662 0.00 0.00 ENZB ATOM 4695 HA SER 116 4.304 -1.066 -11.781 0.00 0.00 ENZB ATOM 4696 CB SER 116 5.130 -2.714 -10.620 0.00 0.00 ENZB ATOM 4697 HB1 SER 116 6.220 -2.601 -10.815 0.00 0.00 ENZB ATOM 4698 HB2 SER 116 4.773 -2.197 -9.701 0.00 0.00 ENZB ATOM 4699 OG SER 116 4.793 -4.102 -10.415 0.00 0.00 ENZB ATOM 4700 HG1 SER 116 5.663 -4.518 -10.436 0.00 0.00 ENZB ATOM 4701 C SER 116 4.578 -2.671 -13.056 0.00 0.00 ENZB ATOM 4702 O SER 116 5.546 -2.138 -13.660 0.00 0.00 ENZB ATOM 4703 N LEU 117 3.734 -3.568 -13.568 0.00 0.00 ENZB ATOM 4704 HN LEU 117 2.963 -3.871 -13.013 0.00 0.00 ENZB ATOM 4705 CA LEU 117 3.937 -4.206 -14.866 0.00 0.00 ENZB ATOM 4706 HA LEU 117 4.964 -4.312 -15.186 0.00 0.00 ENZB ATOM 4707 CB LEU 117 3.405 -5.682 -14.754 0.00 0.00 ENZB ATOM 4708 HB1 LEU 117 3.760 -6.051 -13.762 0.00 0.00 ENZB ATOM 4709 HB2 LEU 117 2.295 -5.685 -14.697 0.00 0.00 ENZB ATOM 4710 CG LEU 117 3.862 -6.648 -15.846 0.00 0.00 ENZB ATOM 4711 HG LEU 117 3.509 -6.288 -16.842 0.00 0.00 ENZB ATOM 4712 CD1 LEU 117 5.309 -7.022 -15.726 0.00 0.00 ENZB ATOM 4713 HD11 LEU 117 5.586 -7.937 -16.293 0.00 0.00 ENZB ATOM 4714 HD12 LEU 117 5.968 -6.236 -16.148 0.00 0.00 ENZB ATOM 4715 HD13 LEU 117 5.613 -7.177 -14.669 0.00 0.00 ENZB ATOM 4716 CD2 LEU 117 3.174 -8.014 -15.636 0.00 0.00 ENZB ATOM 4717 HD21 LEU 117 2.067 -7.944 -15.727 0.00 0.00 ENZB ATOM 4718 HD22 LEU 117 3.651 -8.700 -16.366 0.00 0.00 ENZB ATOM 4719 HD23 LEU 117 3.347 -8.372 -14.597 0.00 0.00 ENZB ATOM 4720 C LEU 117 3.176 -3.396 -16.056 0.00 0.00 ENZB ATOM 4721 O LEU 117 1.929 -3.493 -16.193 0.00 0.00 ENZB ATOM 4722 N VAL 118 3.930 -2.539 -16.825 0.00 0.00 ENZB ATOM 4723 HN VAL 118 4.876 -2.437 -16.523 0.00 0.00 ENZB ATOM 4724 CA VAL 118 3.389 -1.548 -17.802 0.00 0.00 ENZB ATOM 4725 HA VAL 118 2.350 -1.787 -17.987 0.00 0.00 ENZB ATOM 4726 CB VAL 118 3.798 -0.110 -17.332 0.00 0.00 ENZB ATOM 4727 HB VAL 118 4.914 -0.033 -17.313 0.00 0.00 ENZB ATOM 4728 CG1 VAL 118 3.179 0.899 -18.292 0.00 0.00 ENZB ATOM 4729 HG11 VAL 118 2.080 0.735 -18.256 0.00 0.00 ENZB ATOM 4730 HG12 VAL 118 3.469 1.908 -17.934 0.00 0.00 ENZB ATOM 4731 HG13 VAL 118 3.675 0.646 -19.252 0.00 0.00 ENZB ATOM 4732 CG2 VAL 118 3.238 0.081 -15.875 0.00 0.00 ENZB ATOM 4733 HG21 VAL 118 3.382 1.146 -15.596 0.00 0.00 ENZB ATOM 4734 HG22 VAL 118 2.154 -0.166 -15.873 0.00 0.00 ENZB ATOM 4735 HG23 VAL 118 3.762 -0.533 -15.115 0.00 0.00 ENZB ATOM 4736 C VAL 118 4.052 -1.796 -19.186 0.00 0.00 ENZB ATOM 4737 O VAL 118 5.184 -1.388 -19.355 0.00 0.00 ENZB ATOM 4738 N PRO 119 3.417 -2.415 -20.183 0.00 0.00 ENZB ATOM 4739 CD PRO 119 2.407 -3.473 -19.880 0.00 0.00 ENZB ATOM 4740 HD1 PRO 119 2.546 -3.912 -18.867 0.00 0.00 ENZB ATOM 4741 HD2 PRO 119 1.433 -2.941 -19.986 0.00 0.00 ENZB ATOM 4742 CA PRO 119 4.094 -2.615 -21.448 0.00 0.00 ENZB ATOM 4743 HA PRO 119 5.142 -2.338 -21.459 0.00 0.00 ENZB ATOM 4744 CB PRO 119 3.834 -4.160 -21.627 0.00 0.00 ENZB ATOM 4745 HB1 PRO 119 4.605 -4.648 -20.990 0.00 0.00 ENZB ATOM 4746 HB2 PRO 119 3.874 -4.473 -22.692 0.00 0.00 ENZB ATOM 4747 CG PRO 119 2.502 -4.485 -20.977 0.00 0.00 ENZB ATOM 4748 HG1 PRO 119 2.437 -5.493 -20.524 0.00 0.00 ENZB ATOM 4749 HG2 PRO 119 1.597 -4.413 -21.623 0.00 0.00 ENZB ATOM 4750 C PRO 119 3.446 -1.762 -22.458 0.00 0.00 ENZB ATOM 4751 O PRO 119 2.260 -1.356 -22.297 0.00 0.00 ENZB ATOM 4752 N LEU 120 4.233 -1.425 -23.534 0.00 0.00 ENZB ATOM 4753 HN LEU 120 5.198 -1.679 -23.521 0.00 0.00 ENZB ATOM 4754 CA LEU 120 3.863 -0.572 -24.632 0.00 0.00 ENZB ATOM 4755 HA LEU 120 2.826 -0.752 -24.885 0.00 0.00 ENZB ATOM 4756 CB LEU 120 4.034 1.001 -24.430 0.00 0.00 ENZB ATOM 4757 HB1 LEU 120 5.098 1.067 -24.110 0.00 0.00 ENZB ATOM 4758 HB2 LEU 120 4.076 1.516 -25.415 0.00 0.00 ENZB ATOM 4759 CG LEU 120 3.011 1.663 -23.450 0.00 0.00 ENZB ATOM 4760 HG LEU 120 2.116 1.000 -23.377 0.00 0.00 ENZB ATOM 4761 CD1 LEU 120 3.606 1.884 -22.032 0.00 0.00 ENZB ATOM 4762 HD11 LEU 120 4.250 2.785 -22.125 0.00 0.00 ENZB ATOM 4763 HD12 LEU 120 2.844 1.922 -21.225 0.00 0.00 ENZB ATOM 4764 HD13 LEU 120 4.246 1.010 -21.790 0.00 0.00 ENZB ATOM 4765 CD2 LEU 120 2.636 3.049 -24.025 0.00 0.00 ENZB ATOM 4766 HD21 LEU 120 2.187 2.881 -25.027 0.00 0.00 ENZB ATOM 4767 HD22 LEU 120 1.936 3.620 -23.383 0.00 0.00 ENZB ATOM 4768 HD23 LEU 120 3.688 3.406 -24.032 0.00 0.00 ENZB ATOM 4769 C LEU 120 4.632 -0.977 -25.837 0.00 0.00 ENZB ATOM 4770 O LEU 120 5.804 -1.395 -25.715 0.00 0.00 ENZB ATOM 4771 N VAL 121 4.017 -0.773 -27.037 0.00 0.00 ENZB ATOM 4772 HN VAL 121 3.069 -0.469 -27.086 0.00 0.00 ENZB ATOM 4773 CA VAL 121 4.713 -0.866 -28.307 0.00 0.00 ENZB ATOM 4774 HA VAL 121 5.618 -1.459 -28.305 0.00 0.00 ENZB ATOM 4775 CB VAL 121 3.761 -1.346 -29.401 0.00 0.00 ENZB ATOM 4776 HB VAL 121 2.738 -0.905 -29.309 0.00 0.00 ENZB ATOM 4777 CG1 VAL 121 4.273 -1.148 -30.816 0.00 0.00 ENZB ATOM 4778 HG11 VAL 121 3.538 -1.485 -31.577 0.00 0.00 ENZB ATOM 4779 HG12 VAL 121 4.612 -0.100 -30.962 0.00 0.00 ENZB ATOM 4780 HG13 VAL 121 5.054 -1.918 -31.005 0.00 0.00 ENZB ATOM 4781 CG2 VAL 121 3.356 -2.802 -29.281 0.00 0.00 ENZB ATOM 4782 HG21 VAL 121 2.859 -3.084 -30.235 0.00 0.00 ENZB ATOM 4783 HG22 VAL 121 4.283 -3.398 -29.137 0.00 0.00 ENZB ATOM 4784 HG23 VAL 121 2.692 -3.036 -28.423 0.00 0.00 ENZB ATOM 4785 C VAL 121 5.055 0.504 -28.607 0.00 0.00 ENZB ATOM 4786 O VAL 121 4.220 1.435 -28.554 0.00 0.00 ENZB ATOM 4787 N VAL 122 6.361 0.803 -28.861 0.00 0.00 ENZB ATOM 4788 HN VAL 122 7.037 0.076 -28.957 0.00 0.00 ENZB ATOM 4789 CA VAL 122 6.830 2.121 -28.743 0.00 0.00 ENZB ATOM 4790 HA VAL 122 6.058 2.845 -28.512 0.00 0.00 ENZB ATOM 4791 CB VAL 122 7.890 2.410 -27.738 0.00 0.00 ENZB ATOM 4792 HB VAL 122 8.879 1.952 -27.991 0.00 0.00 ENZB ATOM 4793 CG1 VAL 122 8.056 3.911 -27.668 0.00 0.00 ENZB ATOM 4794 HG11 VAL 122 8.511 4.184 -26.692 0.00 0.00 ENZB ATOM 4795 HG12 VAL 122 8.671 4.243 -28.531 0.00 0.00 ENZB ATOM 4796 HG13 VAL 122 7.025 4.323 -27.622 0.00 0.00 ENZB ATOM 4797 CG2 VAL 122 7.486 1.810 -26.419 0.00 0.00 ENZB ATOM 4798 HG21 VAL 122 6.474 2.243 -26.267 0.00 0.00 ENZB ATOM 4799 HG22 VAL 122 7.419 0.711 -26.567 0.00 0.00 ENZB ATOM 4800 HG23 VAL 122 8.183 2.157 -25.628 0.00 0.00 ENZB ATOM 4801 C VAL 122 7.348 2.500 -30.145 0.00 0.00 ENZB ATOM 4802 O VAL 122 8.394 2.027 -30.551 0.00 0.00 ENZB ATOM 4803 N ASP 123 6.699 3.323 -30.925 0.00 0.00 ENZB ATOM 4804 HN ASP 123 5.826 3.655 -30.580 0.00 0.00 ENZB ATOM 4805 CA ASP 123 7.350 3.945 -32.064 0.00 0.00 ENZB ATOM 4806 HA ASP 123 7.913 3.200 -32.613 0.00 0.00 ENZB ATOM 4807 CB ASP 123 6.301 4.345 -33.118 0.00 0.00 ENZB ATOM 4808 HB1 ASP 123 5.708 5.221 -32.786 0.00 0.00 ENZB ATOM 4809 HB2 ASP 123 6.839 4.687 -34.024 0.00 0.00 ENZB ATOM 4810 CG ASP 123 5.471 3.165 -33.469 0.00 0.00 ENZB ATOM 4811 OD1 ASP 123 6.041 2.294 -34.170 0.00 0.00 ENZB ATOM 4812 OD2 ASP 123 4.268 3.101 -33.108 0.00 0.00 ENZB ATOM 4813 C ASP 123 8.272 5.090 -31.780 0.00 0.00 ENZB ATOM 4814 O ASP 123 7.912 6.042 -31.060 0.00 0.00 ENZB ATOM 4815 N VAL 124 9.514 4.957 -32.319 0.00 0.00 ENZB ATOM 4816 HN VAL 124 9.734 4.183 -32.906 0.00 0.00 ENZB ATOM 4817 CA VAL 124 10.591 5.921 -32.086 0.00 0.00 ENZB ATOM 4818 HA VAL 124 10.336 6.422 -31.161 0.00 0.00 ENZB ATOM 4819 CB VAL 124 11.893 5.284 -31.841 0.00 0.00 ENZB ATOM 4820 HB VAL 124 12.182 4.850 -32.829 0.00 0.00 ENZB ATOM 4821 CG1 VAL 124 12.955 6.282 -31.440 0.00 0.00 ENZB ATOM 4822 HG11 VAL 124 13.910 5.737 -31.272 0.00 0.00 ENZB ATOM 4823 HG12 VAL 124 13.088 7.035 -32.245 0.00 0.00 ENZB ATOM 4824 HG13 VAL 124 12.723 6.808 -30.491 0.00 0.00 ENZB ATOM 4825 CG2 VAL 124 11.837 4.103 -30.807 0.00 0.00 ENZB ATOM 4826 HG21 VAL 124 12.888 3.763 -30.699 0.00 0.00 ENZB ATOM 4827 HG22 VAL 124 11.382 4.373 -29.830 0.00 0.00 ENZB ATOM 4828 HG23 VAL 124 11.212 3.279 -31.206 0.00 0.00 ENZB ATOM 4829 C VAL 124 10.656 6.847 -33.246 0.00 0.00 ENZB ATOM 4830 O VAL 124 10.941 6.389 -34.366 0.00 0.00 ENZB ATOM 4831 N LEU 125 10.416 8.155 -33.053 0.00 0.00 ENZB ATOM 4832 HN LEU 125 10.248 8.521 -32.141 0.00 0.00 ENZB ATOM 4833 CA LEU 125 10.492 9.069 -34.115 0.00 0.00 ENZB ATOM 4834 HA LEU 125 10.121 8.662 -35.045 0.00 0.00 ENZB ATOM 4835 CB LEU 125 9.541 10.315 -33.815 0.00 0.00 ENZB ATOM 4836 HB1 LEU 125 9.931 10.834 -32.907 0.00 0.00 ENZB ATOM 4837 HB2 LEU 125 9.659 10.987 -34.694 0.00 0.00 ENZB ATOM 4838 CG LEU 125 8.062 9.886 -33.647 0.00 0.00 ENZB ATOM 4839 HG LEU 125 8.010 9.261 -32.723 0.00 0.00 ENZB ATOM 4840 CD1 LEU 125 7.239 11.183 -33.372 0.00 0.00 ENZB ATOM 4841 HD11 LEU 125 6.188 10.952 -33.095 0.00 0.00 ENZB ATOM 4842 HD12 LEU 125 7.612 11.631 -32.427 0.00 0.00 ENZB ATOM 4843 HD13 LEU 125 7.112 11.940 -34.176 0.00 0.00 ENZB ATOM 4844 CD2 LEU 125 7.502 9.116 -34.820 0.00 0.00 ENZB ATOM 4845 HD21 LEU 125 6.392 9.163 -34.804 0.00 0.00 ENZB ATOM 4846 HD22 LEU 125 7.842 9.509 -35.799 0.00 0.00 ENZB ATOM 4847 HD23 LEU 125 7.684 8.019 -34.804 0.00 0.00 ENZB ATOM 4848 C LEU 125 11.875 9.682 -34.396 0.00 0.00 ENZB ATOM 4849 O LEU 125 12.157 9.923 -35.540 0.00 0.00 ENZB ATOM 4850 N THR 126 12.688 9.888 -33.340 0.00 0.00 ENZB ATOM 4851 HN THR 126 12.399 9.733 -32.397 0.00 0.00 ENZB ATOM 4852 CA THR 126 14.098 10.404 -33.416 0.00 0.00 ENZB ATOM 4853 HA THR 126 14.094 11.352 -33.934 0.00 0.00 ENZB ATOM 4854 CB THR 126 14.620 10.834 -32.073 0.00 0.00 ENZB ATOM 4855 HB THR 126 14.931 9.948 -31.466 0.00 0.00 ENZB ATOM 4856 OG1 THR 126 13.653 11.569 -31.384 0.00 0.00 ENZB ATOM 4857 HG1 THR 126 14.012 11.801 -30.521 0.00 0.00 ENZB ATOM 4858 CG2 THR 126 15.842 11.765 -32.233 0.00 0.00 ENZB ATOM 4859 HG21 THR 126 16.116 12.154 -31.229 0.00 0.00 ENZB ATOM 4860 HG22 THR 126 16.719 11.191 -32.599 0.00 0.00 ENZB ATOM 4861 HG23 THR 126 15.689 12.594 -32.958 0.00 0.00 ENZB ATOM 4862 C THR 126 14.994 9.429 -34.108 0.00 0.00 ENZB ATOM 4863 O THR 126 15.374 8.398 -33.579 0.00 0.00 ENZB ATOM 4864 N ASP 127 15.481 9.846 -35.313 0.00 0.00 ENZB ATOM 4865 HN ASP 127 15.093 10.669 -35.719 0.00 0.00 ENZB ATOM 4866 CA ASP 127 16.514 9.145 -36.130 0.00 0.00 ENZB ATOM 4867 HA ASP 127 16.719 8.142 -35.773 0.00 0.00 ENZB ATOM 4868 CB ASP 127 16.023 9.131 -37.585 0.00 0.00 ENZB ATOM 4869 HB1 ASP 127 16.731 8.527 -38.188 0.00 0.00 ENZB ATOM 4870 HB2 ASP 127 15.051 8.597 -37.584 0.00 0.00 ENZB ATOM 4871 CG ASP 127 15.790 10.511 -38.180 0.00 0.00 ENZB ATOM 4872 OD1 ASP 127 16.528 10.892 -39.092 0.00 0.00 ENZB ATOM 4873 OD2 ASP 127 14.983 11.375 -37.730 0.00 0.00 ENZB ATOM 4874 C ASP 127 17.804 9.892 -36.074 0.00 0.00 ENZB ATOM 4875 O ASP 127 18.876 9.348 -36.411 0.00 0.00 ENZB ATOM 4876 N ASN 128 17.769 11.184 -35.617 0.00 0.00 ENZB ATOM 4877 HN ASN 128 16.855 11.577 -35.522 0.00 0.00 ENZB ATOM 4878 CA ASN 128 18.956 11.904 -35.397 0.00 0.00 ENZB ATOM 4879 HA ASN 128 19.702 11.576 -36.113 0.00 0.00 ENZB ATOM 4880 CB ASN 128 18.626 13.420 -35.571 0.00 0.00 ENZB ATOM 4881 HB1 ASN 128 18.314 13.661 -36.612 0.00 0.00 ENZB ATOM 4882 HB2 ASN 128 17.810 13.642 -34.853 0.00 0.00 ENZB ATOM 4883 CG ASN 128 19.882 14.302 -35.557 0.00 0.00 ENZB ATOM 4884 OD1 ASN 128 21.001 13.897 -35.787 0.00 0.00 ENZB ATOM 4885 ND2 ASN 128 19.671 15.560 -35.226 0.00 0.00 ENZB ATOM 4886 HD21 ASN 128 20.433 16.169 -35.023 0.00 0.00 ENZB ATOM 4887 HD22 ASN 128 18.747 15.743 -34.904 0.00 0.00 ENZB ATOM 4888 C ASN 128 19.575 11.642 -33.971 0.00 0.00 ENZB ATOM 4889 O ASN 128 19.041 12.152 -33.020 0.00 0.00 ENZB ATOM 4890 N PRO 129 20.763 10.939 -33.802 0.00 0.00 ENZB ATOM 4891 CD PRO 129 21.478 10.196 -34.851 0.00 0.00 ENZB ATOM 4892 HD1 PRO 129 21.006 9.199 -35.000 0.00 0.00 ENZB ATOM 4893 HD2 PRO 129 21.555 10.882 -35.727 0.00 0.00 ENZB ATOM 4894 CA PRO 129 21.325 10.826 -32.461 0.00 0.00 ENZB ATOM 4895 HA PRO 129 20.571 10.572 -31.726 0.00 0.00 ENZB ATOM 4896 CB PRO 129 22.509 9.770 -32.688 0.00 0.00 ENZB ATOM 4897 HB1 PRO 129 21.996 8.804 -32.482 0.00 0.00 ENZB ATOM 4898 HB2 PRO 129 23.437 9.947 -32.108 0.00 0.00 ENZB ATOM 4899 CG PRO 129 22.823 9.944 -34.153 0.00 0.00 ENZB ATOM 4900 HG1 PRO 129 23.415 9.151 -34.651 0.00 0.00 ENZB ATOM 4901 HG2 PRO 129 23.484 10.831 -34.290 0.00 0.00 ENZB ATOM 4902 C PRO 129 21.956 12.007 -31.878 0.00 0.00 ENZB ATOM 4903 O PRO 129 22.035 12.110 -30.702 0.00 0.00 ENZB ATOM 4904 N ASP 130 22.477 12.942 -32.697 0.00 0.00 ENZB ATOM 4905 HN ASP 130 22.536 12.736 -33.670 0.00 0.00 ENZB ATOM 4906 CA ASP 130 22.928 14.263 -32.332 0.00 0.00 ENZB ATOM 4907 HA ASP 130 23.805 14.216 -31.696 0.00 0.00 ENZB ATOM 4908 CB ASP 130 23.369 15.003 -33.635 0.00 0.00 ENZB ATOM 4909 HB1 ASP 130 22.522 15.206 -34.321 0.00 0.00 ENZB ATOM 4910 HB2 ASP 130 23.837 15.957 -33.321 0.00 0.00 ENZB ATOM 4911 CG ASP 130 24.487 14.257 -34.262 0.00 0.00 ENZB ATOM 4912 OD1 ASP 130 24.351 13.445 -35.231 0.00 0.00 ENZB ATOM 4913 OD2 ASP 130 25.632 14.391 -33.725 0.00 0.00 ENZB ATOM 4914 C ASP 130 21.883 15.068 -31.411 0.00 0.00 ENZB ATOM 4915 O ASP 130 22.266 15.671 -30.400 0.00 0.00 ENZB ATOM 4916 N ASP 131 20.523 14.987 -31.717 0.00 0.00 ENZB ATOM 4917 HN ASP 131 20.345 14.619 -32.626 0.00 0.00 ENZB ATOM 4918 CA ASP 131 19.542 15.592 -30.758 0.00 0.00 ENZB ATOM 4919 HA ASP 131 20.130 16.213 -30.093 0.00 0.00 ENZB ATOM 4920 CB ASP 131 18.694 16.649 -31.555 0.00 0.00 ENZB ATOM 4921 HB1 ASP 131 18.186 16.054 -32.340 0.00 0.00 ENZB ATOM 4922 HB2 ASP 131 18.007 17.111 -30.821 0.00 0.00 ENZB ATOM 4923 CG ASP 131 19.517 17.839 -32.077 0.00 0.00 ENZB ATOM 4924 OD1 ASP 131 20.323 18.440 -31.344 0.00 0.00 ENZB ATOM 4925 OD2 ASP 131 19.469 18.068 -33.326 0.00 0.00 ENZB ATOM 4926 C ASP 131 18.619 14.702 -29.928 0.00 0.00 ENZB ATOM 4927 O ASP 131 17.390 14.763 -30.013 0.00 0.00 ENZB ATOM 4928 N ALA 132 19.294 13.899 -29.054 0.00 0.00 ENZB ATOM 4929 HN ALA 132 20.282 14.002 -28.942 0.00 0.00 ENZB ATOM 4930 CA ALA 132 18.591 13.024 -28.194 0.00 0.00 ENZB ATOM 4931 HA ALA 132 17.666 12.693 -28.651 0.00 0.00 ENZB ATOM 4932 CB ALA 132 19.414 11.739 -27.936 0.00 0.00 ENZB ATOM 4933 HB1 ALA 132 19.795 11.411 -28.928 0.00 0.00 ENZB ATOM 4934 HB2 ALA 132 20.213 11.859 -27.172 0.00 0.00 ENZB ATOM 4935 HB3 ALA 132 18.744 10.868 -27.767 0.00 0.00 ENZB ATOM 4936 C ALA 132 18.047 13.776 -26.968 0.00 0.00 ENZB ATOM 4937 O ALA 132 18.432 14.924 -26.729 0.00 0.00 ENZB ATOM 4938 N LYS 133 16.985 13.200 -26.293 0.00 0.00 ENZB ATOM 4939 HN LYS 133 16.581 12.350 -26.623 0.00 0.00 ENZB ATOM 4940 CA LYS 133 16.192 13.828 -25.162 0.00 0.00 ENZB ATOM 4941 HA LYS 133 16.904 14.361 -24.543 0.00 0.00 ENZB ATOM 4942 CB LYS 133 14.924 14.572 -25.575 0.00 0.00 ENZB ATOM 4943 HB1 LYS 133 14.338 14.005 -26.336 0.00 0.00 ENZB ATOM 4944 HB2 LYS 133 14.137 14.662 -24.793 0.00 0.00 ENZB ATOM 4945 CG LYS 133 15.221 15.983 -26.183 0.00 0.00 ENZB ATOM 4946 HG1 LYS 133 15.939 16.579 -25.573 0.00 0.00 ENZB ATOM 4947 HG2 LYS 133 15.740 15.969 -27.168 0.00 0.00 ENZB ATOM 4948 CD LYS 133 13.952 16.762 -26.446 0.00 0.00 ENZB ATOM 4949 HD1 LYS 133 13.341 16.050 -27.048 0.00 0.00 ENZB ATOM 4950 HD2 LYS 133 13.433 16.958 -25.479 0.00 0.00 ENZB ATOM 4951 CE LYS 133 14.014 18.116 -27.262 0.00 0.00 ENZB ATOM 4952 HE1 LYS 133 13.029 18.250 -27.763 0.00 0.00 ENZB ATOM 4953 HE2 LYS 133 14.299 18.886 -26.512 0.00 0.00 ENZB ATOM 4954 NZ LYS 133 15.214 18.106 -28.233 0.00 0.00 ENZB ATOM 4955 HZ1 LYS 133 14.857 17.598 -29.065 0.00 0.00 ENZB ATOM 4956 HZ2 LYS 133 15.460 19.056 -28.581 0.00 0.00 ENZB ATOM 4957 HZ3 LYS 133 16.054 17.642 -27.829 0.00 0.00 ENZB ATOM 4958 C LYS 133 15.894 12.753 -24.079 0.00 0.00 ENZB ATOM 4959 O LYS 133 15.074 11.866 -24.176 0.00 0.00 ENZB ATOM 4960 N PHE 134 16.555 12.771 -22.903 0.00 0.00 ENZB ATOM 4961 HN PHE 134 17.230 13.502 -22.819 0.00 0.00 ENZB ATOM 4962 CA PHE 134 16.572 11.789 -21.892 0.00 0.00 ENZB ATOM 4963 HA PHE 134 16.522 10.813 -22.361 0.00 0.00 ENZB ATOM 4964 CB PHE 134 17.971 11.905 -21.143 0.00 0.00 ENZB ATOM 4965 HB1 PHE 134 18.221 12.957 -20.885 0.00 0.00 ENZB ATOM 4966 HB2 PHE 134 18.009 11.292 -20.216 0.00 0.00 ENZB ATOM 4967 CG PHE 134 19.161 11.316 -21.880 0.00 0.00 ENZB ATOM 4968 CD1 PHE 134 19.856 11.988 -22.906 0.00 0.00 ENZB ATOM 4969 HD1 PHE 134 19.495 12.960 -23.213 0.00 0.00 ENZB ATOM 4970 CE1 PHE 134 21.001 11.455 -23.468 0.00 0.00 ENZB ATOM 4971 HE1 PHE 134 21.627 12.000 -24.160 0.00 0.00 ENZB ATOM 4972 CZ PHE 134 21.494 10.258 -22.867 0.00 0.00 ENZB ATOM 4973 HZ PHE 134 22.314 9.786 -23.389 0.00 0.00 ENZB ATOM 4974 CD2 PHE 134 19.706 10.090 -21.354 0.00 0.00 ENZB ATOM 4975 HD2 PHE 134 19.166 9.513 -20.616 0.00 0.00 ENZB ATOM 4976 CE2 PHE 134 20.895 9.547 -21.849 0.00 0.00 ENZB ATOM 4977 HE2 PHE 134 21.380 8.735 -21.327 0.00 0.00 ENZB ATOM 4978 C PHE 134 15.356 11.839 -20.974 0.00 0.00 ENZB ATOM 4979 O PHE 134 14.529 12.762 -21.029 0.00 0.00 ENZB ATOM 4980 N ASN 135 15.263 10.952 -19.966 0.00 0.00 ENZB ATOM 4981 HN ASN 135 15.880 10.172 -20.061 0.00 0.00 ENZB ATOM 4982 CA ASN 135 14.428 11.044 -18.767 0.00 0.00 ENZB ATOM 4983 HA ASN 135 13.826 11.940 -18.870 0.00 0.00 ENZB ATOM 4984 CB ASN 135 13.470 9.834 -18.522 0.00 0.00 ENZB ATOM 4985 HB1 ASN 135 13.041 9.825 -17.498 0.00 0.00 ENZB ATOM 4986 HB2 ASN 135 12.603 9.890 -19.211 0.00 0.00 ENZB ATOM 4987 CG ASN 135 14.207 8.517 -18.713 0.00 0.00 ENZB ATOM 4988 OD1 ASN 135 15.334 8.286 -18.295 0.00 0.00 ENZB ATOM 4989 ND2 ASN 135 13.495 7.495 -19.278 0.00 0.00 ENZB ATOM 4990 HD21 ASN 135 14.038 6.663 -19.365 0.00 0.00 ENZB ATOM 4991 HD22 ASN 135 12.725 7.624 -19.893 0.00 0.00 ENZB ATOM 4992 C ASN 135 15.392 11.137 -17.581 0.00 0.00 ENZB ATOM 4993 O ASN 135 16.590 10.988 -17.897 0.00 0.00 ENZB ATOM 4994 N SER 136 14.937 11.310 -16.369 0.00 0.00 ENZB ATOM 4995 HN SER 136 13.939 11.290 -16.315 0.00 0.00 ENZB ATOM 4996 CA SER 136 15.765 11.390 -15.199 0.00 0.00 ENZB ATOM 4997 HA SER 136 16.756 11.655 -15.541 0.00 0.00 ENZB ATOM 4998 CB SER 136 15.181 12.351 -14.181 0.00 0.00 ENZB ATOM 4999 HB1 SER 136 14.166 11.982 -13.910 0.00 0.00 ENZB ATOM 5000 HB2 SER 136 15.745 12.392 -13.223 0.00 0.00 ENZB ATOM 5001 OG SER 136 15.054 13.662 -14.813 0.00 0.00 ENZB ATOM 5002 HG1 SER 136 14.727 14.228 -14.102 0.00 0.00 ENZB ATOM 5003 C SER 136 15.855 10.016 -14.607 0.00 0.00 ENZB ATOM 5004 O SER 136 15.981 9.873 -13.344 0.00 0.00 ENZB ATOM 5005 N GLY 137 15.694 8.897 -15.396 0.00 0.00 ENZB ATOM 5006 HN GLY 137 15.715 8.991 -16.392 0.00 0.00 ENZB ATOM 5007 CA GLY 137 15.556 7.571 -14.748 0.00 0.00 ENZB ATOM 5008 HA1 GLY 137 16.041 7.433 -13.791 0.00 0.00 ENZB ATOM 5009 HA2 GLY 137 15.744 6.793 -15.475 0.00 0.00 ENZB ATOM 5010 C GLY 137 14.097 7.435 -14.381 0.00 0.00 ENZB ATOM 5011 O GLY 137 13.400 8.452 -14.295 0.00 0.00 ENZB ATOM 5012 N ALA 139 11.223 4.650 -11.720 0.00 0.00 ENZB ATOM 5013 HN ALA 139 10.354 5.144 -11.696 0.00 0.00 ENZB ATOM 5014 CA ALA 139 11.250 3.586 -10.710 0.00 0.00 ENZB ATOM 5015 HA ALA 139 12.223 3.437 -10.257 0.00 0.00 ENZB ATOM 5016 CB ALA 139 10.245 3.873 -9.568 0.00 0.00 ENZB ATOM 5017 HB1 ALA 139 9.815 4.896 -9.595 0.00 0.00 ENZB ATOM 5018 HB2 ALA 139 9.397 3.158 -9.490 0.00 0.00 ENZB ATOM 5019 HB3 ALA 139 10.811 3.829 -8.613 0.00 0.00 ENZB ATOM 5020 C ALA 139 10.951 2.248 -11.306 0.00 0.00 ENZB ATOM 5021 O ALA 139 10.274 2.314 -12.359 0.00 0.00 ENZB ATOM 5022 N GLY 140 11.426 1.147 -10.726 0.00 0.00 ENZB ATOM 5023 HN GLY 140 11.992 1.200 -9.904 0.00 0.00 ENZB ATOM 5024 CA GLY 140 11.280 -0.155 -11.309 0.00 0.00 ENZB ATOM 5025 HA1 GLY 140 10.335 -0.229 -11.826 0.00 0.00 ENZB ATOM 5026 HA2 GLY 140 11.471 -0.771 -10.440 0.00 0.00 ENZB ATOM 5027 C GLY 140 12.326 -0.520 -12.353 0.00 0.00 ENZB ATOM 5028 O GLY 140 13.058 0.379 -12.674 0.00 0.00 ENZB ATOM 5029 N ASN 141 12.405 -1.733 -12.925 0.00 0.00 ENZB ATOM 5030 HN ASN 141 11.675 -2.393 -12.760 0.00 0.00 ENZB ATOM 5031 CA ASN 141 13.321 -2.083 -13.961 0.00 0.00 ENZB ATOM 5032 HA ASN 141 14.244 -1.514 -13.935 0.00 0.00 ENZB ATOM 5033 CB ASN 141 13.781 -3.520 -13.772 0.00 0.00 ENZB ATOM 5034 HB1 ASN 141 12.932 -4.198 -14.009 0.00 0.00 ENZB ATOM 5035 HB2 ASN 141 14.651 -3.855 -14.372 0.00 0.00 ENZB ATOM 5036 CG ASN 141 14.321 -3.745 -12.403 0.00 0.00 ENZB ATOM 5037 OD1 ASN 141 15.450 -3.394 -12.056 0.00 0.00 ENZB ATOM 5038 ND2 ASN 141 13.435 -4.307 -11.594 0.00 0.00 ENZB ATOM 5039 HD21 ASN 141 13.566 -4.130 -10.623 0.00 0.00 ENZB ATOM 5040 HD22 ASN 141 12.495 -4.494 -11.866 0.00 0.00 ENZB ATOM 5041 C ASN 141 12.570 -1.880 -15.347 0.00 0.00 ENZB ATOM 5042 O ASN 141 11.376 -1.596 -15.310 0.00 0.00 ENZB ATOM 5043 N PHE 143 12.544 -3.842 -19.534 0.00 0.00 ENZB ATOM 5044 HN PHE 143 11.549 -3.760 -19.535 0.00 0.00 ENZB ATOM 5045 CA PHE 143 13.096 -4.731 -20.471 0.00 0.00 ENZB ATOM 5046 HA PHE 143 14.174 -4.620 -20.522 0.00 0.00 ENZB ATOM 5047 CB PHE 143 12.688 -6.211 -20.190 0.00 0.00 ENZB ATOM 5048 HB1 PHE 143 12.364 -6.305 -19.129 0.00 0.00 ENZB ATOM 5049 HB2 PHE 143 11.933 -6.587 -20.914 0.00 0.00 ENZB ATOM 5050 CG PHE 143 13.753 -7.254 -20.422 0.00 0.00 ENZB ATOM 5051 CD1 PHE 143 14.131 -8.087 -19.301 0.00 0.00 ENZB ATOM 5052 HD1 PHE 143 13.532 -8.083 -18.402 0.00 0.00 ENZB ATOM 5053 CE1 PHE 143 15.140 -9.023 -19.539 0.00 0.00 ENZB ATOM 5054 HE1 PHE 143 15.328 -9.752 -18.766 0.00 0.00 ENZB ATOM 5055 CZ PHE 143 15.805 -9.174 -20.759 0.00 0.00 ENZB ATOM 5056 HZ PHE 143 16.525 -9.971 -20.873 0.00 0.00 ENZB ATOM 5057 CD2 PHE 143 14.374 -7.445 -21.685 0.00 0.00 ENZB ATOM 5058 HD2 PHE 143 14.087 -6.884 -22.564 0.00 0.00 ENZB ATOM 5059 CE2 PHE 143 15.413 -8.323 -21.827 0.00 0.00 ENZB ATOM 5060 HE2 PHE 143 15.942 -8.340 -22.769 0.00 0.00 ENZB ATOM 5061 C PHE 143 12.658 -4.371 -21.906 0.00 0.00 ENZB ATOM 5062 O PHE 143 11.505 -4.106 -22.193 0.00 0.00 ENZB ATOM 5063 N LEU 144 13.584 -4.264 -22.862 0.00 0.00 ENZB ATOM 5064 HN LEU 144 14.513 -4.568 -22.661 0.00 0.00 ENZB ATOM 5065 CA LEU 144 13.399 -3.847 -24.257 0.00 0.00 ENZB ATOM 5066 HA LEU 144 12.412 -3.425 -24.410 0.00 0.00 ENZB ATOM 5067 CB LEU 144 14.375 -2.740 -24.674 0.00 0.00 ENZB ATOM 5068 HB1 LEU 144 15.415 -3.066 -24.441 0.00 0.00 ENZB ATOM 5069 HB2 LEU 144 14.389 -2.497 -25.762 0.00 0.00 ENZB ATOM 5070 CG LEU 144 14.202 -1.327 -24.029 0.00 0.00 ENZB ATOM 5071 HG LEU 144 14.473 -0.520 -24.752 0.00 0.00 ENZB ATOM 5072 CD1 LEU 144 12.776 -0.898 -23.766 0.00 0.00 ENZB ATOM 5073 HD11 LEU 144 12.743 -0.009 -23.101 0.00 0.00 ENZB ATOM 5074 HD12 LEU 144 12.155 -0.716 -24.669 0.00 0.00 ENZB ATOM 5075 HD13 LEU 144 12.150 -1.621 -23.200 0.00 0.00 ENZB ATOM 5076 CD2 LEU 144 14.909 -1.291 -22.659 0.00 0.00 ENZB ATOM 5077 HD21 LEU 144 14.419 -2.073 -22.039 0.00 0.00 ENZB ATOM 5078 HD22 LEU 144 15.997 -1.445 -22.812 0.00 0.00 ENZB ATOM 5079 HD23 LEU 144 14.722 -0.383 -22.045 0.00 0.00 ENZB ATOM 5080 C LEU 144 13.607 -4.997 -25.242 0.00 0.00 ENZB ATOM 5081 O LEU 144 14.522 -5.787 -25.065 0.00 0.00 ENZB ATOM 5082 N PHE 145 12.871 -5.176 -26.329 0.00 0.00 ENZB ATOM 5083 HN PHE 145 12.134 -4.505 -26.373 0.00 0.00 ENZB ATOM 5084 CA PHE 145 13.085 -6.122 -27.474 0.00 0.00 ENZB ATOM 5085 HA PHE 145 14.077 -6.555 -27.449 0.00 0.00 ENZB ATOM 5086 CB PHE 145 11.998 -7.148 -27.686 0.00 0.00 ENZB ATOM 5087 HB1 PHE 145 11.001 -6.668 -27.574 0.00 0.00 ENZB ATOM 5088 HB2 PHE 145 12.062 -7.665 -28.668 0.00 0.00 ENZB ATOM 5089 CG PHE 145 12.159 -8.273 -26.720 0.00 0.00 ENZB ATOM 5090 CD1 PHE 145 12.992 -9.388 -27.077 0.00 0.00 ENZB ATOM 5091 HD1 PHE 145 13.331 -9.450 -28.102 0.00 0.00 ENZB ATOM 5092 CE1 PHE 145 13.296 -10.422 -26.157 0.00 0.00 ENZB ATOM 5093 HE1 PHE 145 13.879 -11.271 -26.486 0.00 0.00 ENZB ATOM 5094 CZ PHE 145 12.769 -10.265 -24.842 0.00 0.00 ENZB ATOM 5095 HZ PHE 145 13.006 -10.995 -24.081 0.00 0.00 ENZB ATOM 5096 CD2 PHE 145 11.682 -8.180 -25.379 0.00 0.00 ENZB ATOM 5097 HD2 PHE 145 11.044 -7.352 -25.100 0.00 0.00 ENZB ATOM 5098 CE2 PHE 145 11.938 -9.182 -24.475 0.00 0.00 ENZB ATOM 5099 HE2 PHE 145 11.637 -9.099 -23.439 0.00 0.00 ENZB ATOM 5100 C PHE 145 13.100 -5.201 -28.667 0.00 0.00 ENZB ATOM 5101 O PHE 145 12.136 -4.538 -28.924 0.00 0.00 ENZB ATOM 5102 N VAL 146 14.162 -5.163 -29.526 0.00 0.00 ENZB ATOM 5103 HN VAL 146 14.961 -5.735 -29.359 0.00 0.00 ENZB ATOM 5104 CA VAL 146 14.229 -4.352 -30.758 0.00 0.00 ENZB ATOM 5105 HA VAL 146 13.769 -3.400 -30.525 0.00 0.00 ENZB ATOM 5106 CB VAL 146 15.633 -4.138 -31.139 0.00 0.00 ENZB ATOM 5107 HB VAL 146 16.143 -5.056 -31.525 0.00 0.00 ENZB ATOM 5108 CG1 VAL 146 15.700 -2.994 -32.208 0.00 0.00 ENZB ATOM 5109 HG11 VAL 146 16.758 -2.930 -32.545 0.00 0.00 ENZB ATOM 5110 HG12 VAL 146 15.178 -3.220 -33.161 0.00 0.00 ENZB ATOM 5111 HG13 VAL 146 15.308 -2.041 -31.798 0.00 0.00 ENZB ATOM 5112 CG2 VAL 146 16.432 -3.542 -29.920 0.00 0.00 ENZB ATOM 5113 HG21 VAL 146 16.490 -4.332 -29.141 0.00 0.00 ENZB ATOM 5114 HG22 VAL 146 17.459 -3.226 -30.202 0.00 0.00 ENZB ATOM 5115 HG23 VAL 146 15.892 -2.701 -29.437 0.00 0.00 ENZB ATOM 5116 C VAL 146 13.422 -4.924 -31.911 0.00 0.00 ENZB ATOM 5117 O VAL 146 13.929 -5.860 -32.527 0.00 0.00 ENZB ATOM 5118 N LEU 147 12.242 -4.361 -32.280 0.00 0.00 ENZB ATOM 5119 HN LEU 147 11.825 -3.625 -31.752 0.00 0.00 ENZB ATOM 5120 CA LEU 147 11.314 -5.103 -33.148 0.00 0.00 ENZB ATOM 5121 HA LEU 147 11.441 -6.161 -32.961 0.00 0.00 ENZB ATOM 5122 CB LEU 147 9.783 -4.836 -32.807 0.00 0.00 ENZB ATOM 5123 HB1 LEU 147 9.794 -4.933 -31.697 0.00 0.00 ENZB ATOM 5124 HB2 LEU 147 9.569 -3.758 -32.979 0.00 0.00 ENZB ATOM 5125 CG LEU 147 8.841 -5.763 -33.556 0.00 0.00 ENZB ATOM 5126 HG LEU 147 9.230 -6.041 -34.565 0.00 0.00 ENZB ATOM 5127 CD1 LEU 147 8.603 -7.022 -32.660 0.00 0.00 ENZB ATOM 5128 HD11 LEU 147 8.251 -6.647 -31.674 0.00 0.00 ENZB ATOM 5129 HD12 LEU 147 7.863 -7.673 -33.173 0.00 0.00 ENZB ATOM 5130 HD13 LEU 147 9.515 -7.644 -32.547 0.00 0.00 ENZB ATOM 5131 CD2 LEU 147 7.415 -5.146 -33.821 0.00 0.00 ENZB ATOM 5132 HD21 LEU 147 7.509 -4.244 -34.463 0.00 0.00 ENZB ATOM 5133 HD22 LEU 147 6.711 -5.838 -34.325 0.00 0.00 ENZB ATOM 5134 HD23 LEU 147 6.823 -4.785 -32.951 0.00 0.00 ENZB ATOM 5135 C LEU 147 11.583 -4.786 -34.601 0.00 0.00 ENZB ATOM 5136 O LEU 147 11.663 -5.637 -35.496 0.00 0.00 ENZB ATOM 5137 N GLU 148 11.492 -3.465 -34.950 0.00 0.00 ENZB ATOM 5138 HN GLU 148 11.226 -2.939 -34.145 0.00 0.00 ENZB ATOM 5139 CA GLU 148 11.745 -2.962 -36.317 0.00 0.00 ENZB ATOM 5140 HA GLU 148 12.265 -3.756 -36.837 0.00 0.00 ENZB ATOM 5141 CB GLU 148 10.412 -2.673 -37.077 0.00 0.00 ENZB ATOM 5142 HB1 GLU 148 9.647 -2.556 -36.275 0.00 0.00 ENZB ATOM 5143 HB2 GLU 148 10.396 -1.670 -37.558 0.00 0.00 ENZB ATOM 5144 CG GLU 148 10.164 -3.737 -38.127 0.00 0.00 ENZB ATOM 5145 HG1 GLU 148 10.936 -3.658 -38.915 0.00 0.00 ENZB ATOM 5146 HG2 GLU 148 10.195 -4.760 -37.700 0.00 0.00 ENZB ATOM 5147 CD GLU 148 8.909 -3.674 -38.773 0.00 0.00 ENZB ATOM 5148 OE1 GLU 148 8.109 -2.749 -38.919 0.00 0.00 ENZB ATOM 5149 OE2 GLU 148 8.719 -4.874 -39.382 0.00 0.00 ENZB ATOM 5150 HE2 GLU 148 8.040 -4.834 -40.058 0.00 0.00 ENZB ATOM 5151 C GLU 148 12.631 -1.735 -36.326 0.00 0.00 ENZB ATOM 5152 O GLU 148 12.691 -0.982 -35.313 0.00 0.00 ENZB ATOM 5153 N GLY 149 13.421 -1.545 -37.364 0.00 0.00 ENZB ATOM 5154 HN GLY 149 13.340 -2.153 -38.153 0.00 0.00 ENZB ATOM 5155 CA GLY 149 14.531 -0.593 -37.357 0.00 0.00 ENZB ATOM 5156 HA1 GLY 149 14.152 0.379 -37.075 0.00 0.00 ENZB ATOM 5157 HA2 GLY 149 14.900 -0.627 -38.372 0.00 0.00 ENZB ATOM 5158 C GLY 149 15.702 -1.094 -36.478 0.00 0.00 ENZB ATOM 5159 O GLY 149 15.705 -2.079 -35.737 0.00 0.00 ENZB ATOM 5160 N GLU 150 16.801 -0.349 -36.502 0.00 0.00 ENZB ATOM 5161 HN GLU 150 16.803 0.473 -37.065 0.00 0.00 ENZB ATOM 5162 CA GLU 150 17.830 -0.506 -35.531 0.00 0.00 ENZB ATOM 5163 HA GLU 150 17.746 -1.443 -34.994 0.00 0.00 ENZB ATOM 5164 CB GLU 150 19.170 -0.449 -36.199 0.00 0.00 ENZB ATOM 5165 HB1 GLU 150 19.328 0.492 -36.776 0.00 0.00 ENZB ATOM 5166 HB2 GLU 150 20.028 -0.515 -35.493 0.00 0.00 ENZB ATOM 5167 CG GLU 150 19.489 -1.562 -37.346 0.00 0.00 ENZB ATOM 5168 HG1 GLU 150 20.562 -1.509 -37.603 0.00 0.00 ENZB ATOM 5169 HG2 GLU 150 19.279 -2.621 -37.093 0.00 0.00 ENZB ATOM 5170 CD GLU 150 18.840 -1.430 -38.718 0.00 0.00 ENZB ATOM 5171 OE1 GLU 150 18.559 -2.482 -39.365 0.00 0.00 ENZB ATOM 5172 OE2 GLU 150 18.766 -0.302 -39.252 0.00 0.00 ENZB ATOM 5173 C GLU 150 17.856 0.628 -34.483 0.00 0.00 ENZB ATOM 5174 O GLU 150 17.280 1.665 -34.761 0.00 0.00 ENZB ATOM 5175 N ILE 151 18.578 0.438 -33.385 0.00 0.00 ENZB ATOM 5176 HN ILE 151 19.074 -0.415 -33.239 0.00 0.00 ENZB ATOM 5177 CA ILE 151 18.537 1.244 -32.162 0.00 0.00 ENZB ATOM 5178 HA ILE 151 18.228 2.209 -32.542 0.00 0.00 ENZB ATOM 5179 CB ILE 151 17.495 0.703 -31.149 0.00 0.00 ENZB ATOM 5180 HB ILE 151 16.613 0.338 -31.732 0.00 0.00 ENZB ATOM 5181 CG2 ILE 151 18.033 -0.447 -30.401 0.00 0.00 ENZB ATOM 5182 HG21 ILE 151 18.818 -0.143 -29.679 0.00 0.00 ENZB ATOM 5183 HG22 ILE 151 17.221 -1.004 -29.885 0.00 0.00 ENZB ATOM 5184 HG23 ILE 151 18.604 -1.037 -31.149 0.00 0.00 ENZB ATOM 5185 CG1 ILE 151 17.024 1.800 -30.254 0.00 0.00 ENZB ATOM 5186 HG11 ILE 151 16.529 1.353 -29.363 0.00 0.00 ENZB ATOM 5187 HG12 ILE 151 17.838 2.450 -29.859 0.00 0.00 ENZB ATOM 5188 CD ILE 151 16.067 2.708 -31.042 0.00 0.00 ENZB ATOM 5189 HD1 ILE 151 15.753 3.699 -30.648 0.00 0.00 ENZB ATOM 5190 HD2 ILE 151 16.415 2.987 -32.059 0.00 0.00 ENZB ATOM 5191 HD3 ILE 151 15.084 2.192 -31.031 0.00 0.00 ENZB ATOM 5192 C ILE 151 19.912 1.586 -31.612 0.00 0.00 ENZB ATOM 5193 O ILE 151 20.754 0.769 -31.301 0.00 0.00 ENZB ATOM 5194 N HSE 152 20.160 2.866 -31.438 0.00 0.00 ENZB ATOM 5195 HN HSE 152 19.460 3.539 -31.669 0.00 0.00 ENZB ATOM 5196 CA HSE 152 21.266 3.418 -30.711 0.00 0.00 ENZB ATOM 5197 HA HSE 152 22.121 2.759 -30.621 0.00 0.00 ENZB ATOM 5198 CB HSE 152 21.890 4.698 -31.350 0.00 0.00 ENZB ATOM 5199 HB1 HSE 152 22.079 4.523 -32.432 0.00 0.00 ENZB ATOM 5200 HB2 HSE 152 21.153 5.525 -31.301 0.00 0.00 ENZB ATOM 5201 ND1 HSE 152 24.187 4.645 -31.191 0.00 0.00 ENZB ATOM 5202 CG HSE 152 23.050 5.246 -30.707 0.00 0.00 ENZB ATOM 5203 CE1 HSE 152 25.061 5.175 -30.404 0.00 0.00 ENZB ATOM 5204 HE1 HSE 152 26.113 4.889 -30.492 0.00 0.00 ENZB ATOM 5205 NE2 HSE 152 24.662 6.099 -29.495 0.00 0.00 ENZB ATOM 5206 HE2 HSE 152 25.153 6.670 -28.839 0.00 0.00 ENZB ATOM 5207 CD2 HSE 152 23.326 6.170 -29.706 0.00 0.00 ENZB ATOM 5208 HD2 HSE 152 22.645 6.609 -28.990 0.00 0.00 ENZB ATOM 5209 C HSE 152 20.729 3.812 -29.284 0.00 0.00 ENZB ATOM 5210 O HSE 152 19.904 4.715 -29.175 0.00 0.00 ENZB ATOM 5211 N MET 153 21.213 3.017 -28.210 0.00 0.00 ENZB ATOM 5212 HN MET 153 21.930 2.330 -28.311 0.00 0.00 ENZB ATOM 5213 CA MET 153 20.864 3.099 -26.781 0.00 0.00 ENZB ATOM 5214 HA MET 153 19.985 3.733 -26.758 0.00 0.00 ENZB ATOM 5215 CB MET 153 20.541 1.704 -26.210 0.00 0.00 ENZB ATOM 5216 HB1 MET 153 19.666 1.235 -26.718 0.00 0.00 ENZB ATOM 5217 HB2 MET 153 21.413 1.013 -26.202 0.00 0.00 ENZB ATOM 5218 CG MET 153 20.155 1.746 -24.691 0.00 0.00 ENZB ATOM 5219 HG1 MET 153 20.994 2.161 -24.094 0.00 0.00 ENZB ATOM 5220 HG2 MET 153 19.231 2.362 -24.675 0.00 0.00 ENZB ATOM 5221 SD MET 153 19.979 0.121 -23.834 0.00 0.00 ENZB ATOM 5222 CE MET 153 19.685 0.928 -22.193 0.00 0.00 ENZB ATOM 5223 HE1 MET 153 18.782 1.573 -22.245 0.00 0.00 ENZB ATOM 5224 HE2 MET 153 19.366 0.161 -21.452 0.00 0.00 ENZB ATOM 5225 HE3 MET 153 20.509 1.569 -21.812 0.00 0.00 ENZB ATOM 5226 C MET 153 21.900 3.826 -25.990 0.00 0.00 ENZB ATOM 5227 O MET 153 23.100 3.578 -26.070 0.00 0.00 ENZB ATOM 5228 N LYS 154 21.548 4.920 -25.313 0.00 0.00 ENZB ATOM 5229 HN LYS 154 20.713 5.459 -25.424 0.00 0.00 ENZB ATOM 5230 CA LYS 154 22.424 5.696 -24.384 0.00 0.00 ENZB ATOM 5231 HA LYS 154 23.424 5.361 -24.631 0.00 0.00 ENZB ATOM 5232 CB LYS 154 22.230 7.210 -24.774 0.00 0.00 ENZB ATOM 5233 HB1 LYS 154 21.187 7.562 -24.606 0.00 0.00 ENZB ATOM 5234 HB2 LYS 154 22.977 7.736 -24.137 0.00 0.00 ENZB ATOM 5235 CG LYS 154 22.522 7.496 -26.258 0.00 0.00 ENZB ATOM 5236 HG1 LYS 154 23.320 6.816 -26.629 0.00 0.00 ENZB ATOM 5237 HG2 LYS 154 21.606 7.287 -26.858 0.00 0.00 ENZB ATOM 5238 CD LYS 154 23.012 8.898 -26.508 0.00 0.00 ENZB ATOM 5239 HD1 LYS 154 22.670 9.635 -25.747 0.00 0.00 ENZB ATOM 5240 HD2 LYS 154 24.110 8.887 -26.320 0.00 0.00 ENZB ATOM 5241 CE LYS 154 22.809 9.514 -27.942 0.00 0.00 ENZB ATOM 5242 HE1 LYS 154 23.243 8.671 -28.524 0.00 0.00 ENZB ATOM 5243 HE2 LYS 154 21.709 9.557 -28.106 0.00 0.00 ENZB ATOM 5244 NZ LYS 154 23.542 10.753 -28.189 0.00 0.00 ENZB ATOM 5245 HZ1 LYS 154 23.509 11.066 -29.181 0.00 0.00 ENZB ATOM 5246 HZ2 LYS 154 23.034 11.442 -27.599 0.00 0.00 ENZB ATOM 5247 HZ3 LYS 154 24.546 10.588 -27.970 0.00 0.00 ENZB ATOM 5248 C LYS 154 21.899 5.499 -22.970 0.00 0.00 ENZB ATOM 5249 O LYS 154 20.680 5.409 -22.728 0.00 0.00 ENZB ATOM 5250 N TRP 155 22.730 5.411 -21.954 0.00 0.00 ENZB ATOM 5251 HN TRP 155 23.692 5.350 -22.211 0.00 0.00 ENZB ATOM 5252 CA TRP 155 22.287 5.175 -20.602 0.00 0.00 ENZB ATOM 5253 HA TRP 155 21.455 5.860 -20.482 0.00 0.00 ENZB ATOM 5254 CB TRP 155 21.984 3.667 -20.305 0.00 0.00 ENZB ATOM 5255 HB1 TRP 155 21.292 3.612 -19.435 0.00 0.00 ENZB ATOM 5256 HB2 TRP 155 21.344 3.293 -21.135 0.00 0.00 ENZB ATOM 5257 CG TRP 155 23.129 2.666 -20.031 0.00 0.00 ENZB ATOM 5258 CD1 TRP 155 23.737 2.288 -18.834 0.00 0.00 ENZB ATOM 5259 HD1 TRP 155 23.435 2.711 -17.885 0.00 0.00 ENZB ATOM 5260 NE1 TRP 155 24.599 1.226 -18.995 0.00 0.00 ENZB ATOM 5261 HE1 TRP 155 25.429 1.170 -18.484 0.00 0.00 ENZB ATOM 5262 CE2 TRP 155 24.578 0.947 -20.367 0.00 0.00 ENZB ATOM 5263 CD2 TRP 155 23.776 1.922 -20.977 0.00 0.00 ENZB ATOM 5264 CE3 TRP 155 23.612 1.924 -22.344 0.00 0.00 ENZB ATOM 5265 HE3 TRP 155 22.936 2.608 -22.835 0.00 0.00 ENZB ATOM 5266 CZ3 TRP 155 24.367 1.050 -23.178 0.00 0.00 ENZB ATOM 5267 HZ3 TRP 155 24.272 0.933 -24.249 0.00 0.00 ENZB ATOM 5268 CZ2 TRP 155 25.211 -0.048 -21.111 0.00 0.00 ENZB ATOM 5269 HZ2 TRP 155 25.914 -0.653 -20.560 0.00 0.00 ENZB ATOM 5270 CH2 TRP 155 25.116 0.055 -22.533 0.00 0.00 ENZB ATOM 5271 HH2 TRP 155 25.628 -0.717 -23.089 0.00 0.00 ENZB ATOM 5272 C TRP 155 23.295 5.668 -19.628 0.00 0.00 ENZB ATOM 5273 O TRP 155 24.442 5.780 -19.957 0.00 0.00 ENZB ATOM 5274 N GLY 156 22.963 5.859 -18.363 0.00 0.00 ENZB ATOM 5275 HN GLY 156 22.013 5.667 -18.118 0.00 0.00 ENZB ATOM 5276 CA GLY 156 23.817 6.261 -17.284 0.00 0.00 ENZB ATOM 5277 HA1 GLY 156 24.814 5.930 -17.536 0.00 0.00 ENZB ATOM 5278 HA2 GLY 156 23.419 5.727 -16.431 0.00 0.00 ENZB ATOM 5279 C GLY 156 23.821 7.700 -16.899 0.00 0.00 ENZB ATOM 5280 O GLY 156 23.716 8.012 -15.691 0.00 0.00 ENZB ATOM 5281 N ASP 157 23.866 8.598 -17.825 0.00 0.00 ENZB ATOM 5282 HN ASP 157 23.655 8.306 -18.753 0.00 0.00 ENZB ATOM 5283 CA ASP 157 23.762 10.042 -17.544 0.00 0.00 ENZB ATOM 5284 HA ASP 157 23.043 10.170 -16.743 0.00 0.00 ENZB ATOM 5285 CB ASP 157 25.164 10.556 -17.024 0.00 0.00 ENZB ATOM 5286 HB1 ASP 157 25.483 10.082 -16.075 0.00 0.00 ENZB ATOM 5287 HB2 ASP 157 26.003 10.320 -17.710 0.00 0.00 ENZB ATOM 5288 CG ASP 157 25.156 12.027 -16.724 0.00 0.00 ENZB ATOM 5289 OD1 ASP 157 24.259 12.485 -16.015 0.00 0.00 ENZB ATOM 5290 OD2 ASP 157 25.859 12.799 -17.434 0.00 0.00 ENZB ATOM 5291 C ASP 157 23.307 10.670 -18.832 0.00 0.00 ENZB ATOM 5292 O ASP 157 23.215 10.010 -19.864 0.00 0.00 ENZB ATOM 5293 N LYS 158 22.975 11.988 -18.775 0.00 0.00 ENZB ATOM 5294 HN LYS 158 22.903 12.531 -17.940 0.00 0.00 ENZB ATOM 5295 CA LYS 158 22.698 12.749 -19.974 0.00 0.00 ENZB ATOM 5296 HA LYS 158 22.071 12.203 -20.670 0.00 0.00 ENZB ATOM 5297 CB LYS 158 21.756 13.939 -19.557 0.00 0.00 ENZB ATOM 5298 HB1 LYS 158 20.784 13.540 -19.186 0.00 0.00 ENZB ATOM 5299 HB2 LYS 158 22.061 14.566 -18.689 0.00 0.00 ENZB ATOM 5300 CG LYS 158 21.390 14.832 -20.771 0.00 0.00 ENZB ATOM 5301 HG1 LYS 158 22.239 14.980 -21.474 0.00 0.00 ENZB ATOM 5302 HG2 LYS 158 20.528 14.458 -21.369 0.00 0.00 ENZB ATOM 5303 CD LYS 158 21.165 16.285 -20.285 0.00 0.00 ENZB ATOM 5304 HD1 LYS 158 22.117 16.708 -19.893 0.00 0.00 ENZB ATOM 5305 HD2 LYS 158 20.912 16.823 -21.227 0.00 0.00 ENZB ATOM 5306 CE LYS 158 20.095 16.565 -19.180 0.00 0.00 ENZB ATOM 5307 HE1 LYS 158 19.092 16.118 -19.356 0.00 0.00 ENZB ATOM 5308 HE2 LYS 158 20.378 16.132 -18.194 0.00 0.00 ENZB ATOM 5309 NZ LYS 158 20.008 18.029 -18.868 0.00 0.00 ENZB ATOM 5310 HZ1 LYS 158 21.001 18.276 -18.684 0.00 0.00 ENZB ATOM 5311 HZ2 LYS 158 19.631 18.551 -19.684 0.00 0.00 ENZB ATOM 5312 HZ3 LYS 158 19.351 18.213 -18.082 0.00 0.00 ENZB ATOM 5313 C LYS 158 24.018 13.129 -20.677 0.00 0.00 ENZB ATOM 5314 O LYS 158 24.213 13.094 -21.907 0.00 0.00 ENZB ATOM 5315 N GLU 159 24.996 13.641 -19.968 0.00 0.00 ENZB ATOM 5316 HN GLU 159 25.057 13.655 -18.974 0.00 0.00 ENZB ATOM 5317 CA GLU 159 26.170 14.346 -20.542 0.00 0.00 ENZB ATOM 5318 HA GLU 159 25.971 14.618 -21.571 0.00 0.00 ENZB ATOM 5319 CB GLU 159 26.559 15.605 -19.602 0.00 0.00 ENZB ATOM 5320 HB1 GLU 159 26.598 15.143 -18.588 0.00 0.00 ENZB ATOM 5321 HB2 GLU 159 27.578 15.976 -19.850 0.00 0.00 ENZB ATOM 5322 CG GLU 159 25.444 16.733 -19.711 0.00 0.00 ENZB ATOM 5323 HG1 GLU 159 25.563 17.208 -20.701 0.00 0.00 ENZB ATOM 5324 HG2 GLU 159 24.454 16.255 -19.576 0.00 0.00 ENZB ATOM 5325 CD GLU 159 25.675 17.767 -18.554 0.00 0.00 ENZB ATOM 5326 OE1 GLU 159 24.917 17.939 -17.608 0.00 0.00 ENZB ATOM 5327 OE2 GLU 159 26.796 18.543 -18.705 0.00 0.00 ENZB ATOM 5328 HE2 GLU 159 26.734 19.219 -18.028 0.00 0.00 ENZB ATOM 5329 C GLU 159 27.305 13.309 -20.644 0.00 0.00 ENZB ATOM 5330 O GLU 159 28.164 13.364 -21.554 0.00 0.00 ENZB ATOM 5331 N ASN 160 27.380 12.330 -19.711 0.00 0.00 ENZB ATOM 5332 HN ASN 160 26.753 12.365 -18.934 0.00 0.00 ENZB ATOM 5333 CA ASN 160 28.377 11.284 -19.791 0.00 0.00 ENZB ATOM 5334 HA ASN 160 29.138 11.517 -20.529 0.00 0.00 ENZB ATOM 5335 CB ASN 160 29.152 11.276 -18.451 0.00 0.00 ENZB ATOM 5336 HB1 ASN 160 29.417 12.350 -18.350 0.00 0.00 ENZB ATOM 5337 HB2 ASN 160 28.442 11.046 -17.630 0.00 0.00 ENZB ATOM 5338 CG ASN 160 30.394 10.346 -18.448 0.00 0.00 ENZB ATOM 5339 OD1 ASN 160 30.845 9.824 -19.504 0.00 0.00 ENZB ATOM 5340 ND2 ASN 160 30.754 9.860 -17.246 0.00 0.00 ENZB ATOM 5341 HD21 ASN 160 31.602 9.342 -17.181 0.00 0.00 ENZB ATOM 5342 HD22 ASN 160 30.339 10.211 -16.410 0.00 0.00 ENZB ATOM 5343 C ASN 160 27.721 9.904 -20.043 0.00 0.00 ENZB ATOM 5344 O ASN 160 27.834 9.073 -19.163 0.00 0.00 ENZB ATOM 5345 N PRO 161 26.841 9.521 -21.048 0.00 0.00 ENZB ATOM 5346 CD PRO 161 26.479 10.365 -22.214 0.00 0.00 ENZB ATOM 5347 HD1 PRO 161 25.839 11.184 -21.819 0.00 0.00 ENZB ATOM 5348 HD2 PRO 161 27.378 10.801 -22.709 0.00 0.00 ENZB ATOM 5349 CA PRO 161 26.255 8.218 -21.188 0.00 0.00 ENZB ATOM 5350 HA PRO 161 25.874 7.874 -20.235 0.00 0.00 ENZB ATOM 5351 CB PRO 161 25.263 8.394 -22.328 0.00 0.00 ENZB ATOM 5352 HB1 PRO 161 24.263 8.557 -21.867 0.00 0.00 ENZB ATOM 5353 HB2 PRO 161 25.192 7.444 -22.897 0.00 0.00 ENZB ATOM 5354 CG PRO 161 25.638 9.535 -23.189 0.00 0.00 ENZB ATOM 5355 HG1 PRO 161 24.842 10.201 -23.573 0.00 0.00 ENZB ATOM 5356 HG2 PRO 161 26.267 9.198 -24.047 0.00 0.00 ENZB ATOM 5357 C PRO 161 27.292 7.170 -21.528 0.00 0.00 ENZB ATOM 5358 O PRO 161 28.401 7.384 -22.068 0.00 0.00 ENZB ATOM 5359 N LYS 162 26.848 5.871 -21.463 0.00 0.00 ENZB ATOM 5360 HN LYS 162 25.979 5.681 -21.009 0.00 0.00 ENZB ATOM 5361 CA LYS 162 27.549 4.660 -21.953 0.00 0.00 ENZB ATOM 5362 HA LYS 162 28.526 4.945 -22.328 0.00 0.00 ENZB ATOM 5363 CB LYS 162 27.567 3.491 -20.886 0.00 0.00 ENZB ATOM 5364 HB1 LYS 162 26.561 3.335 -20.430 0.00 0.00 ENZB ATOM 5365 HB2 LYS 162 27.842 2.601 -21.495 0.00 0.00 ENZB ATOM 5366 CG LYS 162 28.475 3.800 -19.689 0.00 0.00 ENZB ATOM 5367 HG1 LYS 162 28.274 4.856 -19.400 0.00 0.00 ENZB ATOM 5368 HG2 LYS 162 28.179 3.160 -18.826 0.00 0.00 ENZB ATOM 5369 CD LYS 162 29.955 3.789 -20.058 0.00 0.00 ENZB ATOM 5370 HD1 LYS 162 30.190 2.889 -20.670 0.00 0.00 ENZB ATOM 5371 HD2 LYS 162 30.261 4.630 -20.724 0.00 0.00 ENZB ATOM 5372 CE LYS 162 30.938 3.687 -18.807 0.00 0.00 ENZB ATOM 5373 HE1 LYS 162 30.599 2.770 -18.276 0.00 0.00 ENZB ATOM 5374 HE2 LYS 162 31.999 3.668 -19.138 0.00 0.00 ENZB ATOM 5375 NZ LYS 162 30.817 4.874 -17.907 0.00 0.00 ENZB ATOM 5376 HZ1 LYS 162 30.021 4.885 -17.237 0.00 0.00 ENZB ATOM 5377 HZ2 LYS 162 31.652 4.835 -17.290 0.00 0.00 ENZB ATOM 5378 HZ3 LYS 162 30.917 5.821 -18.324 0.00 0.00 ENZB ATOM 5379 C LYS 162 26.664 4.309 -23.183 0.00 0.00 ENZB ATOM 5380 O LYS 162 25.428 4.418 -23.089 0.00 0.00 ENZB ATOM 5381 N GLU 163 27.186 4.055 -24.379 0.00 0.00 ENZB ATOM 5382 HN GLU 163 28.159 4.227 -24.500 0.00 0.00 ENZB ATOM 5383 CA GLU 163 26.380 3.951 -25.537 0.00 0.00 ENZB ATOM 5384 HA GLU 163 25.345 4.015 -25.227 0.00 0.00 ENZB ATOM 5385 CB GLU 163 26.748 5.105 -26.483 0.00 0.00 ENZB ATOM 5386 HB1 GLU 163 27.841 5.000 -26.671 0.00 0.00 ENZB ATOM 5387 HB2 GLU 163 26.180 5.037 -27.438 0.00 0.00 ENZB ATOM 5388 CG GLU 163 26.423 6.586 -25.982 0.00 0.00 ENZB ATOM 5389 HG1 GLU 163 25.325 6.698 -25.931 0.00 0.00 ENZB ATOM 5390 HG2 GLU 163 26.825 6.691 -24.954 0.00 0.00 ENZB ATOM 5391 CD GLU 163 27.133 7.467 -27.037 0.00 0.00 ENZB ATOM 5392 OE1 GLU 163 26.519 7.851 -28.052 0.00 0.00 ENZB ATOM 5393 OE2 GLU 163 28.290 7.855 -26.730 0.00 0.00 ENZB ATOM 5394 C GLU 163 26.584 2.578 -26.229 0.00 0.00 ENZB ATOM 5395 O GLU 163 27.674 2.068 -26.446 0.00 0.00 ENZB ATOM 5396 N ALA 164 25.468 1.928 -26.635 0.00 0.00 ENZB ATOM 5397 HN ALA 164 24.622 2.458 -26.661 0.00 0.00 ENZB ATOM 5398 CA ALA 164 25.404 0.670 -27.376 0.00 0.00 ENZB ATOM 5399 HA ALA 164 26.402 0.315 -27.607 0.00 0.00 ENZB ATOM 5400 CB ALA 164 24.877 -0.423 -26.489 0.00 0.00 ENZB ATOM 5401 HB1 ALA 164 24.958 -1.384 -27.044 0.00 0.00 ENZB ATOM 5402 HB2 ALA 164 25.377 -0.444 -25.496 0.00 0.00 ENZB ATOM 5403 HB3 ALA 164 23.845 -0.163 -26.174 0.00 0.00 ENZB ATOM 5404 C ALA 164 24.477 0.642 -28.531 0.00 0.00 ENZB ATOM 5405 O ALA 164 23.244 0.995 -28.451 0.00 0.00 ENZB ATOM 5406 N LEU 165 25.050 0.380 -29.774 0.00 0.00 ENZB ATOM 5407 HN LEU 165 25.994 0.061 -29.836 0.00 0.00 ENZB ATOM 5408 CA LEU 165 24.409 0.210 -31.064 0.00 0.00 ENZB ATOM 5409 HA LEU 165 23.503 0.802 -31.079 0.00 0.00 ENZB ATOM 5410 CB LEU 165 25.326 0.770 -32.195 0.00 0.00 ENZB ATOM 5411 HB1 LEU 165 25.471 1.795 -31.784 0.00 0.00 ENZB ATOM 5412 HB2 LEU 165 26.301 0.231 -32.152 0.00 0.00 ENZB ATOM 5413 CG LEU 165 24.757 0.910 -33.600 0.00 0.00 ENZB ATOM 5414 HG LEU 165 25.566 1.499 -34.098 0.00 0.00 ENZB ATOM 5415 CD1 LEU 165 24.822 -0.426 -34.377 0.00 0.00 ENZB ATOM 5416 HD11 LEU 165 24.233 -1.281 -33.984 0.00 0.00 ENZB ATOM 5417 HD12 LEU 165 24.560 -0.273 -35.447 0.00 0.00 ENZB ATOM 5418 HD13 LEU 165 25.868 -0.801 -34.410 0.00 0.00 ENZB ATOM 5419 CD2 LEU 165 23.513 1.778 -33.793 0.00 0.00 ENZB ATOM 5420 HD21 LEU 165 23.823 2.769 -33.393 0.00 0.00 ENZB ATOM 5421 HD22 LEU 165 23.192 1.714 -34.851 0.00 0.00 ENZB ATOM 5422 HD23 LEU 165 22.684 1.298 -33.228 0.00 0.00 ENZB ATOM 5423 C LEU 165 24.030 -1.268 -31.266 0.00 0.00 ENZB ATOM 5424 O LEU 165 24.833 -2.172 -31.191 0.00 0.00 ENZB ATOM 5425 N LEU 166 22.715 -1.362 -31.497 0.00 0.00 ENZB ATOM 5426 HN LEU 166 22.085 -0.598 -31.369 0.00 0.00 ENZB ATOM 5427 CA LEU 166 22.030 -2.667 -31.448 0.00 0.00 ENZB ATOM 5428 HA LEU 166 22.763 -3.459 -31.366 0.00 0.00 ENZB ATOM 5429 CB LEU 166 21.152 -2.744 -30.180 0.00 0.00 ENZB ATOM 5430 HB1 LEU 166 20.357 -1.978 -30.336 0.00 0.00 ENZB ATOM 5431 HB2 LEU 166 20.630 -3.724 -30.103 0.00 0.00 ENZB ATOM 5432 CG LEU 166 21.938 -2.482 -28.813 0.00 0.00 ENZB ATOM 5433 HG LEU 166 22.503 -1.536 -28.987 0.00 0.00 ENZB ATOM 5434 CD1 LEU 166 20.907 -2.221 -27.635 0.00 0.00 ENZB ATOM 5435 HD11 LEU 166 20.245 -3.111 -27.684 0.00 0.00 ENZB ATOM 5436 HD12 LEU 166 21.430 -2.010 -26.679 0.00 0.00 ENZB ATOM 5437 HD13 LEU 166 20.234 -1.411 -27.990 0.00 0.00 ENZB ATOM 5438 CD2 LEU 166 23.043 -3.503 -28.458 0.00 0.00 ENZB ATOM 5439 HD21 LEU 166 22.640 -4.495 -28.161 0.00 0.00 ENZB ATOM 5440 HD22 LEU 166 23.709 -3.709 -29.321 0.00 0.00 ENZB ATOM 5441 HD23 LEU 166 23.682 -3.085 -27.650 0.00 0.00 ENZB ATOM 5442 C LEU 166 21.225 -2.908 -32.641 0.00 0.00 ENZB ATOM 5443 O LEU 166 20.519 -2.004 -33.086 0.00 0.00 ENZB ATOM 5444 N PRO 167 21.406 -4.123 -33.285 0.00 0.00 ENZB ATOM 5445 CD PRO 167 21.916 -5.361 -32.656 0.00 0.00 ENZB ATOM 5446 HD1 PRO 167 23.023 -5.266 -32.581 0.00 0.00 ENZB ATOM 5447 HD2 PRO 167 21.457 -5.489 -31.649 0.00 0.00 ENZB ATOM 5448 CA PRO 167 20.590 -4.516 -34.475 0.00 0.00 ENZB ATOM 5449 HA PRO 167 20.634 -3.728 -35.216 0.00 0.00 ENZB ATOM 5450 CB PRO 167 21.420 -5.704 -34.945 0.00 0.00 ENZB ATOM 5451 HB1 PRO 167 22.420 -5.329 -35.260 0.00 0.00 ENZB ATOM 5452 HB2 PRO 167 20.943 -6.393 -35.672 0.00 0.00 ENZB ATOM 5453 CG PRO 167 21.616 -6.470 -33.610 0.00 0.00 ENZB ATOM 5454 HG1 PRO 167 22.541 -7.056 -33.766 0.00 0.00 ENZB ATOM 5455 HG2 PRO 167 20.740 -7.121 -33.388 0.00 0.00 ENZB ATOM 5456 C PRO 167 19.124 -4.844 -34.233 0.00 0.00 ENZB ATOM 5457 O PRO 167 18.664 -4.745 -33.113 0.00 0.00 ENZB ATOM 5458 N THR 168 18.431 -5.382 -35.202 0.00 0.00 ENZB ATOM 5459 HN THR 168 18.752 -5.474 -36.145 0.00 0.00 ENZB ATOM 5460 CA THR 168 17.013 -5.687 -35.057 0.00 0.00 ENZB ATOM 5461 HA THR 168 16.646 -4.934 -34.374 0.00 0.00 ENZB ATOM 5462 CB THR 168 16.269 -5.572 -36.304 0.00 0.00 ENZB ATOM 5463 HB THR 168 16.756 -6.246 -37.053 0.00 0.00 ENZB ATOM 5464 OG1 THR 168 16.546 -4.294 -36.892 0.00 0.00 ENZB ATOM 5465 HG1 THR 168 16.313 -3.622 -36.243 0.00 0.00 ENZB ATOM 5466 CG2 THR 168 14.708 -5.738 -36.264 0.00 0.00 ENZB ATOM 5467 HG21 THR 168 14.392 -6.752 -35.937 0.00 0.00 ENZB ATOM 5468 HG22 THR 168 14.208 -5.004 -35.598 0.00 0.00 ENZB ATOM 5469 HG23 THR 168 14.248 -5.488 -37.244 0.00 0.00 ENZB ATOM 5470 C THR 168 16.885 -7.058 -34.493 0.00 0.00 ENZB ATOM 5471 O THR 168 17.630 -7.939 -34.921 0.00 0.00 ENZB ATOM 5472 N GLY 169 16.005 -7.281 -33.560 0.00 0.00 ENZB ATOM 5473 HN GLY 169 15.492 -6.501 -33.203 0.00 0.00 ENZB ATOM 5474 CA GLY 169 15.606 -8.571 -32.939 0.00 0.00 ENZB ATOM 5475 HA1 GLY 169 15.937 -9.404 -33.543 0.00 0.00 ENZB ATOM 5476 HA2 GLY 169 14.541 -8.686 -32.781 0.00 0.00 ENZB ATOM 5477 C GLY 169 16.254 -8.758 -31.598 0.00 0.00 ENZB ATOM 5478 O GLY 169 15.861 -9.524 -30.797 0.00 0.00 ENZB ATOM 5479 N ALA 170 17.316 -7.950 -31.339 0.00 0.00 ENZB ATOM 5480 HN ALA 170 17.605 -7.295 -32.036 0.00 0.00 ENZB ATOM 5481 CA ALA 170 18.044 -7.918 -30.064 0.00 0.00 ENZB ATOM 5482 HA ALA 170 18.493 -8.901 -29.991 0.00 0.00 ENZB ATOM 5483 CB ALA 170 19.200 -6.980 -30.381 0.00 0.00 ENZB ATOM 5484 HB1 ALA 170 19.783 -7.490 -31.177 0.00 0.00 ENZB ATOM 5485 HB2 ALA 170 18.809 -6.036 -30.814 0.00 0.00 ENZB ATOM 5486 HB3 ALA 170 19.860 -6.748 -29.515 0.00 0.00 ENZB ATOM 5487 C ALA 170 17.233 -7.570 -28.780 0.00 0.00 ENZB ATOM 5488 O ALA 170 16.126 -7.029 -28.767 0.00 0.00 ENZB ATOM 5489 N SER 171 17.834 -8.026 -27.634 0.00 0.00 ENZB ATOM 5490 HN SER 171 18.651 -8.600 -27.584 0.00 0.00 ENZB ATOM 5491 CA SER 171 17.227 -7.641 -26.350 0.00 0.00 ENZB ATOM 5492 HA SER 171 16.335 -7.051 -26.508 0.00 0.00 ENZB ATOM 5493 CB SER 171 16.477 -8.864 -25.682 0.00 0.00 ENZB ATOM 5494 HB1 SER 171 16.075 -8.547 -24.692 0.00 0.00 ENZB ATOM 5495 HB2 SER 171 15.550 -9.205 -26.199 0.00 0.00 ENZB ATOM 5496 OG SER 171 17.310 -9.998 -25.449 0.00 0.00 ENZB ATOM 5497 HG1 SER 171 17.378 -10.527 -26.254 0.00 0.00 ENZB ATOM 5498 C SER 171 18.182 -6.920 -25.421 0.00 0.00 ENZB ATOM 5499 O SER 171 19.411 -7.028 -25.548 0.00 0.00 ENZB ATOM 5500 N MET 172 17.648 -6.123 -24.487 0.00 0.00 ENZB ATOM 5501 HN MET 172 16.664 -6.041 -24.343 0.00 0.00 ENZB ATOM 5502 CA MET 172 18.376 -5.376 -23.481 0.00 0.00 ENZB ATOM 5503 HA MET 172 18.917 -6.155 -22.956 0.00 0.00 ENZB ATOM 5504 CB MET 172 19.386 -4.323 -24.019 0.00 0.00 ENZB ATOM 5505 HB1 MET 172 19.949 -3.888 -23.160 0.00 0.00 ENZB ATOM 5506 HB2 MET 172 20.251 -4.787 -24.541 0.00 0.00 ENZB ATOM 5507 CG MET 172 18.780 -3.053 -24.708 0.00 0.00 ENZB ATOM 5508 HG1 MET 172 18.100 -2.484 -24.040 0.00 0.00 ENZB ATOM 5509 HG2 MET 172 19.635 -2.403 -24.991 0.00 0.00 ENZB ATOM 5510 SD MET 172 17.758 -3.379 -26.203 0.00 0.00 ENZB ATOM 5511 CE MET 172 17.334 -1.732 -26.297 0.00 0.00 ENZB ATOM 5512 HE1 MET 172 17.998 -1.173 -26.990 0.00 0.00 ENZB ATOM 5513 HE2 MET 172 16.289 -1.684 -26.674 0.00 0.00 ENZB ATOM 5514 HE3 MET 172 17.423 -1.129 -25.368 0.00 0.00 ENZB ATOM 5515 C MET 172 17.498 -4.742 -22.451 0.00 0.00 ENZB ATOM 5516 O MET 172 16.329 -4.951 -22.376 0.00 0.00 ENZB ATOM 5517 N PHE 173 18.071 -4.048 -21.451 0.00 0.00 ENZB ATOM 5518 HN PHE 173 19.055 -3.906 -21.367 0.00 0.00 ENZB ATOM 5519 CA PHE 173 17.273 -3.670 -20.281 0.00 0.00 ENZB ATOM 5520 HA PHE 173 16.253 -3.516 -20.611 0.00 0.00 ENZB ATOM 5521 CB PHE 173 17.091 -4.773 -19.195 0.00 0.00 ENZB ATOM 5522 HB1 PHE 173 16.587 -4.411 -18.273 0.00 0.00 ENZB ATOM 5523 HB2 PHE 173 16.315 -5.460 -19.597 0.00 0.00 ENZB ATOM 5524 CG PHE 173 18.276 -5.552 -18.818 0.00 0.00 ENZB ATOM 5525 CD1 PHE 173 19.212 -4.996 -17.971 0.00 0.00 ENZB ATOM 5526 HD1 PHE 173 19.170 -3.971 -17.627 0.00 0.00 ENZB ATOM 5527 CE1 PHE 173 20.401 -5.715 -17.553 0.00 0.00 ENZB ATOM 5528 HE1 PHE 173 21.073 -5.170 -16.904 0.00 0.00 ENZB ATOM 5529 CZ PHE 173 20.566 -7.016 -17.950 0.00 0.00 ENZB ATOM 5530 HZ PHE 173 21.314 -7.666 -17.517 0.00 0.00 ENZB ATOM 5531 CD2 PHE 173 18.393 -7.003 -18.995 0.00 0.00 ENZB ATOM 5532 HD2 PHE 173 17.608 -7.572 -19.474 0.00 0.00 ENZB ATOM 5533 CE2 PHE 173 19.535 -7.658 -18.679 0.00 0.00 ENZB ATOM 5534 HE2 PHE 173 19.538 -8.737 -18.744 0.00 0.00 ENZB ATOM 5535 C PHE 173 17.808 -2.426 -19.494 0.00 0.00 ENZB ATOM 5536 O PHE 173 19.016 -2.129 -19.575 0.00 0.00 ENZB ATOM 5537 N VAL 174 16.954 -1.721 -18.732 0.00 0.00 ENZB ATOM 5538 HN VAL 174 16.059 -2.117 -18.541 0.00 0.00 ENZB ATOM 5539 CA VAL 174 17.422 -0.586 -17.901 0.00 0.00 ENZB ATOM 5540 HA VAL 174 18.482 -0.755 -17.764 0.00 0.00 ENZB ATOM 5541 CB VAL 174 17.257 0.766 -18.575 0.00 0.00 ENZB ATOM 5542 HB VAL 174 17.662 0.702 -19.615 0.00 0.00 ENZB ATOM 5543 CG1 VAL 174 15.805 1.203 -18.861 0.00 0.00 ENZB ATOM 5544 HG11 VAL 174 15.035 1.247 -18.062 0.00 0.00 ENZB ATOM 5545 HG12 VAL 174 15.778 2.228 -19.288 0.00 0.00 ENZB ATOM 5546 HG13 VAL 174 15.389 0.639 -19.723 0.00 0.00 ENZB ATOM 5547 CG2 VAL 174 18.115 1.837 -17.892 0.00 0.00 ENZB ATOM 5548 HG21 VAL 174 19.183 1.541 -17.812 0.00 0.00 ENZB ATOM 5549 HG22 VAL 174 18.125 2.818 -18.414 0.00 0.00 ENZB ATOM 5550 HG23 VAL 174 17.669 2.123 -16.917 0.00 0.00 ENZB ATOM 5551 C VAL 174 17.009 -0.680 -16.430 0.00 0.00 ENZB ATOM 5552 O VAL 174 15.838 -1.010 -16.115 0.00 0.00 ENZB ATOM 5553 N GLU 175 17.920 -0.395 -15.471 0.00 0.00 ENZB ATOM 5554 HN GLU 175 18.773 -0.048 -15.849 0.00 0.00 ENZB ATOM 5555 CA GLU 175 17.672 -0.637 -14.068 0.00 0.00 ENZB ATOM 5556 HA GLU 175 16.945 -1.424 -13.914 0.00 0.00 ENZB ATOM 5557 CB GLU 175 18.893 -1.072 -13.279 0.00 0.00 ENZB ATOM 5558 HB1 GLU 175 19.610 -0.221 -13.355 0.00 0.00 ENZB ATOM 5559 HB2 GLU 175 18.585 -1.241 -12.224 0.00 0.00 ENZB ATOM 5560 CG GLU 175 19.612 -2.398 -13.756 0.00 0.00 ENZB ATOM 5561 HG1 GLU 175 19.833 -2.275 -14.831 0.00 0.00 ENZB ATOM 5562 HG2 GLU 175 20.555 -2.442 -13.174 0.00 0.00 ENZB ATOM 5563 CD GLU 175 18.777 -3.579 -13.332 0.00 0.00 ENZB ATOM 5564 OE1 GLU 175 18.951 -4.227 -12.379 0.00 0.00 ENZB ATOM 5565 OE2 GLU 175 17.753 -3.940 -14.210 0.00 0.00 ENZB ATOM 5566 HE2 GLU 175 17.549 -4.795 -13.824 0.00 0.00 ENZB ATOM 5567 C GLU 175 17.071 0.578 -13.322 0.00 0.00 ENZB ATOM 5568 O GLU 175 16.784 1.637 -13.901 0.00 0.00 ENZB ATOM 5569 N GLU 176 16.702 0.345 -12.043 0.00 0.00 ENZB ATOM 5570 HN GLU 176 16.942 -0.530 -11.633 0.00 0.00 ENZB ATOM 5571 CA GLU 176 15.918 1.332 -11.338 0.00 0.00 ENZB ATOM 5572 HA GLU 176 15.010 1.561 -11.878 0.00 0.00 ENZB ATOM 5573 CB GLU 176 15.258 0.693 -10.107 0.00 0.00 ENZB ATOM 5574 HB1 GLU 176 14.607 -0.168 -10.381 0.00 0.00 ENZB ATOM 5575 HB2 GLU 176 16.068 0.233 -9.499 0.00 0.00 ENZB ATOM 5576 CG GLU 176 14.549 1.577 -9.119 0.00 0.00 ENZB ATOM 5577 HG1 GLU 176 15.277 2.229 -8.605 0.00 0.00 ENZB ATOM 5578 HG2 GLU 176 13.899 2.367 -9.549 0.00 0.00 ENZB ATOM 5579 CD GLU 176 13.661 0.981 -7.936 0.00 0.00 ENZB ATOM 5580 OE1 GLU 176 14.188 0.490 -6.931 0.00 0.00 ENZB ATOM 5581 OE2 GLU 176 12.404 1.082 -8.024 0.00 0.00 ENZB ATOM 5582 C GLU 176 16.601 2.658 -11.095 0.00 0.00 ENZB ATOM 5583 O GLU 176 17.684 2.653 -10.536 0.00 0.00 ENZB ATOM 5584 N HSP 177 15.970 3.771 -11.627 0.00 0.00 ENZB ATOM 5585 HN HSP 177 15.049 3.630 -11.999 0.00 0.00 ENZB ATOM 5586 CA HSP 177 16.643 5.050 -11.610 0.00 0.00 ENZB ATOM 5587 HA HSP 177 15.928 5.691 -12.110 0.00 0.00 ENZB ATOM 5588 CB HSP 177 16.808 5.611 -10.132 0.00 0.00 ENZB ATOM 5589 HB1 HSP 177 17.652 5.044 -9.682 0.00 0.00 ENZB ATOM 5590 HB2 HSP 177 17.028 6.697 -10.225 0.00 0.00 ENZB ATOM 5591 CD2 HSP 177 15.149 4.792 -8.273 0.00 0.00 ENZB ATOM 5592 HD2 HSP 177 15.683 3.996 -7.760 0.00 0.00 ENZB ATOM 5593 CG HSP 177 15.567 5.528 -9.284 0.00 0.00 ENZB ATOM 5594 NE2 HSP 177 13.868 5.129 -7.932 0.00 0.00 ENZB ATOM 5595 HE2 HSP 177 13.338 4.776 -7.159 0.00 0.00 ENZB ATOM 5596 ND1 HSP 177 14.483 6.329 -9.612 0.00 0.00 ENZB ATOM 5597 HD1 HSP 177 14.496 7.034 -10.323 0.00 0.00 ENZB ATOM 5598 CE1 HSP 177 13.478 6.060 -8.769 0.00 0.00 ENZB ATOM 5599 HE1 HSP 177 12.507 6.528 -8.839 0.00 0.00 ENZB ATOM 5600 C HSP 177 17.939 5.298 -12.440 0.00 0.00 ENZB ATOM 5601 O HSP 177 18.721 6.226 -12.164 0.00 0.00 ENZB ATOM 5602 N VAL 178 18.077 4.566 -13.566 0.00 0.00 ENZB ATOM 5603 HN VAL 178 17.532 3.743 -13.701 0.00 0.00 ENZB ATOM 5604 CA VAL 178 19.263 4.688 -14.445 0.00 0.00 ENZB ATOM 5605 HA VAL 178 20.067 5.103 -13.849 0.00 0.00 ENZB ATOM 5606 CB VAL 178 19.763 3.308 -14.804 0.00 0.00 ENZB ATOM 5607 HB VAL 178 18.985 2.583 -15.147 0.00 0.00 ENZB ATOM 5608 CG1 VAL 178 20.762 3.506 -16.002 0.00 0.00 ENZB ATOM 5609 HG11 VAL 178 20.360 3.951 -16.939 0.00 0.00 ENZB ATOM 5610 HG12 VAL 178 21.609 4.107 -15.614 0.00 0.00 ENZB ATOM 5611 HG13 VAL 178 21.200 2.519 -16.268 0.00 0.00 ENZB ATOM 5612 CG2 VAL 178 20.589 2.722 -13.652 0.00 0.00 ENZB ATOM 5613 HG21 VAL 178 21.658 3.019 -13.604 0.00 0.00 ENZB ATOM 5614 HG22 VAL 178 20.239 3.133 -12.682 0.00 0.00 ENZB ATOM 5615 HG23 VAL 178 20.540 1.613 -13.634 0.00 0.00 ENZB ATOM 5616 C VAL 178 18.813 5.510 -15.672 0.00 0.00 ENZB ATOM 5617 O VAL 178 17.943 5.001 -16.263 0.00 0.00 ENZB ATOM 5618 N PRO 179 19.246 6.788 -15.907 0.00 0.00 ENZB ATOM 5619 CD PRO 179 20.159 7.505 -14.999 0.00 0.00 ENZB ATOM 5620 HD1 PRO 179 19.934 7.242 -13.940 0.00 0.00 ENZB ATOM 5621 HD2 PRO 179 21.175 7.175 -15.310 0.00 0.00 ENZB ATOM 5622 CA PRO 179 18.826 7.594 -17.005 0.00 0.00 ENZB ATOM 5623 HA PRO 179 17.782 7.739 -16.752 0.00 0.00 ENZB ATOM 5624 CB PRO 179 19.565 8.925 -16.827 0.00 0.00 ENZB ATOM 5625 HB1 PRO 179 18.903 9.776 -17.102 0.00 0.00 ENZB ATOM 5626 HB2 PRO 179 20.417 8.987 -17.533 0.00 0.00 ENZB ATOM 5627 CG PRO 179 19.972 8.999 -15.383 0.00 0.00 ENZB ATOM 5628 HG1 PRO 179 19.139 9.303 -14.719 0.00 0.00 ENZB ATOM 5629 HG2 PRO 179 20.912 9.584 -15.253 0.00 0.00 ENZB ATOM 5630 C PRO 179 18.940 6.972 -18.396 0.00 0.00 ENZB ATOM 5631 O PRO 179 19.891 6.246 -18.538 0.00 0.00 ENZB ATOM 5632 N ALA 181 18.040 7.275 -22.990 0.00 0.00 ENZB ATOM 5633 HN ALA 181 18.842 6.717 -23.203 0.00 0.00 ENZB ATOM 5634 CA ALA 181 17.484 7.854 -24.183 0.00 0.00 ENZB ATOM 5635 HA ALA 181 16.401 7.893 -24.211 0.00 0.00 ENZB ATOM 5636 CB ALA 181 18.019 9.260 -24.592 0.00 0.00 ENZB ATOM 5637 HB1 ALA 181 19.130 9.235 -24.605 0.00 0.00 ENZB ATOM 5638 HB2 ALA 181 17.678 9.509 -25.620 0.00 0.00 ENZB ATOM 5639 HB3 ALA 181 17.513 9.928 -23.863 0.00 0.00 ENZB ATOM 5640 C ALA 181 17.844 6.966 -25.445 0.00 0.00 ENZB ATOM 5641 O ALA 181 18.960 6.477 -25.518 0.00 0.00 ENZB ATOM 5642 N PHE 182 16.827 6.708 -26.250 0.00 0.00 ENZB ATOM 5643 HN PHE 182 15.870 6.986 -26.191 0.00 0.00 ENZB ATOM 5644 CA PHE 182 16.964 5.894 -27.449 0.00 0.00 ENZB ATOM 5645 HA PHE 182 17.911 5.374 -27.543 0.00 0.00 ENZB ATOM 5646 CB PHE 182 15.700 4.890 -27.513 0.00 0.00 ENZB ATOM 5647 HB1 PHE 182 14.722 5.409 -27.607 0.00 0.00 ENZB ATOM 5648 HB2 PHE 182 15.881 4.286 -28.430 0.00 0.00 ENZB ATOM 5649 CG PHE 182 15.744 3.925 -26.351 0.00 0.00 ENZB ATOM 5650 CD1 PHE 182 14.898 4.003 -25.228 0.00 0.00 ENZB ATOM 5651 HD1 PHE 182 14.254 4.868 -25.139 0.00 0.00 ENZB ATOM 5652 CE1 PHE 182 14.988 3.006 -24.232 0.00 0.00 ENZB ATOM 5653 HE1 PHE 182 14.412 3.119 -23.325 0.00 0.00 ENZB ATOM 5654 CZ PHE 182 15.827 1.944 -24.330 0.00 0.00 ENZB ATOM 5655 HZ PHE 182 15.980 1.195 -23.564 0.00 0.00 ENZB ATOM 5656 CD2 PHE 182 16.422 2.777 -26.515 0.00 0.00 ENZB ATOM 5657 HD2 PHE 182 16.956 2.634 -27.444 0.00 0.00 ENZB ATOM 5658 CE2 PHE 182 16.473 1.782 -25.505 0.00 0.00 ENZB ATOM 5659 HE2 PHE 182 17.136 0.947 -25.688 0.00 0.00 ENZB ATOM 5660 C PHE 182 17.011 6.878 -28.700 0.00 0.00 ENZB ATOM 5661 O PHE 182 16.274 7.872 -28.762 0.00 0.00 ENZB ATOM 5662 N THR 183 17.781 6.617 -29.703 0.00 0.00 ENZB ATOM 5663 HN THR 183 18.509 5.935 -29.653 0.00 0.00 ENZB ATOM 5664 CA THR 183 17.433 7.057 -31.078 0.00 0.00 ENZB ATOM 5665 HA THR 183 16.453 7.516 -31.088 0.00 0.00 ENZB ATOM 5666 CB THR 183 18.339 8.163 -31.679 0.00 0.00 ENZB ATOM 5667 HB THR 183 18.004 8.398 -32.720 0.00 0.00 ENZB ATOM 5668 OG1 THR 183 19.705 7.938 -31.656 0.00 0.00 ENZB ATOM 5669 HG1 THR 183 19.822 7.115 -32.140 0.00 0.00 ENZB ATOM 5670 CG2 THR 183 18.134 9.433 -30.847 0.00 0.00 ENZB ATOM 5671 HG21 THR 183 18.577 9.193 -29.857 0.00 0.00 ENZB ATOM 5672 HG22 THR 183 18.562 10.398 -31.195 0.00 0.00 ENZB ATOM 5673 HG23 THR 183 17.051 9.509 -30.604 0.00 0.00 ENZB ATOM 5674 C THR 183 17.531 5.879 -32.003 0.00 0.00 ENZB ATOM 5675 O THR 183 18.113 4.789 -31.658 0.00 0.00 ENZB ATOM 5676 N ALA 184 16.958 5.945 -33.247 0.00 0.00 ENZB ATOM 5677 HN ALA 184 16.265 6.622 -33.492 0.00 0.00 ENZB ATOM 5678 CA ALA 184 17.334 5.015 -34.223 0.00 0.00 ENZB ATOM 5679 HA ALA 184 17.406 4.014 -33.812 0.00 0.00 ENZB ATOM 5680 CB ALA 184 16.218 5.042 -35.339 0.00 0.00 ENZB ATOM 5681 HB1 ALA 184 15.297 4.641 -34.867 0.00 0.00 ENZB ATOM 5682 HB2 ALA 184 16.036 6.100 -35.629 0.00 0.00 ENZB ATOM 5683 HB3 ALA 184 16.446 4.456 -36.256 0.00 0.00 ENZB ATOM 5684 C ALA 184 18.769 5.338 -34.805 0.00 0.00 ENZB ATOM 5685 O ALA 184 19.538 6.062 -34.141 0.00 0.00 ENZB ATOM 5686 N ALA 185 19.149 4.836 -36.011 0.00 0.00 ENZB ATOM 5687 HN ALA 185 18.543 4.357 -36.646 0.00 0.00 ENZB ATOM 5688 CA ALA 185 20.502 5.000 -36.492 0.00 0.00 ENZB ATOM 5689 HA ALA 185 21.200 5.171 -35.680 0.00 0.00 ENZB ATOM 5690 CB ALA 185 20.895 3.638 -37.151 0.00 0.00 ENZB ATOM 5691 HB1 ALA 185 21.942 3.801 -37.486 0.00 0.00 ENZB ATOM 5692 HB2 ALA 185 20.932 2.854 -36.362 0.00 0.00 ENZB ATOM 5693 HB3 ALA 185 20.349 3.226 -38.026 0.00 0.00 ENZB ATOM 5694 C ALA 185 20.592 6.128 -37.487 0.00 0.00 ENZB ATOM 5695 O ALA 185 19.637 6.373 -38.271 0.00 0.00 ENZB ATOM 5696 N LYS 186 21.709 6.860 -37.610 0.00 0.00 ENZB ATOM 5697 HN LYS 186 22.439 6.685 -36.952 0.00 0.00 ENZB ATOM 5698 CA LYS 186 21.876 8.002 -38.429 0.00 0.00 ENZB ATOM 5699 HA LYS 186 21.005 8.604 -38.195 0.00 0.00 ENZB ATOM 5700 CB LYS 186 23.234 8.675 -38.117 0.00 0.00 ENZB ATOM 5701 HB1 LYS 186 23.418 8.663 -37.017 0.00 0.00 ENZB ATOM 5702 HB2 LYS 186 24.074 8.137 -38.613 0.00 0.00 ENZB ATOM 5703 CG LYS 186 23.261 10.127 -38.587 0.00 0.00 ENZB ATOM 5704 HG1 LYS 186 23.608 10.052 -39.644 0.00 0.00 ENZB ATOM 5705 HG2 LYS 186 22.214 10.498 -38.664 0.00 0.00 ENZB ATOM 5706 CD LYS 186 24.108 11.125 -37.777 0.00 0.00 ENZB ATOM 5707 HD1 LYS 186 23.965 11.176 -36.673 0.00 0.00 ENZB ATOM 5708 HD2 LYS 186 25.121 10.707 -37.979 0.00 0.00 ENZB ATOM 5709 CE LYS 186 24.164 12.564 -38.333 0.00 0.00 ENZB ATOM 5710 HE1 LYS 186 25.179 13.005 -38.229 0.00 0.00 ENZB ATOM 5711 HE2 LYS 186 23.926 12.613 -39.417 0.00 0.00 ENZB ATOM 5712 NZ LYS 186 23.250 13.517 -37.607 0.00 0.00 ENZB ATOM 5713 HZ1 LYS 186 23.273 14.519 -37.879 0.00 0.00 ENZB ATOM 5714 HZ2 LYS 186 22.238 13.295 -37.515 0.00 0.00 ENZB ATOM 5715 HZ3 LYS 186 23.577 13.531 -36.619 0.00 0.00 ENZB ATOM 5716 C LYS 186 21.796 7.774 -39.948 0.00 0.00 ENZB ATOM 5717 O LYS 186 22.609 7.164 -40.701 0.00 0.00 ENZB ATOM 5718 N GLY 187 20.735 8.407 -40.554 0.00 0.00 ENZB ATOM 5719 HN GLY 187 20.117 8.982 -40.019 0.00 0.00 ENZB ATOM 5720 CA GLY 187 20.350 8.303 -41.987 0.00 0.00 ENZB ATOM 5721 HA1 GLY 187 21.178 7.943 -42.585 0.00 0.00 ENZB ATOM 5722 HA2 GLY 187 20.091 9.312 -42.281 0.00 0.00 ENZB ATOM 5723 C GLY 187 19.125 7.528 -42.240 0.00 0.00 ENZB ATOM 5724 O GLY 187 18.492 7.616 -43.291 0.00 0.00 ENZB ATOM 5725 N THR 188 18.737 6.632 -41.294 0.00 0.00 ENZB ATOM 5726 HN THR 188 19.356 6.641 -40.510 0.00 0.00 ENZB ATOM 5727 CA THR 188 17.615 5.716 -41.470 0.00 0.00 ENZB ATOM 5728 HA THR 188 17.533 5.464 -42.518 0.00 0.00 ENZB ATOM 5729 CB THR 188 17.735 4.406 -40.653 0.00 0.00 ENZB ATOM 5730 HB THR 188 16.859 3.751 -40.887 0.00 0.00 ENZB ATOM 5731 OG1 THR 188 17.791 4.671 -39.270 0.00 0.00 ENZB ATOM 5732 HG1 THR 188 18.476 5.316 -39.061 0.00 0.00 ENZB ATOM 5733 CG2 THR 188 18.994 3.709 -41.108 0.00 0.00 ENZB ATOM 5734 HG21 THR 188 18.911 3.584 -42.210 0.00 0.00 ENZB ATOM 5735 HG22 THR 188 19.877 4.271 -40.737 0.00 0.00 ENZB ATOM 5736 HG23 THR 188 18.980 2.676 -40.700 0.00 0.00 ENZB ATOM 5737 C THR 188 16.287 6.438 -41.230 0.00 0.00 ENZB ATOM 5738 O THR 188 15.997 7.477 -41.870 0.00 0.00 ENZB ATOM 5739 N GLY 189 15.432 5.934 -40.411 0.00 0.00 ENZB ATOM 5740 HN GLY 189 15.563 5.007 -40.064 0.00 0.00 ENZB ATOM 5741 CA GLY 189 14.118 6.560 -40.194 0.00 0.00 ENZB ATOM 5742 HA1 GLY 189 13.487 6.234 -41.009 0.00 0.00 ENZB ATOM 5743 HA2 GLY 189 14.272 7.628 -40.130 0.00 0.00 ENZB ATOM 5744 C GLY 189 13.490 6.194 -38.908 0.00 0.00 ENZB ATOM 5745 O GLY 189 13.931 6.534 -37.839 0.00 0.00 ENZB ATOM 5746 N SER 190 12.351 5.529 -38.935 0.00 0.00 ENZB ATOM 5747 HN SER 190 12.004 5.273 -39.837 0.00 0.00 ENZB ATOM 5748 CA SER 190 11.461 5.211 -37.852 0.00 0.00 ENZB ATOM 5749 HA SER 190 11.704 5.842 -37.008 0.00 0.00 ENZB ATOM 5750 CB SER 190 9.986 5.450 -38.281 0.00 0.00 ENZB ATOM 5751 HB1 SER 190 9.320 5.360 -37.392 0.00 0.00 ENZB ATOM 5752 HB2 SER 190 9.944 6.553 -38.427 0.00 0.00 ENZB ATOM 5753 OG SER 190 9.570 4.692 -39.386 0.00 0.00 ENZB ATOM 5754 HG1 SER 190 8.778 4.218 -39.101 0.00 0.00 ENZB ATOM 5755 C SER 190 11.683 3.788 -37.432 0.00 0.00 ENZB ATOM 5756 O SER 190 11.422 2.846 -38.163 0.00 0.00 ENZB ATOM 5757 N ALA 191 12.204 3.613 -36.211 0.00 0.00 ENZB ATOM 5758 HN ALA 191 12.315 4.464 -35.700 0.00 0.00 ENZB ATOM 5759 CA ALA 191 12.371 2.346 -35.474 0.00 0.00 ENZB ATOM 5760 HA ALA 191 12.420 1.495 -36.142 0.00 0.00 ENZB ATOM 5761 CB ALA 191 13.731 2.320 -34.613 0.00 0.00 ENZB ATOM 5762 HB1 ALA 191 14.711 2.551 -35.082 0.00 0.00 ENZB ATOM 5763 HB2 ALA 191 13.658 2.865 -33.646 0.00 0.00 ENZB ATOM 5764 HB3 ALA 191 13.854 1.235 -34.404 0.00 0.00 ENZB ATOM 5765 C ALA 191 11.163 2.065 -34.569 0.00 0.00 ENZB ATOM 5766 O ALA 191 10.304 2.892 -34.325 0.00 0.00 ENZB ATOM 5767 N LYS 192 10.901 0.820 -34.147 0.00 0.00 ENZB ATOM 5768 HN LYS 192 11.563 0.108 -34.377 0.00 0.00 ENZB ATOM 5769 CA LYS 192 9.761 0.405 -33.363 0.00 0.00 ENZB ATOM 5770 HA LYS 192 9.389 1.271 -32.829 0.00 0.00 ENZB ATOM 5771 CB LYS 192 8.762 -0.211 -34.334 0.00 0.00 ENZB ATOM 5772 HB1 LYS 192 8.285 0.591 -34.943 0.00 0.00 ENZB ATOM 5773 HB2 LYS 192 9.369 -0.985 -34.857 0.00 0.00 ENZB ATOM 5774 CG LYS 192 7.576 -0.930 -33.575 0.00 0.00 ENZB ATOM 5775 HG1 LYS 192 7.983 -1.676 -32.853 0.00 0.00 ENZB ATOM 5776 HG2 LYS 192 6.910 -0.185 -33.086 0.00 0.00 ENZB ATOM 5777 CD LYS 192 6.725 -1.757 -34.521 0.00 0.00 ENZB ATOM 5778 HD1 LYS 192 7.335 -2.113 -35.381 0.00 0.00 ENZB ATOM 5779 HD2 LYS 192 6.431 -2.664 -33.944 0.00 0.00 ENZB ATOM 5780 CE LYS 192 5.439 -1.033 -34.983 0.00 0.00 ENZB ATOM 5781 HE1 LYS 192 4.848 -1.646 -35.700 0.00 0.00 ENZB ATOM 5782 HE2 LYS 192 4.757 -0.801 -34.136 0.00 0.00 ENZB ATOM 5783 NZ LYS 192 5.767 0.174 -35.762 0.00 0.00 ENZB ATOM 5784 HZ1 LYS 192 5.924 0.997 -35.145 0.00 0.00 ENZB ATOM 5785 HZ2 LYS 192 6.645 0.051 -36.307 0.00 0.00 ENZB ATOM 5786 HZ3 LYS 192 5.063 0.399 -36.491 0.00 0.00 ENZB ATOM 5787 C LYS 192 10.282 -0.522 -32.282 0.00 0.00 ENZB ATOM 5788 O LYS 192 10.941 -1.561 -32.539 0.00 0.00 ENZB ATOM 5789 N LEU 193 10.066 -0.178 -30.967 0.00 0.00 ENZB ATOM 5790 HN LEU 193 9.580 0.649 -30.692 0.00 0.00 ENZB ATOM 5791 CA LEU 193 10.403 -1.099 -29.854 0.00 0.00 ENZB ATOM 5792 HA LEU 193 11.169 -1.781 -30.200 0.00 0.00 ENZB ATOM 5793 CB LEU 193 11.105 -0.234 -28.782 0.00 0.00 ENZB ATOM 5794 HB1 LEU 193 10.406 0.590 -28.504 0.00 0.00 ENZB ATOM 5795 HB2 LEU 193 11.355 -0.848 -27.890 0.00 0.00 ENZB ATOM 5796 CG LEU 193 12.377 0.518 -29.205 0.00 0.00 ENZB ATOM 5797 HG LEU 193 12.150 1.253 -30.014 0.00 0.00 ENZB ATOM 5798 CD1 LEU 193 12.973 1.430 -28.062 0.00 0.00 ENZB ATOM 5799 HD11 LEU 193 12.099 1.948 -27.611 0.00 0.00 ENZB ATOM 5800 HD12 LEU 193 13.478 0.843 -27.265 0.00 0.00 ENZB ATOM 5801 HD13 LEU 193 13.664 2.158 -28.539 0.00 0.00 ENZB ATOM 5802 CD2 LEU 193 13.481 -0.413 -29.755 0.00 0.00 ENZB ATOM 5803 HD21 LEU 193 13.209 -0.863 -30.734 0.00 0.00 ENZB ATOM 5804 HD22 LEU 193 14.342 0.250 -29.983 0.00 0.00 ENZB ATOM 5805 HD23 LEU 193 13.932 -1.126 -29.033 0.00 0.00 ENZB ATOM 5806 C LEU 193 9.249 -1.893 -29.296 0.00 0.00 ENZB ATOM 5807 O LEU 193 8.124 -1.477 -29.386 0.00 0.00 ENZB ATOM 5808 N ILE 194 9.606 -2.961 -28.555 0.00 0.00 ENZB ATOM 5809 HN ILE 194 10.557 -3.263 -28.566 0.00 0.00 ENZB ATOM 5810 CA ILE 194 8.697 -3.532 -27.577 0.00 0.00 ENZB ATOM 5811 HA ILE 194 7.722 -3.059 -27.584 0.00 0.00 ENZB ATOM 5812 CB ILE 194 8.600 -5.053 -27.647 0.00 0.00 ENZB ATOM 5813 HB ILE 194 9.665 -5.347 -27.466 0.00 0.00 ENZB ATOM 5814 CG2 ILE 194 7.647 -5.575 -26.608 0.00 0.00 ENZB ATOM 5815 HG21 ILE 194 7.817 -6.650 -26.389 0.00 0.00 ENZB ATOM 5816 HG22 ILE 194 7.895 -5.213 -25.587 0.00 0.00 ENZB ATOM 5817 HG23 ILE 194 6.607 -5.319 -26.898 0.00 0.00 ENZB ATOM 5818 CG1 ILE 194 8.071 -5.587 -29.031 0.00 0.00 ENZB ATOM 5819 HG11 ILE 194 8.852 -5.407 -29.802 0.00 0.00 ENZB ATOM 5820 HG12 ILE 194 7.850 -6.672 -28.911 0.00 0.00 ENZB ATOM 5821 CD ILE 194 6.751 -4.956 -29.644 0.00 0.00 ENZB ATOM 5822 HD1 ILE 194 6.979 -3.921 -29.982 0.00 0.00 ENZB ATOM 5823 HD2 ILE 194 6.417 -5.555 -30.518 0.00 0.00 ENZB ATOM 5824 HD3 ILE 194 6.035 -5.021 -28.799 0.00 0.00 ENZB ATOM 5825 C ILE 194 9.325 -3.138 -26.189 0.00 0.00 ENZB ATOM 5826 O ILE 194 10.495 -3.463 -25.929 0.00 0.00 ENZB ATOM 5827 N ALA 195 8.567 -2.414 -25.360 0.00 0.00 ENZB ATOM 5828 HN ALA 195 7.621 -2.165 -25.567 0.00 0.00 ENZB ATOM 5829 CA ALA 195 9.134 -1.896 -24.090 0.00 0.00 ENZB ATOM 5830 HA ALA 195 10.120 -2.309 -23.912 0.00 0.00 ENZB ATOM 5831 CB ALA 195 9.221 -0.292 -24.239 0.00 0.00 ENZB ATOM 5832 HB1 ALA 195 9.326 0.155 -23.227 0.00 0.00 ENZB ATOM 5833 HB2 ALA 195 10.122 -0.243 -24.887 0.00 0.00 ENZB ATOM 5834 HB3 ALA 195 8.257 0.128 -24.601 0.00 0.00 ENZB ATOM 5835 C ALA 195 8.294 -2.337 -22.866 0.00 0.00 ENZB ATOM 5836 O ALA 195 7.167 -1.897 -22.636 0.00 0.00 ENZB ATOM 5837 N VAL 196 8.797 -3.306 -22.109 0.00 0.00 ENZB ATOM 5838 HN VAL 196 9.710 -3.634 -22.339 0.00 0.00 ENZB ATOM 5839 CA VAL 196 8.129 -3.850 -20.963 0.00 0.00 ENZB ATOM 5840 HA VAL 196 7.078 -3.593 -20.985 0.00 0.00 ENZB ATOM 5841 CB VAL 196 8.198 -5.442 -20.924 0.00 0.00 ENZB ATOM 5842 HB VAL 196 9.212 -5.860 -21.138 0.00 0.00 ENZB ATOM 5843 CG1 VAL 196 7.475 -5.951 -19.667 0.00 0.00 ENZB ATOM 5844 HG11 VAL 196 6.531 -5.374 -19.550 0.00 0.00 ENZB ATOM 5845 HG12 VAL 196 7.189 -7.013 -19.509 0.00 0.00 ENZB ATOM 5846 HG13 VAL 196 8.079 -5.757 -18.756 0.00 0.00 ENZB ATOM 5847 CG2 VAL 196 7.497 -5.990 -22.153 0.00 0.00 ENZB ATOM 5848 HG21 VAL 196 7.659 -7.085 -22.076 0.00 0.00 ENZB ATOM 5849 HG22 VAL 196 6.418 -5.738 -22.077 0.00 0.00 ENZB ATOM 5850 HG23 VAL 196 8.095 -5.612 -23.009 0.00 0.00 ENZB ATOM 5851 C VAL 196 8.733 -3.329 -19.696 0.00 0.00 ENZB ATOM 5852 O VAL 196 9.833 -3.735 -19.354 0.00 0.00 ENZB ATOM 5853 N ASN 197 8.020 -2.506 -18.933 0.00 0.00 ENZB ATOM 5854 HN ASN 197 7.101 -2.310 -19.273 0.00 0.00 ENZB ATOM 5855 CA ASN 197 8.475 -2.192 -17.600 0.00 0.00 ENZB ATOM 5856 HA ASN 197 9.556 -2.217 -17.523 0.00 0.00 ENZB ATOM 5857 CB ASN 197 7.823 -0.819 -17.191 0.00 0.00 ENZB ATOM 5858 HB1 ASN 197 6.728 -0.809 -17.390 0.00 0.00 ENZB ATOM 5859 HB2 ASN 197 7.938 -0.659 -16.100 0.00 0.00 ENZB ATOM 5860 CG ASN 197 8.360 0.361 -18.004 0.00 0.00 ENZB ATOM 5861 OD1 ASN 197 8.078 0.489 -19.176 0.00 0.00 ENZB ATOM 5862 ND2 ASN 197 9.187 1.247 -17.418 0.00 0.00 ENZB ATOM 5863 HD21 ASN 197 9.544 2.010 -17.950 0.00 0.00 ENZB ATOM 5864 HD22 ASN 197 9.595 1.125 -16.518 0.00 0.00 ENZB ATOM 5865 C ASN 197 8.112 -3.215 -16.597 0.00 0.00 ENZB ATOM 5866 O ASN 197 6.997 -3.803 -16.696 0.00 0.00 ENZB ATOM 5867 N PHE 198 8.975 -3.529 -15.575 0.00 0.00 ENZB ATOM 5868 HN PHE 198 9.897 -3.146 -15.548 0.00 0.00 ENZB ATOM 5869 CA PHE 198 8.780 -4.566 -14.557 0.00 0.00 ENZB ATOM 5870 HA PHE 198 7.746 -4.472 -14.250 0.00 0.00 ENZB ATOM 5871 CB PHE 198 8.898 -5.965 -15.189 0.00 0.00 ENZB ATOM 5872 HB1 PHE 198 8.326 -6.728 -14.615 0.00 0.00 ENZB ATOM 5873 HB2 PHE 198 8.568 -6.019 -16.249 0.00 0.00 ENZB ATOM 5874 CG PHE 198 10.348 -6.423 -15.355 0.00 0.00 ENZB ATOM 5875 CD1 PHE 198 10.837 -7.516 -14.594 0.00 0.00 ENZB ATOM 5876 HD1 PHE 198 10.148 -7.899 -13.854 0.00 0.00 ENZB ATOM 5877 CE1 PHE 198 12.110 -8.002 -14.716 0.00 0.00 ENZB ATOM 5878 HE1 PHE 198 12.527 -8.831 -14.163 0.00 0.00 ENZB ATOM 5879 CZ PHE 198 13.009 -7.372 -15.654 0.00 0.00 ENZB ATOM 5880 HZ PHE 198 14.025 -7.740 -15.683 0.00 0.00 ENZB ATOM 5881 CD2 PHE 198 11.272 -5.807 -16.214 0.00 0.00 ENZB ATOM 5882 HD2 PHE 198 11.025 -4.912 -16.768 0.00 0.00 ENZB ATOM 5883 CE2 PHE 198 12.619 -6.239 -16.331 0.00 0.00 ENZB ATOM 5884 HE2 PHE 198 13.286 -5.662 -16.956 0.00 0.00 ENZB ATOM 5885 C PHE 198 9.467 -4.462 -13.180 0.00 0.00 ENZB ATOM 5886 OT1 PHE 198 9.378 -5.437 -12.339 0.00 0.00 ENZB ATOM 5887 OT2 PHE 198 10.235 -3.479 -12.940 0.00 0.00 ENZB ATOM 5888 FE HPPE 1 12.181 3.967 -19.771 0.00 0.00 HPPB ATOM 5889 P1 HPPE 1 10.771 6.182 -21.533 0.00 0.00 HPPB ATOM 5890 C10 HPPE 1 10.537 4.649 -23.920 0.00 0.00 HPPB ATOM 5891 C20 HPPE 1 11.492 4.992 -22.785 0.00 0.00 HPPB ATOM 5892 O10 HPPE 1 11.906 3.808 -22.119 0.00 0.00 HPPB ATOM 5893 C30 HPPE 1 11.158 3.682 -24.936 0.00 0.00 HPPB ATOM 5894 O40 HPPE 1 10.652 5.444 -20.105 0.00 0.00 HPPB ATOM 5895 O30 HPPE 1 9.439 6.675 -21.969 0.00 0.00 HPPB ATOM 5896 O20 HPPE 1 11.777 7.419 -21.385 0.00 0.00 HPPB ATOM 5897 H10 HPPE 1 9.719 4.125 -23.472 0.00 0.00 HPPB ATOM 5898 H20 HPPE 1 10.362 5.563 -24.448 0.00 0.00 HPPB ATOM 5899 H30 HPPE 1 11.649 2.845 -21.959 0.00 0.00 HPPB ATOM 5900 H50 HPPE 1 12.156 3.440 -24.635 0.00 0.00 HPPB ATOM 5901 H60 HPPE 1 10.572 2.788 -24.981 0.00 0.00 HPPB ATOM 5902 H70 HPPE 1 11.179 4.144 -25.901 0.00 0.00 HPPB ATOM 5903 H40 HPPE 1 12.327 5.482 -23.240 0.00 0.00 HPPB ATOM 5904 CB1 HPPE 1 11.234 6.033 -14.452 0.00 0.00 HPPB ATOM 5905 HB11 HPPE 1 10.280 5.761 -13.951 0.00 0.00 HPPB ATOM 5906 HB21 HPPE 1 11.093 7.050 -14.880 0.00 0.00 HPPB ATOM 5907 ND11 HPPE 1 11.537 3.695 -15.412 0.00 0.00 HPPB ATOM 5908 HD11 HPPE 1 11.360 3.188 -14.568 0.00 0.00 HPPB ATOM 5909 CG1 HPPE 1 11.474 5.062 -15.570 0.00 0.00 HPPB ATOM 5910 CE11 HPPE 1 11.763 3.150 -16.621 0.00 0.00 HPPB ATOM 5911 HE11 HPPE 1 11.852 2.075 -16.798 0.00 0.00 HPPB ATOM 5912 NE21 HPPE 1 11.852 4.084 -17.548 0.00 0.00 HPPB ATOM 5913 CD21 HPPE 1 11.671 5.288 -16.895 0.00 0.00 HPPB ATOM 5914 HD21 HPPE 1 11.729 6.225 -17.435 0.00 0.00 HPPB ATOM 5915 CB2 HPPE 1 17.779 5.128 -20.746 0.00 0.00 HPPB ATOM 5916 HB12 HPPE 1 17.688 4.833 -21.814 0.00 0.00 HPPB ATOM 5917 HB22 HPPE 1 18.551 4.466 -20.295 0.00 0.00 HPPB ATOM 5918 ND12 HPPE 1 16.292 4.864 -18.702 0.00 0.00 HPPB ATOM 5919 HD12 HPPE 1 16.992 5.068 -18.017 0.00 0.00 HPPB ATOM 5920 CG2 HPPE 1 16.464 4.873 -20.072 0.00 0.00 HPPB ATOM 5921 CE12 HPPE 1 14.999 4.650 -18.440 0.00 0.00 HPPB ATOM 5922 HE12 HPPE 1 14.581 4.603 -17.431 0.00 0.00 HPPB ATOM 5923 NE22 HPPE 1 14.319 4.515 -19.556 0.00 0.00 HPPB ATOM 5924 CD22 HPPE 1 15.231 4.653 -20.598 0.00 0.00 HPPB ATOM 5925 HD22 HPPE 1 14.930 4.551 -21.634 0.00 0.00 HPPB ATOM 5926 CB3 HPPE 1 12.591 -0.649 -18.384 0.00 0.00 HPPB ATOM 5927 HB13 HPPE 1 11.878 -0.049 -17.773 0.00 0.00 HPPB ATOM 5928 HB23 HPPE 1 13.588 -0.176 -18.242 0.00 0.00 HPPB ATOM 5929 CG3 HPPE 1 12.190 -0.508 -19.836 0.00 0.00 HPPB ATOM 5930 HG13 HPPE 1 12.990 -0.916 -20.481 0.00 0.00 HPPB ATOM 5931 HG23 HPPE 1 11.245 -1.049 -20.041 0.00 0.00 HPPB ATOM 5932 CD3 HPPE 1 12.022 0.947 -20.247 0.00 0.00 HPPB ATOM 5933 OE13 HPPE 1 12.628 1.836 -19.597 0.00 0.00 HPPB ATOM 5934 OE23 HPPE 1 11.290 1.209 -21.225 0.00 0.00 HPPB ATOM 5935 N1 HPPE 1 13.650 6.259 -14.046 0.00 0.00 HPPB ATOM 5936 HN1 HPPE 1 14.298 5.507 -13.932 0.00 0.00 HPPB ATOM 5937 CA1 HPPE 1 12.358 6.067 -13.404 0.00 0.00 HPPB ATOM 5938 HA1 HPPE 1 12.206 6.910 -12.742 0.00 0.00 HPPB ATOM 5939 C1 HPPE 1 12.309 4.809 -12.555 0.00 0.00 HPPB ATOM 5940 O1 HPPE 1 13.151 3.924 -12.691 0.00 0.00 HPPB ATOM 5941 N2 HPPE 1 17.976 7.128 -19.339 0.00 0.00 HPPB ATOM 5942 HN2 HPPE 1 17.314 7.875 -19.308 0.00 0.00 HPPB ATOM 5943 CA2 HPPE 1 18.248 6.594 -20.668 0.00 0.00 HPPB ATOM 5944 HA2 HPPE 1 19.317 6.667 -20.829 0.00 0.00 HPPB ATOM 5945 C2 HPPE 1 17.568 7.401 -21.763 0.00 0.00 HPPB ATOM 5946 O2 HPPE 1 16.680 8.205 -21.484 0.00 0.00 HPPB ATOM 5947 N3 HPPE 1 13.233 -2.080 -16.513 0.00 0.00 HPPB ATOM 5948 HN3 HPPE 1 14.081 -2.603 -16.445 0.00 0.00 HPPB ATOM 5949 CA3 HPPE 1 12.610 -2.077 -17.829 0.00 0.00 HPPB ATOM 5950 HA3 HPPE 1 11.597 -2.443 -17.717 0.00 0.00 HPPB ATOM 5951 C3 HPPE 1 13.321 -3.008 -18.793 0.00 0.00 HPPB ATOM 5952 O3 HPPE 1 14.552 -3.033 -18.867 0.00 0.00 HPPB ATOM 5953 OH2 TIP3 301 24.235 20.892 -21.528 0.00 0.00 WATB ATOM 5954 H1 TIP3 301 24.195 21.677 -22.076 0.00 0.00 WATB ATOM 5955 H2 TIP3 301 24.489 20.192 -22.131 0.00 0.00 WATB ATOM 5956 OH2 TIP3 302 13.989 1.008 -15.579 0.00 0.00 WATB ATOM 5957 H1 TIP3 302 13.671 0.746 -14.715 0.00 0.00 WATB ATOM 5958 H2 TIP3 302 14.731 0.426 -15.747 0.00 0.00 WATB ATOM 5959 OH2 TIP3 303 -11.727 0.297 -4.022 0.00 0.00 WATB ATOM 5960 H1 TIP3 303 -12.290 -0.212 -4.607 0.00 0.00 WATB ATOM 5961 H2 TIP3 303 -12.138 1.160 -3.985 0.00 0.00 WATB ATOM 5962 OH2 TIP3 304 12.022 2.933 -41.208 0.00 0.00 WATB ATOM 5963 H1 TIP3 304 12.153 2.845 -40.264 0.00 0.00 WATB ATOM 5964 H2 TIP3 304 12.598 2.272 -41.594 0.00 0.00 WATB ATOM 5965 OH2 TIP3 305 0.323 -0.808 -20.629 0.00 0.00 WATB ATOM 5966 H1 TIP3 305 -0.347 -1.304 -21.102 0.00 0.00 WATB ATOM 5967 H2 TIP3 305 1.105 -0.880 -21.178 0.00 0.00 WATB ATOM 5968 OH2 TIP3 306 0.518 15.324 31.445 0.00 0.00 WATB ATOM 5969 H1 TIP3 306 0.103 15.811 32.156 0.00 0.00 WATB ATOM 5970 H2 TIP3 306 1.254 15.874 31.175 0.00 0.00 WATB ATOM 5971 OH2 TIP3 307 14.118 7.882 -22.529 0.00 0.00 WATB ATOM 5972 H1 TIP3 307 14.933 7.859 -22.027 0.00 0.00 WATB ATOM 5973 H2 TIP3 307 13.473 7.465 -21.959 0.00 0.00 WATB ATOM 5974 OH2 TIP3 308 15.088 3.888 -14.777 0.00 0.00 WATB ATOM 5975 H1 TIP3 308 14.357 3.413 -15.175 0.00 0.00 WATB ATOM 5976 H2 TIP3 308 15.807 3.257 -14.771 0.00 0.00 WATB ATOM 5977 OH2 TIP3 309 6.986 1.125 -21.719 0.00 0.00 WATB ATOM 5978 H1 TIP3 309 7.054 0.258 -22.118 0.00 0.00 WATB ATOM 5979 H2 TIP3 309 7.302 1.001 -20.822 0.00 0.00 WATB ATOM 5980 OH2 TIP3 310 0.479 29.845 -15.784 0.00 0.00 WATB ATOM 5981 H1 TIP3 310 -0.465 29.859 -15.624 0.00 0.00 WATB ATOM 5982 H2 TIP3 310 0.561 29.765 -16.734 0.00 0.00 WATB ATOM 5983 OH2 TIP3 311 26.712 5.842 -35.754 0.00 0.00 WATB ATOM 5984 H1 TIP3 311 26.408 6.748 -35.687 0.00 0.00 WATB ATOM 5985 H2 TIP3 311 27.071 5.644 -34.890 0.00 0.00 WATB ATOM 5986 OH2 TIP3 312 24.992 18.125 -14.151 0.00 0.00 WATB ATOM 5987 H1 TIP3 312 25.460 18.469 -13.391 0.00 0.00 WATB ATOM 5988 H2 TIP3 312 25.298 17.220 -14.230 0.00 0.00 WATB ATOM 5989 OH2 TIP3 313 25.361 -4.379 -12.917 0.00 0.00 WATB ATOM 5990 H1 TIP3 313 25.662 -5.049 -12.302 0.00 0.00 WATB ATOM 5991 H2 TIP3 313 24.577 -4.756 -13.317 0.00 0.00 WATB ATOM 5992 OH2 TIP3 314 -18.129 -2.359 -2.253 0.00 0.00 WATB ATOM 5993 H1 TIP3 314 -18.223 -2.632 -3.165 0.00 0.00 WATB ATOM 5994 H2 TIP3 314 -19.029 -2.263 -1.937 0.00 0.00 WATB ATOM 5995 OH2 TIP3 1 19.243 7.013 -2.549 0.00 0.00 SOLV ATOM 5996 H1 TIP3 1 20.061 7.406 -2.737 0.00 0.00 SOLV ATOM 5997 H2 TIP3 1 19.513 6.071 -2.474 0.00 0.00 SOLV ATOM 5998 OH2 TIP3 2 3.751 -4.083 -40.259 0.00 0.00 SOLV ATOM 5999 H1 TIP3 2 4.099 -3.271 -40.736 0.00 0.00 SOLV ATOM 6000 H2 TIP3 2 3.859 -3.851 -39.319 0.00 0.00 SOLV ATOM 6001 OH2 TIP3 3 12.144 8.391 -41.812 0.00 0.00 SOLV ATOM 6002 H1 TIP3 3 11.213 8.211 -41.985 0.00 0.00 SOLV ATOM 6003 H2 TIP3 3 12.125 8.712 -40.906 0.00 0.00 SOLV ATOM 6004 OH2 TIP3 4 -1.222 6.284 -35.770 0.00 0.00 SOLV ATOM 6005 H1 TIP3 4 -1.897 6.719 -35.222 0.00 0.00 SOLV ATOM 6006 H2 TIP3 4 -1.720 5.865 -36.442 0.00 0.00 SOLV ATOM 6007 OH2 TIP3 5 -2.320 -24.355 -32.244 0.00 0.00 SOLV ATOM 6008 H1 TIP3 5 -2.379 -23.616 -32.865 0.00 0.00 SOLV ATOM 6009 H2 TIP3 5 -1.940 -24.026 -31.420 0.00 0.00 SOLV ATOM 6010 OH2 TIP3 6 20.705 -23.287 -26.771 0.00 0.00 SOLV ATOM 6011 H1 TIP3 6 20.047 -23.348 -27.486 0.00 0.00 SOLV ATOM 6012 H2 TIP3 6 20.495 -24.092 -26.233 0.00 0.00 SOLV ATOM 6013 OH2 TIP3 7 11.024 -19.452 -23.376 0.00 0.00 SOLV ATOM 6014 H1 TIP3 7 10.791 -19.707 -24.230 0.00 0.00 SOLV ATOM 6015 H2 TIP3 7 10.650 -18.531 -23.383 0.00 0.00 SOLV ATOM 6016 OH2 TIP3 8 4.214 -24.226 -9.940 0.00 0.00 SOLV ATOM 6017 H1 TIP3 8 4.317 -23.352 -9.489 0.00 0.00 SOLV ATOM 6018 H2 TIP3 8 5.154 -24.554 -9.814 0.00 0.00 SOLV ATOM 6019 OH2 TIP3 9 21.652 -20.695 -18.678 0.00 0.00 SOLV ATOM 6020 H1 TIP3 9 21.881 -19.924 -19.156 0.00 0.00 SOLV ATOM 6021 H2 TIP3 9 21.392 -20.447 -17.762 0.00 0.00 SOLV ATOM 6022 OH2 TIP3 10 -27.487 -10.028 6.123 0.00 0.00 SOLV ATOM 6023 H1 TIP3 10 -27.557 -10.872 5.603 0.00 0.00 SOLV ATOM 6024 H2 TIP3 10 -26.685 -9.698 5.743 0.00 0.00 SOLV ATOM 6025 OH2 TIP3 11 13.356 -10.596 -43.694 0.00 0.00 SOLV ATOM 6026 H1 TIP3 11 12.523 -11.131 -43.470 0.00 0.00 SOLV ATOM 6027 H2 TIP3 11 14.047 -11.141 -43.346 0.00 0.00 SOLV ATOM 6028 OH2 TIP3 12 20.024 -12.870 -40.943 0.00 0.00 SOLV ATOM 6029 H1 TIP3 12 19.483 -12.779 -40.115 0.00 0.00 SOLV ATOM 6030 H2 TIP3 12 19.882 -12.084 -41.476 0.00 0.00 SOLV ATOM 6031 OH2 TIP3 13 21.788 -11.542 -15.201 0.00 0.00 SOLV ATOM 6032 H1 TIP3 13 20.950 -11.800 -14.737 0.00 0.00 SOLV ATOM 6033 H2 TIP3 13 21.536 -11.177 -16.024 0.00 0.00 SOLV ATOM 6034 OH2 TIP3 14 14.698 -15.174 -11.495 0.00 0.00 SOLV ATOM 6035 H1 TIP3 14 15.328 -15.596 -12.078 0.00 0.00 SOLV ATOM 6036 H2 TIP3 14 14.216 -15.974 -11.072 0.00 0.00 SOLV ATOM 6037 OH2 TIP3 15 14.244 -18.499 -40.757 0.00 0.00 SOLV ATOM 6038 H1 TIP3 15 14.225 -17.955 -41.569 0.00 0.00 SOLV ATOM 6039 H2 TIP3 15 15.138 -18.321 -40.475 0.00 0.00 SOLV ATOM 6040 OH2 TIP3 16 24.353 -7.353 -31.087 0.00 0.00 SOLV ATOM 6041 H1 TIP3 16 25.197 -7.661 -30.667 0.00 0.00 SOLV ATOM 6042 H2 TIP3 16 23.680 -7.700 -30.489 0.00 0.00 SOLV ATOM 6043 OH2 TIP3 17 -25.656 -14.262 -25.269 0.00 0.00 SOLV ATOM 6044 H1 TIP3 17 -25.474 -13.455 -24.840 0.00 0.00 SOLV ATOM 6045 H2 TIP3 17 -26.087 -13.975 -26.116 0.00 0.00 SOLV ATOM 6046 OH2 TIP3 18 15.943 -19.122 -21.005 0.00 0.00 SOLV ATOM 6047 H1 TIP3 18 15.214 -18.993 -21.664 0.00 0.00 SOLV ATOM 6048 H2 TIP3 18 15.672 -19.947 -20.503 0.00 0.00 SOLV ATOM 6049 OH2 TIP3 19 -30.575 -7.004 -9.086 0.00 0.00 SOLV ATOM 6050 H1 TIP3 19 -30.572 -8.002 -9.245 0.00 0.00 SOLV ATOM 6051 H2 TIP3 19 -29.805 -6.825 -8.564 0.00 0.00 SOLV ATOM 6052 OH2 TIP3 20 -34.897 -1.734 -1.538 0.00 0.00 SOLV ATOM 6053 H1 TIP3 20 -34.520 -1.035 -0.912 0.00 0.00 SOLV ATOM 6054 H2 TIP3 20 -35.046 -2.490 -0.927 0.00 0.00 SOLV ATOM 6055 OH2 TIP3 21 0.717 -5.440 4.932 0.00 0.00 SOLV ATOM 6056 H1 TIP3 21 1.632 -5.607 5.088 0.00 0.00 SOLV ATOM 6057 H2 TIP3 21 0.510 -4.778 5.675 0.00 0.00 SOLV ATOM 6058 OH2 TIP3 22 20.459 -2.274 4.407 0.00 0.00 SOLV ATOM 6059 H1 TIP3 22 21.063 -2.977 4.040 0.00 0.00 SOLV ATOM 6060 H2 TIP3 22 20.894 -1.449 4.169 0.00 0.00 SOLV ATOM 6061 OH2 TIP3 23 15.199 -12.310 -2.920 0.00 0.00 SOLV ATOM 6062 H1 TIP3 23 15.762 -12.707 -2.180 0.00 0.00 SOLV ATOM 6063 H2 TIP3 23 15.606 -11.409 -3.052 0.00 0.00 SOLV ATOM 6064 OH2 TIP3 24 23.514 -12.376 -41.710 0.00 0.00 SOLV ATOM 6065 H1 TIP3 24 23.140 -11.456 -41.736 0.00 0.00 SOLV ATOM 6066 H2 TIP3 24 24.328 -12.259 -42.203 0.00 0.00 SOLV ATOM 6067 OH2 TIP3 25 16.002 -23.435 -31.750 0.00 0.00 SOLV ATOM 6068 H1 TIP3 25 16.580 -24.097 -32.108 0.00 0.00 SOLV ATOM 6069 H2 TIP3 25 16.036 -22.767 -32.395 0.00 0.00 SOLV ATOM 6070 OH2 TIP3 26 19.021 -8.502 -49.363 0.00 0.00 SOLV ATOM 6071 H1 TIP3 26 18.429 -9.198 -49.009 0.00 0.00 SOLV ATOM 6072 H2 TIP3 26 19.545 -8.345 -48.589 0.00 0.00 SOLV ATOM 6073 OH2 TIP3 27 20.002 13.885 -41.313 0.00 0.00 SOLV ATOM 6074 H1 TIP3 27 19.613 14.746 -41.291 0.00 0.00 SOLV ATOM 6075 H2 TIP3 27 19.673 13.479 -42.123 0.00 0.00 SOLV ATOM 6076 OH2 TIP3 28 10.692 -15.585 -29.190 0.00 0.00 SOLV ATOM 6077 H1 TIP3 28 10.644 -15.732 -30.117 0.00 0.00 SOLV ATOM 6078 H2 TIP3 28 11.435 -14.961 -29.112 0.00 0.00 SOLV ATOM 6079 OH2 TIP3 29 12.623 -19.522 -29.648 0.00 0.00 SOLV ATOM 6080 H1 TIP3 29 13.006 -19.566 -28.787 0.00 0.00 SOLV ATOM 6081 H2 TIP3 29 12.893 -20.353 -30.112 0.00 0.00 SOLV ATOM 6082 OH2 TIP3 30 -26.630 -12.830 -21.990 0.00 0.00 SOLV ATOM 6083 H1 TIP3 30 -26.210 -12.247 -22.696 0.00 0.00 SOLV ATOM 6084 H2 TIP3 30 -25.931 -13.517 -21.956 0.00 0.00 SOLV ATOM 6085 OH2 TIP3 31 -16.832 2.552 -29.255 0.00 0.00 SOLV ATOM 6086 H1 TIP3 31 -16.161 1.978 -28.807 0.00 0.00 SOLV ATOM 6087 H2 TIP3 31 -17.509 1.891 -29.398 0.00 0.00 SOLV ATOM 6088 OH2 TIP3 32 7.787 2.357 -4.138 0.00 0.00 SOLV ATOM 6089 H1 TIP3 32 7.847 1.437 -3.898 0.00 0.00 SOLV ATOM 6090 H2 TIP3 32 8.353 2.440 -4.873 0.00 0.00 SOLV ATOM 6091 OH2 TIP3 33 19.093 -11.767 -1.741 0.00 0.00 SOLV ATOM 6092 H1 TIP3 33 18.478 -11.212 -2.264 0.00 0.00 SOLV ATOM 6093 H2 TIP3 33 19.055 -12.642 -2.272 0.00 0.00 SOLV ATOM 6094 OH2 TIP3 34 20.685 -15.642 -5.259 0.00 0.00 SOLV ATOM 6095 H1 TIP3 34 20.265 -14.889 -4.738 0.00 0.00 SOLV ATOM 6096 H2 TIP3 34 21.382 -15.891 -4.660 0.00 0.00 SOLV ATOM 6097 OH2 TIP3 35 19.152 -14.166 -46.358 0.00 0.00 SOLV ATOM 6098 H1 TIP3 35 18.680 -13.254 -46.396 0.00 0.00 SOLV ATOM 6099 H2 TIP3 35 19.089 -14.444 -45.449 0.00 0.00 SOLV ATOM 6100 OH2 TIP3 36 7.019 -10.269 -42.641 0.00 0.00 SOLV ATOM 6101 H1 TIP3 36 6.167 -10.329 -43.143 0.00 0.00 SOLV ATOM 6102 H2 TIP3 36 7.056 -11.240 -42.248 0.00 0.00 SOLV ATOM 6103 OH2 TIP3 37 -27.261 -15.484 -20.462 0.00 0.00 SOLV ATOM 6104 H1 TIP3 37 -27.658 -15.636 -21.337 0.00 0.00 SOLV ATOM 6105 H2 TIP3 37 -27.871 -16.037 -19.937 0.00 0.00 SOLV ATOM 6106 OH2 TIP3 38 22.023 -15.630 -20.092 0.00 0.00 SOLV ATOM 6107 H1 TIP3 38 21.652 -15.096 -20.867 0.00 0.00 SOLV ATOM 6108 H2 TIP3 38 22.084 -14.997 -19.349 0.00 0.00 SOLV ATOM 6109 OH2 TIP3 39 10.879 14.571 -10.746 0.00 0.00 SOLV ATOM 6110 H1 TIP3 39 10.953 15.503 -10.709 0.00 0.00 SOLV ATOM 6111 H2 TIP3 39 11.749 14.291 -10.372 0.00 0.00 SOLV ATOM 6112 OH2 TIP3 40 12.817 -5.384 -41.604 0.00 0.00 SOLV ATOM 6113 H1 TIP3 40 12.126 -5.881 -42.074 0.00 0.00 SOLV ATOM 6114 H2 TIP3 40 12.843 -4.637 -42.186 0.00 0.00 SOLV ATOM 6115 OH2 TIP3 41 18.323 -21.513 -34.318 0.00 0.00 SOLV ATOM 6116 H1 TIP3 41 18.965 -22.291 -34.233 0.00 0.00 SOLV ATOM 6117 H2 TIP3 41 18.904 -20.750 -34.105 0.00 0.00 SOLV ATOM 6118 OH2 TIP3 42 23.788 -4.838 0.106 0.00 0.00 SOLV ATOM 6119 H1 TIP3 42 23.556 -4.156 -0.635 0.00 0.00 SOLV ATOM 6120 H2 TIP3 42 24.264 -4.367 0.825 0.00 0.00 SOLV ATOM 6121 OH2 TIP3 43 -21.326 -10.873 5.918 0.00 0.00 SOLV ATOM 6122 H1 TIP3 43 -21.184 -10.148 6.563 0.00 0.00 SOLV ATOM 6123 H2 TIP3 43 -22.120 -10.492 5.464 0.00 0.00 SOLV ATOM 6124 OH2 TIP3 44 8.695 -15.314 -35.765 0.00 0.00 SOLV ATOM 6125 H1 TIP3 44 9.173 -14.876 -36.520 0.00 0.00 SOLV ATOM 6126 H2 TIP3 44 9.134 -16.160 -35.653 0.00 0.00 SOLV ATOM 6127 OH2 TIP3 45 20.059 -8.809 -4.840 0.00 0.00 SOLV ATOM 6128 H1 TIP3 45 19.768 -8.369 -5.655 0.00 0.00 SOLV ATOM 6129 H2 TIP3 45 19.815 -8.144 -4.076 0.00 0.00 SOLV ATOM 6130 OH2 TIP3 46 13.735 -13.812 -22.138 0.00 0.00 SOLV ATOM 6131 H1 TIP3 46 14.181 -13.551 -22.969 0.00 0.00 SOLV ATOM 6132 H2 TIP3 46 14.575 -13.807 -21.600 0.00 0.00 SOLV ATOM 6133 OH2 TIP3 47 21.784 -8.034 -1.033 0.00 0.00 SOLV ATOM 6134 H1 TIP3 47 22.081 -7.657 -0.208 0.00 0.00 SOLV ATOM 6135 H2 TIP3 47 22.542 -8.453 -1.486 0.00 0.00 SOLV ATOM 6136 OH2 TIP3 48 17.950 -9.275 1.579 0.00 0.00 SOLV ATOM 6137 H1 TIP3 48 17.108 -8.763 1.599 0.00 0.00 SOLV ATOM 6138 H2 TIP3 48 18.410 -8.915 2.330 0.00 0.00 SOLV ATOM 6139 OH2 TIP3 49 18.955 0.592 5.427 0.00 0.00 SOLV ATOM 6140 H1 TIP3 49 18.195 0.380 5.834 0.00 0.00 SOLV ATOM 6141 H2 TIP3 49 18.770 0.796 4.511 0.00 0.00 SOLV ATOM 6142 OH2 TIP3 50 17.458 -2.559 5.090 0.00 0.00 SOLV ATOM 6143 H1 TIP3 50 17.306 -1.757 5.671 0.00 0.00 SOLV ATOM 6144 H2 TIP3 50 18.431 -2.809 5.170 0.00 0.00 SOLV ATOM 6145 OH2 TIP3 51 17.768 -14.991 -42.540 0.00 0.00 SOLV ATOM 6146 H1 TIP3 51 18.591 -14.756 -43.107 0.00 0.00 SOLV ATOM 6147 H2 TIP3 51 17.106 -15.235 -43.266 0.00 0.00 SOLV ATOM 6148 OH2 TIP3 52 15.545 -5.487 -46.935 0.00 0.00 SOLV ATOM 6149 H1 TIP3 52 16.048 -5.941 -46.280 0.00 0.00 SOLV ATOM 6150 H2 TIP3 52 14.595 -5.681 -46.747 0.00 0.00 SOLV ATOM 6151 OH2 TIP3 53 7.398 -22.165 -36.152 0.00 0.00 SOLV ATOM 6152 H1 TIP3 53 7.075 -22.676 -35.414 0.00 0.00 SOLV ATOM 6153 H2 TIP3 53 8.266 -21.840 -35.794 0.00 0.00 SOLV ATOM 6154 OH2 TIP3 54 18.610 -7.389 -6.676 0.00 0.00 SOLV ATOM 6155 H1 TIP3 54 17.737 -7.676 -6.359 0.00 0.00 SOLV ATOM 6156 H2 TIP3 54 18.748 -6.529 -6.289 0.00 0.00 SOLV ATOM 6157 OH2 TIP3 55 16.289 -14.075 -7.128 0.00 0.00 SOLV ATOM 6158 H1 TIP3 55 16.593 -14.495 -6.275 0.00 0.00 SOLV ATOM 6159 H2 TIP3 55 15.374 -14.372 -7.311 0.00 0.00 SOLV ATOM 6160 OH2 TIP3 56 23.108 -9.436 -4.295 0.00 0.00 SOLV ATOM 6161 H1 TIP3 56 23.688 -8.751 -4.656 0.00 0.00 SOLV ATOM 6162 H2 TIP3 56 22.237 -9.150 -4.530 0.00 0.00 SOLV ATOM 6163 OH2 TIP3 57 9.790 -15.390 -13.768 0.00 0.00 SOLV ATOM 6164 H1 TIP3 57 9.533 -16.210 -14.191 0.00 0.00 SOLV ATOM 6165 H2 TIP3 57 8.982 -14.953 -13.763 0.00 0.00 SOLV ATOM 6166 OH2 TIP3 58 23.367 5.725 1.975 0.00 0.00 SOLV ATOM 6167 H1 TIP3 58 22.701 6.078 2.633 0.00 0.00 SOLV ATOM 6168 H2 TIP3 58 22.966 6.162 1.211 0.00 0.00 SOLV ATOM 6169 OH2 TIP3 59 18.512 -4.783 -5.498 0.00 0.00 SOLV ATOM 6170 H1 TIP3 59 18.082 -4.991 -4.654 0.00 0.00 SOLV ATOM 6171 H2 TIP3 59 19.270 -4.288 -5.335 0.00 0.00 SOLV ATOM 6172 OH2 TIP3 60 23.711 7.957 -47.535 0.00 0.00 SOLV ATOM 6173 H1 TIP3 60 23.297 8.157 -48.350 0.00 0.00 SOLV ATOM 6174 H2 TIP3 60 23.961 8.825 -47.226 0.00 0.00 SOLV ATOM 6175 OH2 TIP3 61 9.099 -7.714 -51.399 0.00 0.00 SOLV ATOM 6176 H1 TIP3 61 9.835 -7.147 -51.217 0.00 0.00 SOLV ATOM 6177 H2 TIP3 61 8.401 -7.432 -50.797 0.00 0.00 SOLV ATOM 6178 OH2 TIP3 62 18.395 -14.738 -34.958 0.00 0.00 SOLV ATOM 6179 H1 TIP3 62 18.248 -14.774 -35.917 0.00 0.00 SOLV ATOM 6180 H2 TIP3 62 18.128 -13.831 -34.753 0.00 0.00 SOLV ATOM 6181 OH2 TIP3 63 15.608 -2.457 -46.957 0.00 0.00 SOLV ATOM 6182 H1 TIP3 63 15.728 -3.360 -46.542 0.00 0.00 SOLV ATOM 6183 H2 TIP3 63 15.201 -2.664 -47.800 0.00 0.00 SOLV ATOM 6184 OH2 TIP3 64 14.583 -14.939 -29.608 0.00 0.00 SOLV ATOM 6185 H1 TIP3 64 14.051 -14.240 -29.227 0.00 0.00 SOLV ATOM 6186 H2 TIP3 64 14.149 -14.982 -30.483 0.00 0.00 SOLV ATOM 6187 OH2 TIP3 65 10.890 -16.199 -10.348 0.00 0.00 SOLV ATOM 6188 H1 TIP3 65 11.048 -15.424 -10.876 0.00 0.00 SOLV ATOM 6189 H2 TIP3 65 10.374 -16.840 -10.971 0.00 0.00 SOLV ATOM 6190 OH2 TIP3 66 13.477 -10.164 -0.573 0.00 0.00 SOLV ATOM 6191 H1 TIP3 66 12.866 -9.536 -0.280 0.00 0.00 SOLV ATOM 6192 H2 TIP3 66 13.483 -10.940 -0.007 0.00 0.00 SOLV ATOM 6193 OH2 TIP3 67 20.206 -5.235 6.357 0.00 0.00 SOLV ATOM 6194 H1 TIP3 67 19.654 -5.915 5.916 0.00 0.00 SOLV ATOM 6195 H2 TIP3 67 20.699 -5.717 7.027 0.00 0.00 SOLV ATOM 6196 OH2 TIP3 68 21.074 -0.519 -53.799 0.00 0.00 SOLV ATOM 6197 H1 TIP3 68 21.949 -0.822 -54.016 0.00 0.00 SOLV ATOM 6198 H2 TIP3 68 21.218 0.426 -53.853 0.00 0.00 SOLV ATOM 6199 OH2 TIP3 69 15.494 -13.772 -36.942 0.00 0.00 SOLV ATOM 6200 H1 TIP3 69 15.277 -13.400 -37.799 0.00 0.00 SOLV ATOM 6201 H2 TIP3 69 15.118 -14.638 -37.045 0.00 0.00 SOLV ATOM 6202 OH2 TIP3 70 17.195 -0.524 -46.232 0.00 0.00 SOLV ATOM 6203 H1 TIP3 70 16.857 -1.125 -46.874 0.00 0.00 SOLV ATOM 6204 H2 TIP3 70 17.279 -1.152 -45.445 0.00 0.00 SOLV ATOM 6205 OH2 TIP3 71 12.585 10.255 -10.956 0.00 0.00 SOLV ATOM 6206 H1 TIP3 71 12.295 10.491 -10.034 0.00 0.00 SOLV ATOM 6207 H2 TIP3 71 12.212 10.924 -11.530 0.00 0.00 SOLV ATOM 6208 OH2 TIP3 72 24.051 9.566 -6.482 0.00 0.00 SOLV ATOM 6209 H1 TIP3 72 24.818 8.980 -6.445 0.00 0.00 SOLV ATOM 6210 H2 TIP3 72 23.386 8.942 -6.655 0.00 0.00 SOLV ATOM 6211 OH2 TIP3 73 17.597 -14.973 -9.561 0.00 0.00 SOLV ATOM 6212 H1 TIP3 73 16.687 -15.090 -9.316 0.00 0.00 SOLV ATOM 6213 H2 TIP3 73 17.968 -14.521 -8.766 0.00 0.00 SOLV ATOM 6214 OH2 TIP3 74 23.250 11.387 -48.984 0.00 0.00 SOLV ATOM 6215 H1 TIP3 74 22.628 10.733 -48.564 0.00 0.00 SOLV ATOM 6216 H2 TIP3 74 22.674 12.183 -49.190 0.00 0.00 SOLV ATOM 6217 OH2 TIP3 75 19.476 -5.243 -37.850 0.00 0.00 SOLV ATOM 6218 H1 TIP3 75 20.408 -4.988 -37.736 0.00 0.00 SOLV ATOM 6219 H2 TIP3 75 19.162 -4.583 -38.510 0.00 0.00 SOLV ATOM 6220 OH2 TIP3 76 14.788 -13.066 -39.423 0.00 0.00 SOLV ATOM 6221 H1 TIP3 76 14.995 -12.133 -39.491 0.00 0.00 SOLV ATOM 6222 H2 TIP3 76 14.149 -13.231 -40.196 0.00 0.00 SOLV ATOM 6223 OH2 TIP3 77 12.698 4.495 -50.801 0.00 0.00 SOLV ATOM 6224 H1 TIP3 77 12.735 5.210 -51.540 0.00 0.00 SOLV ATOM 6225 H2 TIP3 77 12.994 5.119 -50.067 0.00 0.00 SOLV ATOM 6226 OH2 TIP3 78 24.598 3.618 -39.416 0.00 0.00 SOLV ATOM 6227 H1 TIP3 78 23.771 3.219 -39.700 0.00 0.00 SOLV ATOM 6228 H2 TIP3 78 25.191 3.331 -40.143 0.00 0.00 SOLV ATOM 6229 OH2 TIP3 79 -28.827 15.511 -18.369 0.00 0.00 SOLV ATOM 6230 H1 TIP3 79 -28.957 15.477 -17.426 0.00 0.00 SOLV ATOM 6231 H2 TIP3 79 -29.690 15.832 -18.738 0.00 0.00 SOLV ATOM 6232 OH2 TIP3 80 30.228 12.508 -22.987 0.00 0.00 SOLV ATOM 6233 H1 TIP3 80 29.547 12.926 -22.529 0.00 0.00 SOLV ATOM 6234 H2 TIP3 80 29.979 11.567 -23.006 0.00 0.00 SOLV ATOM 6235 OH2 TIP3 81 24.072 18.075 -34.993 0.00 0.00 SOLV ATOM 6236 H1 TIP3 81 23.492 18.408 -35.718 0.00 0.00 SOLV ATOM 6237 H2 TIP3 81 23.542 18.113 -34.185 0.00 0.00 SOLV ATOM 6238 OH2 TIP3 82 12.576 3.376 -6.482 0.00 0.00 SOLV ATOM 6239 H1 TIP3 82 12.392 2.512 -6.829 0.00 0.00 SOLV ATOM 6240 H2 TIP3 82 13.002 3.174 -5.626 0.00 0.00 SOLV ATOM 6241 OH2 TIP3 83 -29.628 8.766 1.662 0.00 0.00 SOLV ATOM 6242 H1 TIP3 83 -30.177 8.018 1.927 0.00 0.00 SOLV ATOM 6243 H2 TIP3 83 -28.753 8.632 2.072 0.00 0.00 SOLV ATOM 6244 OH2 TIP3 84 17.213 -10.485 -3.480 0.00 0.00 SOLV ATOM 6245 H1 TIP3 84 17.337 -9.546 -3.623 0.00 0.00 SOLV ATOM 6246 H2 TIP3 84 17.365 -10.869 -4.368 0.00 0.00 SOLV ATOM 6247 OH2 TIP3 85 5.175 23.743 6.206 0.00 0.00 SOLV ATOM 6248 H1 TIP3 85 4.277 23.494 6.391 0.00 0.00 SOLV ATOM 6249 H2 TIP3 85 5.078 24.598 5.796 0.00 0.00 SOLV ATOM 6250 OH2 TIP3 86 -38.595 -0.207 6.777 0.00 0.00 SOLV ATOM 6251 H1 TIP3 86 -39.151 0.408 6.270 0.00 0.00 SOLV ATOM 6252 H2 TIP3 86 -37.821 -0.308 6.229 0.00 0.00 SOLV ATOM 6253 OH2 TIP3 87 1.471 -4.280 -49.284 0.00 0.00 SOLV ATOM 6254 H1 TIP3 87 1.895 -3.649 -48.629 0.00 0.00 SOLV ATOM 6255 H2 TIP3 87 0.619 -3.896 -49.425 0.00 0.00 SOLV ATOM 6256 OH2 TIP3 88 -28.306 14.954 -23.673 0.00 0.00 SOLV ATOM 6257 H1 TIP3 88 -29.181 15.444 -23.569 0.00 0.00 SOLV ATOM 6258 H2 TIP3 88 -28.469 14.244 -23.095 0.00 0.00 SOLV ATOM 6259 OH2 TIP3 89 22.910 -17.936 -14.131 0.00 0.00 SOLV ATOM 6260 H1 TIP3 89 23.087 -17.473 -13.318 0.00 0.00 SOLV ATOM 6261 H2 TIP3 89 23.694 -18.534 -14.157 0.00 0.00 SOLV ATOM 6262 OH2 TIP3 90 21.712 3.077 -4.136 0.00 0.00 SOLV ATOM 6263 H1 TIP3 90 22.224 2.273 -4.132 0.00 0.00 SOLV ATOM 6264 H2 TIP3 90 22.300 3.645 -4.710 0.00 0.00 SOLV ATOM 6265 OH2 TIP3 91 21.435 13.982 -52.527 0.00 0.00 SOLV ATOM 6266 H1 TIP3 91 22.341 14.106 -52.423 0.00 0.00 SOLV ATOM 6267 H2 TIP3 91 21.209 13.652 -51.726 0.00 0.00 SOLV ATOM 6268 OH2 TIP3 92 18.633 16.058 -9.119 0.00 0.00 SOLV ATOM 6269 H1 TIP3 92 18.664 16.049 -10.075 0.00 0.00 SOLV ATOM 6270 H2 TIP3 92 18.375 15.152 -8.864 0.00 0.00 SOLV ATOM 6271 OH2 TIP3 93 16.803 7.707 -3.166 0.00 0.00 SOLV ATOM 6272 H1 TIP3 93 17.096 8.527 -3.722 0.00 0.00 SOLV ATOM 6273 H2 TIP3 93 17.656 7.337 -2.901 0.00 0.00 SOLV ATOM 6274 OH2 TIP3 94 -34.165 6.342 1.921 0.00 0.00 SOLV ATOM 6275 H1 TIP3 94 -33.872 7.266 2.037 0.00 0.00 SOLV ATOM 6276 H2 TIP3 94 -34.725 6.114 2.641 0.00 0.00 SOLV ATOM 6277 OH2 TIP3 95 16.131 16.063 -39.369 0.00 0.00 SOLV ATOM 6278 H1 TIP3 95 16.534 15.355 -38.852 0.00 0.00 SOLV ATOM 6279 H2 TIP3 95 15.490 15.574 -39.824 0.00 0.00 SOLV ATOM 6280 OH2 TIP3 96 16.397 11.522 4.630 0.00 0.00 SOLV ATOM 6281 H1 TIP3 96 16.660 12.449 4.555 0.00 0.00 SOLV ATOM 6282 H2 TIP3 96 15.594 11.438 4.067 0.00 0.00 SOLV ATOM 6283 OH2 TIP3 97 21.493 9.786 -47.481 0.00 0.00 SOLV ATOM 6284 H1 TIP3 97 21.254 10.171 -46.569 0.00 0.00 SOLV ATOM 6285 H2 TIP3 97 20.889 9.005 -47.594 0.00 0.00 SOLV ATOM 6286 OH2 TIP3 98 17.901 8.624 -46.785 0.00 0.00 SOLV ATOM 6287 H1 TIP3 98 18.834 8.486 -47.139 0.00 0.00 SOLV ATOM 6288 H2 TIP3 98 17.354 7.856 -47.004 0.00 0.00 SOLV ATOM 6289 OH2 TIP3 99 24.144 3.478 -5.739 0.00 0.00 SOLV ATOM 6290 H1 TIP3 99 25.094 3.227 -5.753 0.00 0.00 SOLV ATOM 6291 H2 TIP3 99 24.028 4.124 -6.482 0.00 0.00 SOLV ATOM 6292 OH2 TIP3 100 10.327 9.709 6.478 0.00 0.00 SOLV ATOM 6293 H1 TIP3 100 10.271 8.798 5.907 0.00 0.00 SOLV ATOM 6294 H2 TIP3 100 11.187 9.647 6.848 0.00 0.00 SOLV ATOM 6295 OH2 TIP3 101 -37.284 6.375 5.929 0.00 0.00 SOLV ATOM 6296 H1 TIP3 101 -37.322 6.224 6.892 0.00 0.00 SOLV ATOM 6297 H2 TIP3 101 -37.801 5.708 5.533 0.00 0.00 SOLV ATOM 6298 OH2 TIP3 102 -8.022 20.632 -24.274 0.00 0.00 SOLV ATOM 6299 H1 TIP3 102 -8.583 21.182 -24.877 0.00 0.00 SOLV ATOM 6300 H2 TIP3 102 -7.699 21.295 -23.694 0.00 0.00 SOLV ATOM 6301 OH2 TIP3 103 27.963 17.698 -14.378 0.00 0.00 SOLV ATOM 6302 H1 TIP3 103 27.906 17.465 -15.303 0.00 0.00 SOLV ATOM 6303 H2 TIP3 103 28.392 18.570 -14.431 0.00 0.00 SOLV ATOM 6304 OH2 TIP3 104 -35.614 14.849 5.891 0.00 0.00 SOLV ATOM 6305 H1 TIP3 104 -35.405 15.302 5.057 0.00 0.00 SOLV ATOM 6306 H2 TIP3 104 -36.400 15.303 6.251 0.00 0.00 SOLV ATOM 6307 OH2 TIP3 105 24.234 6.786 -54.148 0.00 0.00 SOLV ATOM 6308 H1 TIP3 105 23.867 7.085 -55.029 0.00 0.00 SOLV ATOM 6309 H2 TIP3 105 25.108 6.422 -54.254 0.00 0.00 SOLV ATOM 6310 OH2 TIP3 106 -36.105 10.119 6.323 0.00 0.00 SOLV ATOM 6311 H1 TIP3 106 -35.569 9.618 5.695 0.00 0.00 SOLV ATOM 6312 H2 TIP3 106 -36.292 10.977 5.780 0.00 0.00 SOLV ATOM 6313 OH2 TIP3 107 15.970 5.575 2.313 0.00 0.00 SOLV ATOM 6314 H1 TIP3 107 15.996 6.291 1.662 0.00 0.00 SOLV ATOM 6315 H2 TIP3 107 15.634 4.799 1.777 0.00 0.00 SOLV ATOM 6316 OH2 TIP3 108 16.513 16.361 -50.102 0.00 0.00 SOLV ATOM 6317 H1 TIP3 108 15.951 16.205 -49.323 0.00 0.00 SOLV ATOM 6318 H2 TIP3 108 17.437 16.044 -49.790 0.00 0.00 SOLV ATOM 6319 OH2 TIP3 109 -25.423 11.954 -8.015 0.00 0.00 SOLV ATOM 6320 H1 TIP3 109 -26.300 11.594 -8.211 0.00 0.00 SOLV ATOM 6321 H2 TIP3 109 -25.308 11.650 -7.082 0.00 0.00 SOLV ATOM 6322 OH2 TIP3 110 -16.864 13.988 -10.154 0.00 0.00 SOLV ATOM 6323 H1 TIP3 110 -16.769 14.891 -9.706 0.00 0.00 SOLV ATOM 6324 H2 TIP3 110 -17.779 13.712 -9.955 0.00 0.00 SOLV ATOM 6325 OH2 TIP3 111 20.046 -11.323 -28.642 0.00 0.00 SOLV ATOM 6326 H1 TIP3 111 20.053 -10.859 -29.482 0.00 0.00 SOLV ATOM 6327 H2 TIP3 111 20.540 -10.741 -28.078 0.00 0.00 SOLV ATOM 6328 OH2 TIP3 112 -34.755 11.065 3.373 0.00 0.00 SOLV ATOM 6329 H1 TIP3 112 -34.165 11.746 3.068 0.00 0.00 SOLV ATOM 6330 H2 TIP3 112 -35.476 11.599 3.890 0.00 0.00 SOLV ATOM 6331 OH2 TIP3 113 21.954 -16.222 -34.344 0.00 0.00 SOLV ATOM 6332 H1 TIP3 113 22.485 -16.984 -34.523 0.00 0.00 SOLV ATOM 6333 H2 TIP3 113 21.420 -16.196 -35.200 0.00 0.00 SOLV ATOM 6334 OH2 TIP3 114 18.002 -19.283 -42.746 0.00 0.00 SOLV ATOM 6335 H1 TIP3 114 18.688 -19.655 -42.215 0.00 0.00 SOLV ATOM 6336 H2 TIP3 114 18.456 -18.590 -43.286 0.00 0.00 SOLV ATOM 6337 OH2 TIP3 115 22.118 18.340 -33.239 0.00 0.00 SOLV ATOM 6338 H1 TIP3 115 22.362 18.334 -32.336 0.00 0.00 SOLV ATOM 6339 H2 TIP3 115 21.126 18.294 -33.185 0.00 0.00 SOLV ATOM 6340 OH2 TIP3 116 22.062 -14.112 -2.201 0.00 0.00 SOLV ATOM 6341 H1 TIP3 116 21.228 -14.599 -2.391 0.00 0.00 SOLV ATOM 6342 H2 TIP3 116 22.086 -13.464 -2.924 0.00 0.00 SOLV ATOM 6343 OH2 TIP3 117 -14.545 -16.883 1.793 0.00 0.00 SOLV ATOM 6344 H1 TIP3 117 -13.924 -16.230 2.140 0.00 0.00 SOLV ATOM 6345 H2 TIP3 117 -14.172 -17.248 1.017 0.00 0.00 SOLV ATOM 6346 OH2 TIP3 118 -17.041 -18.069 1.159 0.00 0.00 SOLV ATOM 6347 H1 TIP3 118 -16.185 -17.865 1.598 0.00 0.00 SOLV ATOM 6348 H2 TIP3 118 -17.609 -18.241 1.907 0.00 0.00 SOLV ATOM 6349 OH2 TIP3 119 16.673 -17.385 -41.021 0.00 0.00 SOLV ATOM 6350 H1 TIP3 119 16.787 -16.556 -41.444 0.00 0.00 SOLV ATOM 6351 H2 TIP3 119 17.059 -18.040 -41.625 0.00 0.00 SOLV ATOM 6352 OH2 TIP3 120 -17.876 -28.371 -12.376 0.00 0.00 SOLV ATOM 6353 H1 TIP3 120 -18.890 -28.414 -12.629 0.00 0.00 SOLV ATOM 6354 H2 TIP3 120 -17.705 -29.337 -12.171 0.00 0.00 SOLV ATOM 6355 OH2 TIP3 121 14.319 -14.217 5.562 0.00 0.00 SOLV ATOM 6356 H1 TIP3 121 13.925 -13.663 4.862 0.00 0.00 SOLV ATOM 6357 H2 TIP3 121 14.564 -13.616 6.190 0.00 0.00 SOLV ATOM 6358 OH2 TIP3 122 23.796 -20.921 -21.821 0.00 0.00 SOLV ATOM 6359 H1 TIP3 122 24.667 -20.689 -21.522 0.00 0.00 SOLV ATOM 6360 H2 TIP3 122 23.249 -20.127 -21.576 0.00 0.00 SOLV ATOM 6361 OH2 TIP3 123 21.182 13.817 -3.125 0.00 0.00 SOLV ATOM 6362 H1 TIP3 123 20.506 14.573 -3.125 0.00 0.00 SOLV ATOM 6363 H2 TIP3 123 21.802 14.101 -3.830 0.00 0.00 SOLV ATOM 6364 OH2 TIP3 124 25.884 18.448 -11.569 0.00 0.00 SOLV ATOM 6365 H1 TIP3 124 26.303 19.110 -10.948 0.00 0.00 SOLV ATOM 6366 H2 TIP3 124 26.525 17.811 -11.538 0.00 0.00 SOLV ATOM 6367 OH2 TIP3 125 21.278 -16.985 -16.338 0.00 0.00 SOLV ATOM 6368 H1 TIP3 125 21.493 -17.327 -15.485 0.00 0.00 SOLV ATOM 6369 H2 TIP3 125 20.777 -16.186 -16.094 0.00 0.00 SOLV ATOM 6370 OH2 TIP3 126 19.973 -16.675 -24.458 0.00 0.00 SOLV ATOM 6371 H1 TIP3 126 20.725 -16.698 -23.848 0.00 0.00 SOLV ATOM 6372 H2 TIP3 126 19.788 -17.630 -24.357 0.00 0.00 SOLV ATOM 6373 OH2 TIP3 127 17.088 -14.765 -1.883 0.00 0.00 SOLV ATOM 6374 H1 TIP3 127 16.713 -15.058 -1.043 0.00 0.00 SOLV ATOM 6375 H2 TIP3 127 17.986 -14.549 -1.604 0.00 0.00 SOLV ATOM 6376 OH2 TIP3 128 18.694 -6.670 -41.108 0.00 0.00 SOLV ATOM 6377 H1 TIP3 128 19.318 -7.028 -40.456 0.00 0.00 SOLV ATOM 6378 H2 TIP3 128 18.349 -5.895 -40.706 0.00 0.00 SOLV ATOM 6379 OH2 TIP3 129 13.458 -19.354 -36.298 0.00 0.00 SOLV ATOM 6380 H1 TIP3 129 13.172 -19.319 -37.209 0.00 0.00 SOLV ATOM 6381 H2 TIP3 129 13.265 -18.494 -35.860 0.00 0.00 SOLV ATOM 6382 OH2 TIP3 130 19.047 -14.774 -18.389 0.00 0.00 SOLV ATOM 6383 H1 TIP3 130 18.800 -15.121 -17.511 0.00 0.00 SOLV ATOM 6384 H2 TIP3 130 19.849 -14.294 -18.186 0.00 0.00 SOLV ATOM 6385 OH2 TIP3 131 4.812 1.228 1.235 0.00 0.00 SOLV ATOM 6386 H1 TIP3 131 4.854 2.184 0.955 0.00 0.00 SOLV ATOM 6387 H2 TIP3 131 4.588 1.281 2.193 0.00 0.00 SOLV ATOM 6388 OH2 TIP3 132 22.950 -12.829 -34.463 0.00 0.00 SOLV ATOM 6389 H1 TIP3 132 23.517 -12.654 -33.712 0.00 0.00 SOLV ATOM 6390 H2 TIP3 132 23.562 -13.146 -35.168 0.00 0.00 SOLV ATOM 6391 OH2 TIP3 133 20.722 -16.608 -36.831 0.00 0.00 SOLV ATOM 6392 H1 TIP3 133 19.853 -16.232 -37.059 0.00 0.00 SOLV ATOM 6393 H2 TIP3 133 21.276 -16.226 -37.503 0.00 0.00 SOLV ATOM 6394 OH2 TIP3 134 22.973 -16.820 -11.582 0.00 0.00 SOLV ATOM 6395 H1 TIP3 134 23.235 -16.123 -11.027 0.00 0.00 SOLV ATOM 6396 H2 TIP3 134 22.591 -17.508 -10.996 0.00 0.00 SOLV ATOM 6397 OH2 TIP3 135 23.787 3.297 3.333 0.00 0.00 SOLV ATOM 6398 H1 TIP3 135 22.931 2.949 3.607 0.00 0.00 SOLV ATOM 6399 H2 TIP3 135 23.490 3.983 2.711 0.00 0.00 SOLV ATOM 6400 OH2 TIP3 136 16.178 -17.898 -38.292 0.00 0.00 SOLV ATOM 6401 H1 TIP3 136 16.474 -17.679 -39.179 0.00 0.00 SOLV ATOM 6402 H2 TIP3 136 16.216 -18.807 -38.231 0.00 0.00 SOLV ATOM 6403 OH2 TIP3 137 21.170 2.280 -55.471 0.00 0.00 SOLV ATOM 6404 H1 TIP3 137 21.133 1.940 -56.409 0.00 0.00 SOLV ATOM 6405 H2 TIP3 137 22.098 2.428 -55.303 0.00 0.00 SOLV ATOM 6406 OH2 TIP3 138 -27.423 -14.308 -17.946 0.00 0.00 SOLV ATOM 6407 H1 TIP3 138 -27.901 -14.828 -17.284 0.00 0.00 SOLV ATOM 6408 H2 TIP3 138 -27.304 -14.905 -18.748 0.00 0.00 SOLV ATOM 6409 OH2 TIP3 139 -22.363 -13.912 -32.121 0.00 0.00 SOLV ATOM 6410 H1 TIP3 139 -22.313 -13.580 -33.019 0.00 0.00 SOLV ATOM 6411 H2 TIP3 139 -22.991 -13.284 -31.641 0.00 0.00 SOLV ATOM 6412 OH2 TIP3 140 9.010 -9.480 -29.426 0.00 0.00 SOLV ATOM 6413 H1 TIP3 140 9.876 -9.615 -29.867 0.00 0.00 SOLV ATOM 6414 H2 TIP3 140 9.177 -9.835 -28.528 0.00 0.00 SOLV ATOM 6415 OH2 TIP3 141 -22.008 -4.065 -24.654 0.00 0.00 SOLV ATOM 6416 H1 TIP3 141 -22.761 -4.434 -25.158 0.00 0.00 SOLV ATOM 6417 H2 TIP3 141 -22.033 -3.109 -25.042 0.00 0.00 SOLV ATOM 6418 OH2 TIP3 142 -24.990 -11.287 -26.797 0.00 0.00 SOLV ATOM 6419 H1 TIP3 142 -24.036 -11.475 -27.052 0.00 0.00 SOLV ATOM 6420 H2 TIP3 142 -25.293 -10.733 -27.568 0.00 0.00 SOLV ATOM 6421 OH2 TIP3 143 23.631 -14.665 -9.691 0.00 0.00 SOLV ATOM 6422 H1 TIP3 143 23.618 -14.275 -8.766 0.00 0.00 SOLV ATOM 6423 H2 TIP3 143 24.061 -13.956 -10.228 0.00 0.00 SOLV ATOM 6424 OH2 TIP3 144 11.394 -16.114 -41.691 0.00 0.00 SOLV ATOM 6425 H1 TIP3 144 10.823 -16.803 -41.265 0.00 0.00 SOLV ATOM 6426 H2 TIP3 144 12.213 -16.599 -41.825 0.00 0.00 SOLV ATOM 6427 OH2 TIP3 145 28.058 0.056 -29.502 0.00 0.00 SOLV ATOM 6428 H1 TIP3 145 28.972 0.294 -29.382 0.00 0.00 SOLV ATOM 6429 H2 TIP3 145 28.023 -0.145 -30.479 0.00 0.00 SOLV ATOM 6430 OH2 TIP3 146 23.527 -11.480 -18.387 0.00 0.00 SOLV ATOM 6431 H1 TIP3 146 24.210 -11.762 -18.941 0.00 0.00 SOLV ATOM 6432 H2 TIP3 146 23.067 -10.936 -18.955 0.00 0.00 SOLV ATOM 6433 OH2 TIP3 147 15.372 15.587 -18.453 0.00 0.00 SOLV ATOM 6434 H1 TIP3 147 15.826 15.893 -17.649 0.00 0.00 SOLV ATOM 6435 H2 TIP3 147 14.590 15.108 -18.083 0.00 0.00 SOLV ATOM 6436 OH2 TIP3 148 24.147 5.667 -7.487 0.00 0.00 SOLV ATOM 6437 H1 TIP3 148 24.327 6.443 -6.874 0.00 0.00 SOLV ATOM 6438 H2 TIP3 148 24.519 6.053 -8.345 0.00 0.00 SOLV ATOM 6439 OH2 TIP3 149 31.547 15.504 -15.388 0.00 0.00 SOLV ATOM 6440 H1 TIP3 149 32.502 15.368 -15.575 0.00 0.00 SOLV ATOM 6441 H2 TIP3 149 31.408 16.407 -15.680 0.00 0.00 SOLV ATOM 6442 OH2 TIP3 150 14.419 -6.620 -1.847 0.00 0.00 SOLV ATOM 6443 H1 TIP3 150 13.702 -6.102 -1.328 0.00 0.00 SOLV ATOM 6444 H2 TIP3 150 13.989 -7.402 -2.226 0.00 0.00 SOLV ATOM 6445 OH2 TIP3 151 -30.216 4.710 -4.371 0.00 0.00 SOLV ATOM 6446 H1 TIP3 151 -31.122 5.075 -4.300 0.00 0.00 SOLV ATOM 6447 H2 TIP3 151 -29.990 5.021 -5.247 0.00 0.00 SOLV ATOM 6448 OH2 TIP3 152 27.853 -5.071 -23.637 0.00 0.00 SOLV ATOM 6449 H1 TIP3 152 27.802 -4.945 -24.599 0.00 0.00 SOLV ATOM 6450 H2 TIP3 152 27.106 -4.521 -23.336 0.00 0.00 SOLV ATOM 6451 OH2 TIP3 153 -34.073 2.883 -2.612 0.00 0.00 SOLV ATOM 6452 H1 TIP3 153 -33.969 2.024 -3.112 0.00 0.00 SOLV ATOM 6453 H2 TIP3 153 -33.242 2.939 -2.111 0.00 0.00 SOLV ATOM 6454 OH2 TIP3 154 24.132 0.671 -52.291 0.00 0.00 SOLV ATOM 6455 H1 TIP3 154 24.465 1.065 -53.149 0.00 0.00 SOLV ATOM 6456 H2 TIP3 154 24.623 -0.144 -52.255 0.00 0.00 SOLV ATOM 6457 OH2 TIP3 155 26.809 6.985 -43.183 0.00 0.00 SOLV ATOM 6458 H1 TIP3 155 26.594 7.273 -44.084 0.00 0.00 SOLV ATOM 6459 H2 TIP3 155 26.115 6.377 -43.013 0.00 0.00 SOLV ATOM 6460 OH2 TIP3 156 -4.932 -2.906 -38.066 0.00 0.00 SOLV ATOM 6461 H1 TIP3 156 -5.704 -3.384 -37.932 0.00 0.00 SOLV ATOM 6462 H2 TIP3 156 -5.278 -2.149 -38.632 0.00 0.00 SOLV ATOM 6463 OH2 TIP3 157 -21.600 -9.584 -26.969 0.00 0.00 SOLV ATOM 6464 H1 TIP3 157 -21.618 -10.552 -26.652 0.00 0.00 SOLV ATOM 6465 H2 TIP3 157 -21.105 -9.642 -27.780 0.00 0.00 SOLV ATOM 6466 OH2 TIP3 158 -29.639 3.524 -15.179 0.00 0.00 SOLV ATOM 6467 H1 TIP3 158 -29.807 4.342 -14.762 0.00 0.00 SOLV ATOM 6468 H2 TIP3 158 -30.273 3.453 -15.945 0.00 0.00 SOLV ATOM 6469 OH2 TIP3 159 30.947 -1.275 -15.809 0.00 0.00 SOLV ATOM 6470 H1 TIP3 159 31.162 -1.617 -16.674 0.00 0.00 SOLV ATOM 6471 H2 TIP3 159 31.351 -0.351 -15.922 0.00 0.00 SOLV ATOM 6472 OH2 TIP3 160 18.845 12.738 -0.002 0.00 0.00 SOLV ATOM 6473 H1 TIP3 160 19.432 12.124 -0.511 0.00 0.00 SOLV ATOM 6474 H2 TIP3 160 18.081 12.904 -0.534 0.00 0.00 SOLV ATOM 6475 OH2 TIP3 161 -14.190 -12.406 3.375 0.00 0.00 SOLV ATOM 6476 H1 TIP3 161 -15.005 -12.510 3.910 0.00 0.00 SOLV ATOM 6477 H2 TIP3 161 -14.329 -11.555 2.967 0.00 0.00 SOLV ATOM 6478 OH2 TIP3 162 24.848 13.021 -24.601 0.00 0.00 SOLV ATOM 6479 H1 TIP3 162 24.398 13.176 -23.731 0.00 0.00 SOLV ATOM 6480 H2 TIP3 162 25.753 13.275 -24.416 0.00 0.00 SOLV ATOM 6481 OH2 TIP3 163 -6.436 -19.890 -13.106 0.00 0.00 SOLV ATOM 6482 H1 TIP3 163 -7.272 -20.419 -13.328 0.00 0.00 SOLV ATOM 6483 H2 TIP3 163 -5.818 -20.667 -12.912 0.00 0.00 SOLV ATOM 6484 OH2 TIP3 164 -38.295 2.529 2.017 0.00 0.00 SOLV ATOM 6485 H1 TIP3 164 -38.484 3.417 2.193 0.00 0.00 SOLV ATOM 6486 H2 TIP3 164 -39.061 2.023 2.418 0.00 0.00 SOLV ATOM 6487 OH2 TIP3 165 -31.115 5.844 1.602 0.00 0.00 SOLV ATOM 6488 H1 TIP3 165 -31.634 6.315 0.877 0.00 0.00 SOLV ATOM 6489 H2 TIP3 165 -31.636 4.978 1.651 0.00 0.00 SOLV ATOM 6490 OH2 TIP3 166 -31.585 0.811 0.768 0.00 0.00 SOLV ATOM 6491 H1 TIP3 166 -31.292 0.613 1.644 0.00 0.00 SOLV ATOM 6492 H2 TIP3 166 -30.794 0.597 0.217 0.00 0.00 SOLV ATOM 6493 OH2 TIP3 167 -16.412 2.224 -13.016 0.00 0.00 SOLV ATOM 6494 H1 TIP3 167 -17.340 2.438 -13.191 0.00 0.00 SOLV ATOM 6495 H2 TIP3 167 -16.486 1.297 -12.827 0.00 0.00 SOLV ATOM 6496 OH2 TIP3 168 23.735 -4.763 -42.700 0.00 0.00 SOLV ATOM 6497 H1 TIP3 168 24.416 -4.733 -42.045 0.00 0.00 SOLV ATOM 6498 H2 TIP3 168 24.218 -4.806 -43.579 0.00 0.00 SOLV ATOM 6499 OH2 TIP3 169 -20.241 -11.372 -32.044 0.00 0.00 SOLV ATOM 6500 H1 TIP3 169 -20.896 -11.853 -32.657 0.00 0.00 SOLV ATOM 6501 H2 TIP3 169 -19.722 -10.781 -32.591 0.00 0.00 SOLV ATOM 6502 OH2 TIP3 170 -19.433 0.625 -27.859 0.00 0.00 SOLV ATOM 6503 H1 TIP3 170 -20.056 0.008 -27.436 0.00 0.00 SOLV ATOM 6504 H2 TIP3 170 -19.920 0.933 -28.647 0.00 0.00 SOLV ATOM 6505 OH2 TIP3 171 14.885 -6.420 -40.252 0.00 0.00 SOLV ATOM 6506 H1 TIP3 171 15.421 -5.699 -39.891 0.00 0.00 SOLV ATOM 6507 H2 TIP3 171 14.205 -5.995 -40.791 0.00 0.00 SOLV ATOM 6508 OH2 TIP3 172 -31.186 -5.991 -5.378 0.00 0.00 SOLV ATOM 6509 H1 TIP3 172 -31.759 -6.391 -6.057 0.00 0.00 SOLV ATOM 6510 H2 TIP3 172 -31.018 -6.778 -4.811 0.00 0.00 SOLV ATOM 6511 OH2 TIP3 173 7.964 -1.277 0.236 0.00 0.00 SOLV ATOM 6512 H1 TIP3 173 8.503 -0.733 0.718 0.00 0.00 SOLV ATOM 6513 H2 TIP3 173 7.296 -0.711 -0.222 0.00 0.00 SOLV ATOM 6514 OH2 TIP3 174 -31.675 9.196 -5.125 0.00 0.00 SOLV ATOM 6515 H1 TIP3 174 -31.616 10.169 -5.362 0.00 0.00 SOLV ATOM 6516 H2 TIP3 174 -32.065 8.855 -5.970 0.00 0.00 SOLV ATOM 6517 OH2 TIP3 175 22.808 9.992 -54.064 0.00 0.00 SOLV ATOM 6518 H1 TIP3 175 21.985 10.426 -54.282 0.00 0.00 SOLV ATOM 6519 H2 TIP3 175 23.106 9.778 -54.913 0.00 0.00 SOLV ATOM 6520 OH2 TIP3 176 -21.988 0.938 -19.225 0.00 0.00 SOLV ATOM 6521 H1 TIP3 176 -21.459 0.242 -19.704 0.00 0.00 SOLV ATOM 6522 H2 TIP3 176 -21.828 0.660 -18.261 0.00 0.00 SOLV ATOM 6523 OH2 TIP3 177 -22.416 -5.136 -22.094 0.00 0.00 SOLV ATOM 6524 H1 TIP3 177 -22.287 -4.787 -22.969 0.00 0.00 SOLV ATOM 6525 H2 TIP3 177 -22.232 -6.051 -22.169 0.00 0.00 SOLV ATOM 6526 OH2 TIP3 178 -29.610 15.307 1.036 0.00 0.00 SOLV ATOM 6527 H1 TIP3 178 -29.278 16.136 0.692 0.00 0.00 SOLV ATOM 6528 H2 TIP3 178 -30.408 15.125 0.514 0.00 0.00 SOLV ATOM 6529 OH2 TIP3 179 24.008 18.144 -22.540 0.00 0.00 SOLV ATOM 6530 H1 TIP3 179 24.811 18.400 -23.053 0.00 0.00 SOLV ATOM 6531 H2 TIP3 179 23.860 17.245 -22.850 0.00 0.00 SOLV ATOM 6532 OH2 TIP3 180 -35.198 4.922 4.133 0.00 0.00 SOLV ATOM 6533 H1 TIP3 180 -35.701 4.076 4.118 0.00 0.00 SOLV ATOM 6534 H2 TIP3 180 -34.549 4.769 4.858 0.00 0.00 SOLV ATOM 6535 OH2 TIP3 181 -23.911 -0.921 -9.900 0.00 0.00 SOLV ATOM 6536 H1 TIP3 181 -24.494 -0.748 -9.105 0.00 0.00 SOLV ATOM 6537 H2 TIP3 181 -23.138 -1.236 -9.479 0.00 0.00 SOLV ATOM 6538 OH2 TIP3 182 18.142 13.507 -7.970 0.00 0.00 SOLV ATOM 6539 H1 TIP3 182 18.768 12.812 -7.721 0.00 0.00 SOLV ATOM 6540 H2 TIP3 182 17.522 13.538 -7.259 0.00 0.00 SOLV ATOM 6541 OH2 TIP3 183 21.475 10.160 5.000 0.00 0.00 SOLV ATOM 6542 H1 TIP3 183 21.613 10.912 4.434 0.00 0.00 SOLV ATOM 6543 H2 TIP3 183 20.556 9.997 4.794 0.00 0.00 SOLV ATOM 6544 OH2 TIP3 184 -33.517 5.180 -4.212 0.00 0.00 SOLV ATOM 6545 H1 TIP3 184 -33.633 4.786 -5.070 0.00 0.00 SOLV ATOM 6546 H2 TIP3 184 -33.550 4.414 -3.656 0.00 0.00 SOLV ATOM 6547 OH2 TIP3 185 19.608 8.430 8.855 0.00 0.00 SOLV ATOM 6548 H1 TIP3 185 19.384 8.494 9.798 0.00 0.00 SOLV ATOM 6549 H2 TIP3 185 18.736 8.544 8.434 0.00 0.00 SOLV ATOM 6550 OH2 TIP3 186 -26.493 15.074 1.154 0.00 0.00 SOLV ATOM 6551 H1 TIP3 186 -26.214 15.639 1.874 0.00 0.00 SOLV ATOM 6552 H2 TIP3 186 -27.449 14.904 1.338 0.00 0.00 SOLV ATOM 6553 OH2 TIP3 187 23.961 -5.854 -17.657 0.00 0.00 SOLV ATOM 6554 H1 TIP3 187 23.485 -6.547 -18.115 0.00 0.00 SOLV ATOM 6555 H2 TIP3 187 24.246 -6.296 -16.836 0.00 0.00 SOLV ATOM 6556 OH2 TIP3 188 14.486 16.041 -43.104 0.00 0.00 SOLV ATOM 6557 H1 TIP3 188 13.539 15.983 -43.167 0.00 0.00 SOLV ATOM 6558 H2 TIP3 188 14.723 15.618 -42.286 0.00 0.00 SOLV ATOM 6559 OH2 TIP3 189 25.809 4.941 -10.781 0.00 0.00 SOLV ATOM 6560 H1 TIP3 189 26.507 4.226 -10.972 0.00 0.00 SOLV ATOM 6561 H2 TIP3 189 26.310 5.756 -10.857 0.00 0.00 SOLV ATOM 6562 OH2 TIP3 190 17.738 6.153 13.725 0.00 0.00 SOLV ATOM 6563 H1 TIP3 190 17.972 6.824 14.365 0.00 0.00 SOLV ATOM 6564 H2 TIP3 190 18.155 5.335 14.113 0.00 0.00 SOLV ATOM 6565 OH2 TIP3 191 -28.010 13.848 -10.626 0.00 0.00 SOLV ATOM 6566 H1 TIP3 191 -27.254 13.878 -10.090 0.00 0.00 SOLV ATOM 6567 H2 TIP3 191 -27.662 13.769 -11.495 0.00 0.00 SOLV ATOM 6568 OH2 TIP3 192 -28.159 1.944 -7.681 0.00 0.00 SOLV ATOM 6569 H1 TIP3 192 -28.322 0.970 -7.646 0.00 0.00 SOLV ATOM 6570 H2 TIP3 192 -27.948 2.019 -8.632 0.00 0.00 SOLV ATOM 6571 OH2 TIP3 193 23.224 12.617 -9.076 0.00 0.00 SOLV ATOM 6572 H1 TIP3 193 22.257 12.529 -8.892 0.00 0.00 SOLV ATOM 6573 H2 TIP3 193 23.453 13.576 -8.891 0.00 0.00 SOLV ATOM 6574 OH2 TIP3 194 -31.885 15.371 3.263 0.00 0.00 SOLV ATOM 6575 H1 TIP3 194 -31.645 15.631 4.182 0.00 0.00 SOLV ATOM 6576 H2 TIP3 194 -31.398 15.913 2.671 0.00 0.00 SOLV ATOM 6577 OH2 TIP3 195 -26.179 8.583 -24.933 0.00 0.00 SOLV ATOM 6578 H1 TIP3 195 -25.995 8.488 -25.885 0.00 0.00 SOLV ATOM 6579 H2 TIP3 195 -26.999 7.997 -24.843 0.00 0.00 SOLV ATOM 6580 OH2 TIP3 196 -27.752 9.602 -21.682 0.00 0.00 SOLV ATOM 6581 H1 TIP3 196 -28.389 9.972 -21.013 0.00 0.00 SOLV ATOM 6582 H2 TIP3 196 -26.885 10.127 -21.578 0.00 0.00 SOLV ATOM 6583 OH2 TIP3 197 -30.174 12.174 -11.985 0.00 0.00 SOLV ATOM 6584 H1 TIP3 197 -29.728 12.867 -11.420 0.00 0.00 SOLV ATOM 6585 H2 TIP3 197 -31.112 12.286 -11.756 0.00 0.00 SOLV ATOM 6586 OH2 TIP3 198 23.636 9.157 -1.574 0.00 0.00 SOLV ATOM 6587 H1 TIP3 198 24.351 8.543 -1.634 0.00 0.00 SOLV ATOM 6588 H2 TIP3 198 24.024 9.990 -1.873 0.00 0.00 SOLV ATOM 6589 OH2 TIP3 199 -37.996 7.407 3.233 0.00 0.00 SOLV ATOM 6590 H1 TIP3 199 -38.345 6.736 2.692 0.00 0.00 SOLV ATOM 6591 H2 TIP3 199 -37.638 6.897 3.952 0.00 0.00 SOLV ATOM 6592 OH2 TIP3 200 -31.758 12.974 -8.061 0.00 0.00 SOLV ATOM 6593 H1 TIP3 200 -30.825 13.246 -8.122 0.00 0.00 SOLV ATOM 6594 H2 TIP3 200 -32.076 13.046 -8.968 0.00 0.00 SOLV ATOM 6595 OH2 TIP3 201 -35.909 8.755 2.117 0.00 0.00 SOLV ATOM 6596 H1 TIP3 201 -35.909 9.563 2.648 0.00 0.00 SOLV ATOM 6597 H2 TIP3 201 -36.439 8.159 2.677 0.00 0.00 SOLV ATOM 6598 OH2 TIP3 202 -28.952 16.108 -2.339 0.00 0.00 SOLV ATOM 6599 H1 TIP3 202 -28.171 16.071 -2.864 0.00 0.00 SOLV ATOM 6600 H2 TIP3 202 -28.969 17.028 -1.984 0.00 0.00 SOLV ATOM 6601 OH2 TIP3 203 -11.124 -3.153 -4.577 0.00 0.00 SOLV ATOM 6602 H1 TIP3 203 -11.157 -2.402 -5.163 0.00 0.00 SOLV ATOM 6603 H2 TIP3 203 -10.174 -3.217 -4.403 0.00 0.00 SOLV ATOM 6604 OH2 TIP3 204 -35.598 2.208 1.904 0.00 0.00 SOLV ATOM 6605 H1 TIP3 204 -36.603 2.242 1.757 0.00 0.00 SOLV ATOM 6606 H2 TIP3 204 -35.282 3.038 1.612 0.00 0.00 SOLV ATOM 6607 OH2 TIP3 205 -28.869 9.097 -1.321 0.00 0.00 SOLV ATOM 6608 H1 TIP3 205 -27.976 9.388 -1.056 0.00 0.00 SOLV ATOM 6609 H2 TIP3 205 -29.246 8.796 -0.500 0.00 0.00 SOLV ATOM 6610 OH2 TIP3 206 23.936 6.631 -4.112 0.00 0.00 SOLV ATOM 6611 H1 TIP3 206 23.866 5.689 -4.010 0.00 0.00 SOLV ATOM 6612 H2 TIP3 206 24.884 6.746 -3.826 0.00 0.00 SOLV ATOM 6613 OH2 TIP3 207 20.547 -15.167 -13.021 0.00 0.00 SOLV ATOM 6614 H1 TIP3 207 20.165 -15.318 -12.152 0.00 0.00 SOLV ATOM 6615 H2 TIP3 207 21.478 -15.379 -12.797 0.00 0.00 SOLV ATOM 6616 OH2 TIP3 208 6.839 -22.158 -31.930 0.00 0.00 SOLV ATOM 6617 H1 TIP3 208 7.207 -21.312 -32.189 0.00 0.00 SOLV ATOM 6618 H2 TIP3 208 6.257 -21.908 -31.274 0.00 0.00 SOLV ATOM 6619 OH2 TIP3 209 21.912 -14.177 -17.594 0.00 0.00 SOLV ATOM 6620 H1 TIP3 209 22.109 -14.507 -16.650 0.00 0.00 SOLV ATOM 6621 H2 TIP3 209 22.011 -13.217 -17.478 0.00 0.00 SOLV ATOM 6622 OH2 TIP3 210 20.106 -14.035 -28.654 0.00 0.00 SOLV ATOM 6623 H1 TIP3 210 20.800 -14.179 -29.275 0.00 0.00 SOLV ATOM 6624 H2 TIP3 210 19.826 -13.109 -28.805 0.00 0.00 SOLV ATOM 6625 OH2 TIP3 211 -12.353 -21.446 3.998 0.00 0.00 SOLV ATOM 6626 H1 TIP3 211 -12.673 -22.255 4.309 0.00 0.00 SOLV ATOM 6627 H2 TIP3 211 -12.677 -20.875 4.649 0.00 0.00 SOLV ATOM 6628 OH2 TIP3 212 -21.599 -12.139 -34.152 0.00 0.00 SOLV ATOM 6629 H1 TIP3 212 -21.612 -11.167 -34.349 0.00 0.00 SOLV ATOM 6630 H2 TIP3 212 -22.025 -12.546 -34.974 0.00 0.00 SOLV ATOM 6631 OH2 TIP3 213 -25.502 -22.689 -20.284 0.00 0.00 SOLV ATOM 6632 H1 TIP3 213 -25.891 -21.854 -20.317 0.00 0.00 SOLV ATOM 6633 H2 TIP3 213 -25.551 -23.025 -21.166 0.00 0.00 SOLV ATOM 6634 OH2 TIP3 214 -24.665 -10.760 -19.146 0.00 0.00 SOLV ATOM 6635 H1 TIP3 214 -24.807 -11.593 -18.625 0.00 0.00 SOLV ATOM 6636 H2 TIP3 214 -25.496 -10.472 -19.487 0.00 0.00 SOLV ATOM 6637 OH2 TIP3 215 -10.508 -20.545 8.143 0.00 0.00 SOLV ATOM 6638 H1 TIP3 215 -11.181 -20.648 7.416 0.00 0.00 SOLV ATOM 6639 H2 TIP3 215 -10.887 -21.155 8.876 0.00 0.00 SOLV ATOM 6640 OH2 TIP3 216 -17.347 -23.528 -27.725 0.00 0.00 SOLV ATOM 6641 H1 TIP3 216 -18.184 -23.058 -27.438 0.00 0.00 SOLV ATOM 6642 H2 TIP3 216 -17.745 -24.157 -28.300 0.00 0.00 SOLV ATOM 6643 OH2 TIP3 217 -21.176 -25.138 -20.112 0.00 0.00 SOLV ATOM 6644 H1 TIP3 217 -20.602 -25.783 -20.616 0.00 0.00 SOLV ATOM 6645 H2 TIP3 217 -20.477 -24.745 -19.570 0.00 0.00 SOLV ATOM 6646 OH2 TIP3 218 -19.859 -25.192 -6.688 0.00 0.00 SOLV ATOM 6647 H1 TIP3 218 -18.966 -24.831 -6.966 0.00 0.00 SOLV ATOM 6648 H2 TIP3 218 -20.443 -24.435 -6.894 0.00 0.00 SOLV ATOM 6649 OH2 TIP3 219 22.739 -12.188 -3.919 0.00 0.00 SOLV ATOM 6650 H1 TIP3 219 23.240 -11.328 -3.885 0.00 0.00 SOLV ATOM 6651 H2 TIP3 219 21.913 -11.958 -4.414 0.00 0.00 SOLV ATOM 6652 OH2 TIP3 220 -31.368 -13.228 4.777 0.00 0.00 SOLV ATOM 6653 H1 TIP3 220 -31.408 -14.041 4.365 0.00 0.00 SOLV ATOM 6654 H2 TIP3 220 -32.304 -12.980 4.837 0.00 0.00 SOLV ATOM 6655 OH2 TIP3 221 16.000 -15.816 -21.922 0.00 0.00 SOLV ATOM 6656 H1 TIP3 221 15.839 -16.754 -21.709 0.00 0.00 SOLV ATOM 6657 H2 TIP3 221 16.297 -15.493 -21.031 0.00 0.00 SOLV ATOM 6658 OH2 TIP3 222 -31.594 -7.380 -1.070 0.00 0.00 SOLV ATOM 6659 H1 TIP3 222 -32.469 -7.662 -0.732 0.00 0.00 SOLV ATOM 6660 H2 TIP3 222 -31.270 -8.221 -1.436 0.00 0.00 SOLV ATOM 6661 OH2 TIP3 223 -29.648 -11.993 -0.675 0.00 0.00 SOLV ATOM 6662 H1 TIP3 223 -30.026 -11.307 -1.225 0.00 0.00 SOLV ATOM 6663 H2 TIP3 223 -30.423 -12.469 -0.242 0.00 0.00 SOLV ATOM 6664 OH2 TIP3 224 -15.653 -5.612 -45.030 0.00 0.00 SOLV ATOM 6665 H1 TIP3 224 -15.252 -6.518 -45.049 0.00 0.00 SOLV ATOM 6666 H2 TIP3 224 -16.561 -5.870 -45.111 0.00 0.00 SOLV ATOM 6667 OH2 TIP3 225 -27.395 -3.755 -5.648 0.00 0.00 SOLV ATOM 6668 H1 TIP3 225 -27.866 -3.232 -6.293 0.00 0.00 SOLV ATOM 6669 H2 TIP3 225 -28.099 -3.914 -4.961 0.00 0.00 SOLV ATOM 6670 OH2 TIP3 226 -23.604 -8.680 -30.082 0.00 0.00 SOLV ATOM 6671 H1 TIP3 226 -23.572 -7.985 -29.446 0.00 0.00 SOLV ATOM 6672 H2 TIP3 226 -22.717 -8.968 -30.094 0.00 0.00 SOLV ATOM 6673 OH2 TIP3 227 12.669 -22.145 -26.161 0.00 0.00 SOLV ATOM 6674 H1 TIP3 227 12.737 -23.075 -26.407 0.00 0.00 SOLV ATOM 6675 H2 TIP3 227 11.753 -22.023 -25.805 0.00 0.00 SOLV ATOM 6676 OH2 TIP3 228 -1.526 -12.877 -22.022 0.00 0.00 SOLV ATOM 6677 H1 TIP3 228 -0.648 -13.145 -22.404 0.00 0.00 SOLV ATOM 6678 H2 TIP3 228 -1.360 -11.923 -21.730 0.00 0.00 SOLV ATOM 6679 OH2 TIP3 229 -18.713 -8.981 -20.527 0.00 0.00 SOLV ATOM 6680 H1 TIP3 229 -18.217 -8.179 -20.446 0.00 0.00 SOLV ATOM 6681 H2 TIP3 229 -18.923 -9.173 -19.643 0.00 0.00 SOLV ATOM 6682 OH2 TIP3 230 -25.139 -15.217 -4.270 0.00 0.00 SOLV ATOM 6683 H1 TIP3 230 -24.963 -15.217 -5.214 0.00 0.00 SOLV ATOM 6684 H2 TIP3 230 -24.291 -15.106 -3.884 0.00 0.00 SOLV ATOM 6685 OH2 TIP3 231 -28.822 -14.387 6.183 0.00 0.00 SOLV ATOM 6686 H1 TIP3 231 -29.744 -14.181 6.465 0.00 0.00 SOLV ATOM 6687 H2 TIP3 231 -28.581 -13.575 5.723 0.00 0.00 SOLV ATOM 6688 OH2 TIP3 232 -21.846 -5.420 -32.283 0.00 0.00 SOLV ATOM 6689 H1 TIP3 232 -21.663 -6.261 -32.811 0.00 0.00 SOLV ATOM 6690 H2 TIP3 232 -21.289 -4.730 -32.673 0.00 0.00 SOLV ATOM 6691 OH2 TIP3 233 -18.357 -19.049 -25.435 0.00 0.00 SOLV ATOM 6692 H1 TIP3 233 -19.201 -19.507 -25.486 0.00 0.00 SOLV ATOM 6693 H2 TIP3 233 -17.775 -19.834 -25.172 0.00 0.00 SOLV ATOM 6694 OH2 TIP3 234 17.287 -12.464 -35.347 0.00 0.00 SOLV ATOM 6695 H1 TIP3 234 17.676 -11.988 -36.072 0.00 0.00 SOLV ATOM 6696 H2 TIP3 234 16.641 -13.022 -35.822 0.00 0.00 SOLV ATOM 6697 OH2 TIP3 235 22.649 -6.300 -23.364 0.00 0.00 SOLV ATOM 6698 H1 TIP3 235 21.955 -6.229 -22.666 0.00 0.00 SOLV ATOM 6699 H2 TIP3 235 22.322 -5.912 -24.193 0.00 0.00 SOLV ATOM 6700 OH2 TIP3 236 -20.112 -6.758 -17.458 0.00 0.00 SOLV ATOM 6701 H1 TIP3 236 -19.485 -6.388 -18.156 0.00 0.00 SOLV ATOM 6702 H2 TIP3 236 -19.468 -7.182 -16.841 0.00 0.00 SOLV ATOM 6703 OH2 TIP3 237 21.481 -5.222 -3.036 0.00 0.00 SOLV ATOM 6704 H1 TIP3 237 20.878 -4.463 -2.807 0.00 0.00 SOLV ATOM 6705 H2 TIP3 237 21.014 -5.951 -2.639 0.00 0.00 SOLV ATOM 6706 OH2 TIP3 238 -24.058 -11.212 2.575 0.00 0.00 SOLV ATOM 6707 H1 TIP3 238 -23.403 -10.471 2.619 0.00 0.00 SOLV ATOM 6708 H2 TIP3 238 -24.381 -11.149 1.614 0.00 0.00 SOLV ATOM 6709 OH2 TIP3 239 9.170 11.229 -45.634 0.00 0.00 SOLV ATOM 6710 H1 TIP3 239 9.978 10.998 -45.219 0.00 0.00 SOLV ATOM 6711 H2 TIP3 239 9.371 12.101 -46.008 0.00 0.00 SOLV ATOM 6712 OH2 TIP3 240 21.113 -20.227 -27.412 0.00 0.00 SOLV ATOM 6713 H1 TIP3 240 20.660 -21.012 -27.106 0.00 0.00 SOLV ATOM 6714 H2 TIP3 240 21.168 -19.712 -26.589 0.00 0.00 SOLV ATOM 6715 OH2 TIP3 241 -22.561 -0.352 -21.657 0.00 0.00 SOLV ATOM 6716 H1 TIP3 241 -22.782 -1.274 -21.660 0.00 0.00 SOLV ATOM 6717 H2 TIP3 241 -22.767 0.004 -20.733 0.00 0.00 SOLV ATOM 6718 OH2 TIP3 242 -24.761 -12.370 -2.841 0.00 0.00 SOLV ATOM 6719 H1 TIP3 242 -25.115 -12.653 -3.752 0.00 0.00 SOLV ATOM 6720 H2 TIP3 242 -24.883 -13.188 -2.367 0.00 0.00 SOLV ATOM 6721 OH2 TIP3 243 -24.435 -10.943 -0.414 0.00 0.00 SOLV ATOM 6722 H1 TIP3 243 -24.312 -10.062 -0.802 0.00 0.00 SOLV ATOM 6723 H2 TIP3 243 -24.275 -11.532 -1.199 0.00 0.00 SOLV ATOM 6724 OH2 TIP3 244 -25.406 -6.581 2.582 0.00 0.00 SOLV ATOM 6725 H1 TIP3 244 -24.497 -6.242 2.643 0.00 0.00 SOLV ATOM 6726 H2 TIP3 244 -25.327 -7.476 2.837 0.00 0.00 SOLV ATOM 6727 OH2 TIP3 245 20.276 -11.340 -5.756 0.00 0.00 SOLV ATOM 6728 H1 TIP3 245 19.984 -10.763 -5.048 0.00 0.00 SOLV ATOM 6729 H2 TIP3 245 20.823 -10.871 -6.375 0.00 0.00 SOLV ATOM 6730 OH2 TIP3 246 10.289 -12.339 -9.389 0.00 0.00 SOLV ATOM 6731 H1 TIP3 246 11.236 -12.400 -9.556 0.00 0.00 SOLV ATOM 6732 H2 TIP3 246 10.209 -11.400 -9.055 0.00 0.00 SOLV ATOM 6733 OH2 TIP3 247 -29.700 -6.989 1.524 0.00 0.00 SOLV ATOM 6734 H1 TIP3 247 -30.337 -6.419 1.199 0.00 0.00 SOLV ATOM 6735 H2 TIP3 247 -29.840 -7.888 1.051 0.00 0.00 SOLV ATOM 6736 OH2 TIP3 248 -16.030 -2.555 -45.844 0.00 0.00 SOLV ATOM 6737 H1 TIP3 248 -16.290 -2.206 -45.036 0.00 0.00 SOLV ATOM 6738 H2 TIP3 248 -16.182 -3.549 -45.737 0.00 0.00 SOLV ATOM 6739 OH2 TIP3 249 23.298 3.286 -50.584 0.00 0.00 SOLV ATOM 6740 H1 TIP3 249 23.558 3.766 -51.321 0.00 0.00 SOLV ATOM 6741 H2 TIP3 249 23.566 2.406 -50.847 0.00 0.00 SOLV ATOM 6742 OH2 TIP3 250 -18.717 -9.688 -17.772 0.00 0.00 SOLV ATOM 6743 H1 TIP3 250 -18.459 -10.571 -17.454 0.00 0.00 SOLV ATOM 6744 H2 TIP3 250 -19.249 -9.288 -17.060 0.00 0.00 SOLV ATOM 6745 OH2 TIP3 251 19.508 -14.388 -25.580 0.00 0.00 SOLV ATOM 6746 H1 TIP3 251 19.979 -14.327 -26.451 0.00 0.00 SOLV ATOM 6747 H2 TIP3 251 19.509 -15.325 -25.407 0.00 0.00 SOLV ATOM 6748 OH2 TIP3 252 13.657 -19.297 -16.537 0.00 0.00 SOLV ATOM 6749 H1 TIP3 252 14.247 -19.845 -17.109 0.00 0.00 SOLV ATOM 6750 H2 TIP3 252 13.137 -18.744 -17.139 0.00 0.00 SOLV ATOM 6751 OH2 TIP3 253 -24.566 -12.508 -5.573 0.00 0.00 SOLV ATOM 6752 H1 TIP3 253 -24.544 -11.732 -6.224 0.00 0.00 SOLV ATOM 6753 H2 TIP3 253 -25.238 -13.150 -5.993 0.00 0.00 SOLV ATOM 6754 OH2 TIP3 254 -19.832 -10.763 -8.091 0.00 0.00 SOLV ATOM 6755 H1 TIP3 254 -20.739 -11.125 -8.224 0.00 0.00 SOLV ATOM 6756 H2 TIP3 254 -19.755 -10.290 -8.933 0.00 0.00 SOLV ATOM 6757 OH2 TIP3 255 22.919 -2.853 -1.585 0.00 0.00 SOLV ATOM 6758 H1 TIP3 255 22.180 -2.167 -1.375 0.00 0.00 SOLV ATOM 6759 H2 TIP3 255 23.067 -2.680 -2.485 0.00 0.00 SOLV ATOM 6760 OH2 TIP3 256 -31.742 -4.014 4.675 0.00 0.00 SOLV ATOM 6761 H1 TIP3 256 -32.501 -4.562 4.349 0.00 0.00 SOLV ATOM 6762 H2 TIP3 256 -31.898 -3.177 4.230 0.00 0.00 SOLV ATOM 6763 OH2 TIP3 257 23.794 -8.846 -47.372 0.00 0.00 SOLV ATOM 6764 H1 TIP3 257 24.042 -9.060 -46.480 0.00 0.00 SOLV ATOM 6765 H2 TIP3 257 23.940 -9.657 -47.879 0.00 0.00 SOLV ATOM 6766 OH2 TIP3 258 20.914 -12.316 -37.629 0.00 0.00 SOLV ATOM 6767 H1 TIP3 258 20.016 -12.221 -38.020 0.00 0.00 SOLV ATOM 6768 H2 TIP3 258 20.760 -11.879 -36.748 0.00 0.00 SOLV ATOM 6769 OH2 TIP3 259 -20.521 -3.641 -39.042 0.00 0.00 SOLV ATOM 6770 H1 TIP3 259 -20.061 -4.170 -39.726 0.00 0.00 SOLV ATOM 6771 H2 TIP3 259 -19.813 -3.571 -38.318 0.00 0.00 SOLV ATOM 6772 OH2 TIP3 260 -22.529 5.420 -24.962 0.00 0.00 SOLV ATOM 6773 H1 TIP3 260 -22.298 5.930 -25.747 0.00 0.00 SOLV ATOM 6774 H2 TIP3 260 -23.184 6.028 -24.565 0.00 0.00 SOLV ATOM 6775 OH2 TIP3 261 -27.908 11.037 -9.426 0.00 0.00 SOLV ATOM 6776 H1 TIP3 261 -28.361 11.590 -8.738 0.00 0.00 SOLV ATOM 6777 H2 TIP3 261 -27.528 11.647 -10.042 0.00 0.00 SOLV ATOM 6778 OH2 TIP3 262 -22.004 -3.309 -11.922 0.00 0.00 SOLV ATOM 6779 H1 TIP3 262 -21.116 -2.975 -11.761 0.00 0.00 SOLV ATOM 6780 H2 TIP3 262 -22.254 -3.597 -11.012 0.00 0.00 SOLV ATOM 6781 OH2 TIP3 263 16.204 -4.899 -9.887 0.00 0.00 SOLV ATOM 6782 H1 TIP3 263 15.982 -4.318 -9.140 0.00 0.00 SOLV ATOM 6783 H2 TIP3 263 16.233 -4.321 -10.702 0.00 0.00 SOLV ATOM 6784 OH2 TIP3 264 21.413 2.141 -0.368 0.00 0.00 SOLV ATOM 6785 H1 TIP3 264 22.368 2.278 0.025 0.00 0.00 SOLV ATOM 6786 H2 TIP3 264 20.836 2.083 0.362 0.00 0.00 SOLV ATOM 6787 OH2 TIP3 265 -30.845 -9.734 0.898 0.00 0.00 SOLV ATOM 6788 H1 TIP3 265 -30.462 -10.469 1.368 0.00 0.00 SOLV ATOM 6789 H2 TIP3 265 -31.200 -10.129 0.047 0.00 0.00 SOLV ATOM 6790 OH2 TIP3 266 -22.168 -2.771 29.233 0.00 0.00 SOLV ATOM 6791 H1 TIP3 266 -21.418 -3.249 29.507 0.00 0.00 SOLV ATOM 6792 H2 TIP3 266 -21.745 -1.885 29.077 0.00 0.00 SOLV ATOM 6793 OH2 TIP3 267 -31.918 3.986 -0.930 0.00 0.00 SOLV ATOM 6794 H1 TIP3 267 -32.206 4.902 -0.946 0.00 0.00 SOLV ATOM 6795 H2 TIP3 267 -31.044 3.882 -0.425 0.00 0.00 SOLV ATOM 6796 OH2 TIP3 268 20.061 15.904 -54.084 0.00 0.00 SOLV ATOM 6797 H1 TIP3 268 20.466 15.390 -53.378 0.00 0.00 SOLV ATOM 6798 H2 TIP3 268 20.218 16.818 -53.846 0.00 0.00 SOLV ATOM 6799 OH2 TIP3 269 -33.347 0.174 6.550 0.00 0.00 SOLV ATOM 6800 H1 TIP3 269 -33.052 -0.497 7.151 0.00 0.00 SOLV ATOM 6801 H2 TIP3 269 -34.274 -0.114 6.427 0.00 0.00 SOLV ATOM 6802 OH2 TIP3 270 -24.387 8.812 -13.905 0.00 0.00 SOLV ATOM 6803 H1 TIP3 270 -25.356 8.785 -13.823 0.00 0.00 SOLV ATOM 6804 H2 TIP3 270 -24.221 9.154 -14.812 0.00 0.00 SOLV ATOM 6805 OH2 TIP3 271 22.479 11.362 -5.111 0.00 0.00 SOLV ATOM 6806 H1 TIP3 271 22.839 12.255 -5.252 0.00 0.00 SOLV ATOM 6807 H2 TIP3 271 23.191 10.711 -5.417 0.00 0.00 SOLV ATOM 6808 OH2 TIP3 272 -27.698 8.134 -7.860 0.00 0.00 SOLV ATOM 6809 H1 TIP3 272 -26.996 8.462 -7.281 0.00 0.00 SOLV ATOM 6810 H2 TIP3 272 -27.662 8.824 -8.494 0.00 0.00 SOLV ATOM 6811 OH2 TIP3 273 -23.892 -4.685 0.306 0.00 0.00 SOLV ATOM 6812 H1 TIP3 273 -23.564 -4.793 1.231 0.00 0.00 SOLV ATOM 6813 H2 TIP3 273 -24.088 -5.543 -0.070 0.00 0.00 SOLV ATOM 6814 OH2 TIP3 274 23.276 14.454 6.055 0.00 0.00 SOLV ATOM 6815 H1 TIP3 274 22.780 15.281 6.006 0.00 0.00 SOLV ATOM 6816 H2 TIP3 274 24.121 14.762 6.365 0.00 0.00 SOLV ATOM 6817 OH2 TIP3 275 -32.818 9.206 2.261 0.00 0.00 SOLV ATOM 6818 H1 TIP3 275 -33.184 9.540 1.354 0.00 0.00 SOLV ATOM 6819 H2 TIP3 275 -33.530 9.353 2.848 0.00 0.00 SOLV ATOM 6820 OH2 TIP3 276 -34.965 2.464 6.405 0.00 0.00 SOLV ATOM 6821 H1 TIP3 276 -35.565 2.274 7.227 0.00 0.00 SOLV ATOM 6822 H2 TIP3 276 -34.257 1.751 6.476 0.00 0.00 SOLV ATOM 6823 OH2 TIP3 277 7.946 -10.545 -31.913 0.00 0.00 SOLV ATOM 6824 H1 TIP3 277 8.172 -10.318 -30.997 0.00 0.00 SOLV ATOM 6825 H2 TIP3 277 7.178 -9.964 -32.052 0.00 0.00 SOLV ATOM 6826 OH2 TIP3 278 9.200 2.664 -20.013 0.00 0.00 SOLV ATOM 6827 H1 TIP3 278 8.700 1.799 -19.863 0.00 0.00 SOLV ATOM 6828 H2 TIP3 278 9.997 2.351 -20.456 0.00 0.00 SOLV ATOM 6829 OH2 TIP3 279 -30.492 9.051 5.854 0.00 0.00 SOLV ATOM 6830 H1 TIP3 279 -31.112 9.811 5.546 0.00 0.00 SOLV ATOM 6831 H2 TIP3 279 -31.045 8.219 5.593 0.00 0.00 SOLV ATOM 6832 OH2 TIP3 280 23.406 13.004 1.728 0.00 0.00 SOLV ATOM 6833 H1 TIP3 280 22.912 12.986 0.878 0.00 0.00 SOLV ATOM 6834 H2 TIP3 280 23.921 13.876 1.684 0.00 0.00 SOLV ATOM 6835 OH2 TIP3 281 -19.846 7.724 -29.677 0.00 0.00 SOLV ATOM 6836 H1 TIP3 281 -18.977 7.359 -29.527 0.00 0.00 SOLV ATOM 6837 H2 TIP3 281 -20.084 7.300 -30.508 0.00 0.00 SOLV ATOM 6838 OH2 TIP3 282 -20.052 8.994 -26.957 0.00 0.00 SOLV ATOM 6839 H1 TIP3 282 -19.712 9.734 -27.408 0.00 0.00 SOLV ATOM 6840 H2 TIP3 282 -19.460 8.334 -27.194 0.00 0.00 SOLV ATOM 6841 OH2 TIP3 283 -24.933 6.594 3.066 0.00 0.00 SOLV ATOM 6842 H1 TIP3 283 -25.053 5.719 2.573 0.00 0.00 SOLV ATOM 6843 H2 TIP3 283 -25.811 7.017 3.067 0.00 0.00 SOLV ATOM 6844 OH2 TIP3 284 20.117 11.388 -3.560 0.00 0.00 SOLV ATOM 6845 H1 TIP3 284 20.970 11.161 -4.047 0.00 0.00 SOLV ATOM 6846 H2 TIP3 284 20.300 12.330 -3.199 0.00 0.00 SOLV ATOM 6847 OH2 TIP3 285 14.631 20.576 -35.947 0.00 0.00 SOLV ATOM 6848 H1 TIP3 285 14.205 20.497 -36.879 0.00 0.00 SOLV ATOM 6849 H2 TIP3 285 14.129 19.994 -35.457 0.00 0.00 SOLV ATOM 6850 OH2 TIP3 286 -27.139 5.618 -9.807 0.00 0.00 SOLV ATOM 6851 H1 TIP3 286 -27.616 6.088 -9.082 0.00 0.00 SOLV ATOM 6852 H2 TIP3 286 -26.393 6.170 -10.040 0.00 0.00 SOLV ATOM 6853 OH2 TIP3 287 -33.154 -6.359 2.055 0.00 0.00 SOLV ATOM 6854 H1 TIP3 287 -33.072 -7.117 2.655 0.00 0.00 SOLV ATOM 6855 H2 TIP3 287 -33.572 -6.818 1.197 0.00 0.00 SOLV ATOM 6856 OH2 TIP3 288 -30.534 9.878 -8.635 0.00 0.00 SOLV ATOM 6857 H1 TIP3 288 -29.745 10.019 -9.224 0.00 0.00 SOLV ATOM 6858 H2 TIP3 288 -31.140 10.646 -8.775 0.00 0.00 SOLV ATOM 6859 OH2 TIP3 289 -29.834 15.686 -7.715 0.00 0.00 SOLV ATOM 6860 H1 TIP3 289 -29.119 16.330 -7.573 0.00 0.00 SOLV ATOM 6861 H2 TIP3 289 -30.150 15.546 -6.807 0.00 0.00 SOLV ATOM 6862 OH2 TIP3 290 -8.799 -20.884 -13.899 0.00 0.00 SOLV ATOM 6863 H1 TIP3 290 -8.924 -21.849 -13.682 0.00 0.00 SOLV ATOM 6864 H2 TIP3 290 -9.714 -20.615 -14.007 0.00 0.00 SOLV ATOM 6865 OH2 TIP3 291 -26.042 -1.395 11.086 0.00 0.00 SOLV ATOM 6866 H1 TIP3 291 -25.258 -1.934 11.164 0.00 0.00 SOLV ATOM 6867 H2 TIP3 291 -26.256 -1.535 10.168 0.00 0.00 SOLV ATOM 6868 OH2 TIP3 292 -23.743 -19.319 -24.324 0.00 0.00 SOLV ATOM 6869 H1 TIP3 292 -23.802 -18.369 -24.634 0.00 0.00 SOLV ATOM 6870 H2 TIP3 292 -24.648 -19.583 -24.616 0.00 0.00 SOLV ATOM 6871 OH2 TIP3 293 -15.322 -24.868 -5.778 0.00 0.00 SOLV ATOM 6872 H1 TIP3 293 -15.790 -24.863 -4.911 0.00 0.00 SOLV ATOM 6873 H2 TIP3 293 -15.392 -25.830 -5.999 0.00 0.00 SOLV ATOM 6874 OH2 TIP3 294 -32.734 12.840 2.376 0.00 0.00 SOLV ATOM 6875 H1 TIP3 294 -32.376 13.596 2.771 0.00 0.00 SOLV ATOM 6876 H2 TIP3 294 -32.898 13.041 1.450 0.00 0.00 SOLV ATOM 6877 OH2 TIP3 295 -26.425 15.610 -3.669 0.00 0.00 SOLV ATOM 6878 H1 TIP3 295 -26.127 15.179 -4.466 0.00 0.00 SOLV ATOM 6879 H2 TIP3 295 -26.627 16.577 -3.889 0.00 0.00 SOLV ATOM 6880 OH2 TIP3 296 -27.205 14.048 -13.391 0.00 0.00 SOLV ATOM 6881 H1 TIP3 296 -26.322 13.722 -13.578 0.00 0.00 SOLV ATOM 6882 H2 TIP3 296 -27.769 13.614 -14.079 0.00 0.00 SOLV ATOM 6883 OH2 TIP3 297 -19.031 -26.663 -26.878 0.00 0.00 SOLV ATOM 6884 H1 TIP3 297 -19.402 -26.671 -27.740 0.00 0.00 SOLV ATOM 6885 H2 TIP3 297 -18.094 -26.213 -26.961 0.00 0.00 SOLV ATOM 6886 OH2 TIP3 298 -19.335 -23.680 -18.022 0.00 0.00 SOLV ATOM 6887 H1 TIP3 298 -19.948 -24.001 -17.396 0.00 0.00 SOLV ATOM 6888 H2 TIP3 298 -18.549 -23.463 -17.488 0.00 0.00 SOLV ATOM 6889 OH2 TIP3 299 -22.715 -18.366 -14.458 0.00 0.00 SOLV ATOM 6890 H1 TIP3 299 -22.441 -17.832 -15.133 0.00 0.00 SOLV ATOM 6891 H2 TIP3 299 -21.960 -18.554 -13.905 0.00 0.00 SOLV ATOM 6892 OH2 TIP3 300 -23.293 -22.647 6.018 0.00 0.00 SOLV ATOM 6893 H1 TIP3 300 -22.538 -23.139 6.440 0.00 0.00 SOLV ATOM 6894 H2 TIP3 300 -24.077 -22.847 6.548 0.00 0.00 SOLV ATOM 6895 OH2 TIP3 301 -30.381 -11.675 2.692 0.00 0.00 SOLV ATOM 6896 H1 TIP3 301 -30.406 -12.308 1.965 0.00 0.00 SOLV ATOM 6897 H2 TIP3 301 -30.659 -12.146 3.472 0.00 0.00 SOLV ATOM 6898 OH2 TIP3 302 -21.962 -13.632 4.831 0.00 0.00 SOLV ATOM 6899 H1 TIP3 302 -21.895 -14.432 5.416 0.00 0.00 SOLV ATOM 6900 H2 TIP3 302 -21.592 -12.929 5.400 0.00 0.00 SOLV ATOM 6901 OH2 TIP3 303 -20.772 -24.445 -24.661 0.00 0.00 SOLV ATOM 6902 H1 TIP3 303 -21.232 -25.080 -25.281 0.00 0.00 SOLV ATOM 6903 H2 TIP3 303 -21.548 -24.202 -24.033 0.00 0.00 SOLV ATOM 6904 OH2 TIP3 304 -26.028 -13.031 -15.516 0.00 0.00 SOLV ATOM 6905 H1 TIP3 304 -26.684 -13.733 -15.438 0.00 0.00 SOLV ATOM 6906 H2 TIP3 304 -25.245 -13.499 -15.192 0.00 0.00 SOLV ATOM 6907 OH2 TIP3 305 -12.326 -26.089 -4.912 0.00 0.00 SOLV ATOM 6908 H1 TIP3 305 -12.305 -26.982 -5.417 0.00 0.00 SOLV ATOM 6909 H2 TIP3 305 -13.187 -26.101 -4.471 0.00 0.00 SOLV ATOM 6910 OH2 TIP3 306 -24.797 -15.939 -21.715 0.00 0.00 SOLV ATOM 6911 H1 TIP3 306 -25.660 -16.192 -21.401 0.00 0.00 SOLV ATOM 6912 H2 TIP3 306 -24.356 -15.362 -21.073 0.00 0.00 SOLV ATOM 6913 OH2 TIP3 307 -23.533 -15.983 -19.025 0.00 0.00 SOLV ATOM 6914 H1 TIP3 307 -23.452 -16.853 -19.331 0.00 0.00 SOLV ATOM 6915 H2 TIP3 307 -22.613 -15.702 -18.794 0.00 0.00 SOLV ATOM 6916 OH2 TIP3 308 -22.662 -2.224 -18.660 0.00 0.00 SOLV ATOM 6917 H1 TIP3 308 -21.752 -2.235 -19.047 0.00 0.00 SOLV ATOM 6918 H2 TIP3 308 -22.583 -1.683 -17.844 0.00 0.00 SOLV ATOM 6919 OH2 TIP3 309 -20.423 -24.045 3.767 0.00 0.00 SOLV ATOM 6920 H1 TIP3 309 -19.610 -23.778 3.241 0.00 0.00 SOLV ATOM 6921 H2 TIP3 309 -20.972 -23.234 3.645 0.00 0.00 SOLV ATOM 6922 OH2 TIP3 310 24.459 -13.940 -32.145 0.00 0.00 SOLV ATOM 6923 H1 TIP3 310 24.585 -14.573 -32.920 0.00 0.00 SOLV ATOM 6924 H2 TIP3 310 25.257 -13.433 -32.146 0.00 0.00 SOLV ATOM 6925 OH2 TIP3 311 9.929 -19.531 -29.750 0.00 0.00 SOLV ATOM 6926 H1 TIP3 311 9.578 -18.959 -29.039 0.00 0.00 SOLV ATOM 6927 H2 TIP3 311 10.940 -19.471 -29.669 0.00 0.00 SOLV ATOM 6928 OH2 TIP3 312 11.473 -6.456 -7.414 0.00 0.00 SOLV ATOM 6929 H1 TIP3 312 11.889 -7.086 -8.042 0.00 0.00 SOLV ATOM 6930 H2 TIP3 312 11.672 -5.561 -7.778 0.00 0.00 SOLV ATOM 6931 OH2 TIP3 313 -17.386 6.387 6.136 0.00 0.00 SOLV ATOM 6932 H1 TIP3 313 -17.664 5.491 6.135 0.00 0.00 SOLV ATOM 6933 H2 TIP3 313 -17.520 6.693 7.012 0.00 0.00 SOLV ATOM 6934 OH2 TIP3 314 -10.410 -21.514 -8.277 0.00 0.00 SOLV ATOM 6935 H1 TIP3 314 -10.279 -22.147 -9.039 0.00 0.00 SOLV ATOM 6936 H2 TIP3 314 -11.325 -21.198 -8.441 0.00 0.00 SOLV ATOM 6937 OH2 TIP3 315 20.913 -8.670 -27.055 0.00 0.00 SOLV ATOM 6938 H1 TIP3 315 20.303 -8.218 -26.450 0.00 0.00 SOLV ATOM 6939 H2 TIP3 315 21.498 -9.116 -26.425 0.00 0.00 SOLV ATOM 6940 OH2 TIP3 316 -15.000 -16.751 -9.884 0.00 0.00 SOLV ATOM 6941 H1 TIP3 316 -15.556 -17.029 -10.635 0.00 0.00 SOLV ATOM 6942 H2 TIP3 316 -15.661 -16.669 -9.140 0.00 0.00 SOLV ATOM 6943 OH2 TIP3 317 -24.285 -16.634 -24.352 0.00 0.00 SOLV ATOM 6944 H1 TIP3 317 -24.649 -16.577 -23.408 0.00 0.00 SOLV ATOM 6945 H2 TIP3 317 -24.620 -15.730 -24.713 0.00 0.00 SOLV ATOM 6946 OH2 TIP3 318 -14.268 -24.143 -17.798 0.00 0.00 SOLV ATOM 6947 H1 TIP3 318 -13.554 -23.813 -18.434 0.00 0.00 SOLV ATOM 6948 H2 TIP3 318 -14.956 -23.526 -17.839 0.00 0.00 SOLV ATOM 6949 OH2 TIP3 319 21.141 -10.739 -0.308 0.00 0.00 SOLV ATOM 6950 H1 TIP3 319 21.293 -9.849 -0.663 0.00 0.00 SOLV ATOM 6951 H2 TIP3 319 20.339 -10.988 -0.855 0.00 0.00 SOLV ATOM 6952 OH2 TIP3 320 22.866 -18.045 -38.300 0.00 0.00 SOLV ATOM 6953 H1 TIP3 320 22.277 -17.497 -37.720 0.00 0.00 SOLV ATOM 6954 H2 TIP3 320 23.455 -18.549 -37.644 0.00 0.00 SOLV ATOM 6955 OH2 TIP3 321 -18.066 -10.725 -36.684 0.00 0.00 SOLV ATOM 6956 H1 TIP3 321 -18.526 -11.609 -36.603 0.00 0.00 SOLV ATOM 6957 H2 TIP3 321 -18.500 -10.313 -37.463 0.00 0.00 SOLV ATOM 6958 OH2 TIP3 322 17.472 -13.847 -40.140 0.00 0.00 SOLV ATOM 6959 H1 TIP3 322 16.522 -13.846 -40.197 0.00 0.00 SOLV ATOM 6960 H2 TIP3 322 17.698 -14.093 -41.008 0.00 0.00 SOLV ATOM 6961 OH2 TIP3 323 -19.580 -1.099 -35.413 0.00 0.00 SOLV ATOM 6962 H1 TIP3 323 -19.243 -0.435 -34.758 0.00 0.00 SOLV ATOM 6963 H2 TIP3 323 -19.988 -0.541 -36.150 0.00 0.00 SOLV ATOM 6964 OH2 TIP3 324 23.043 -12.022 -31.026 0.00 0.00 SOLV ATOM 6965 H1 TIP3 324 23.173 -12.296 -30.077 0.00 0.00 SOLV ATOM 6966 H2 TIP3 324 23.476 -12.755 -31.511 0.00 0.00 SOLV ATOM 6967 OH2 TIP3 325 -26.556 -12.336 -11.941 0.00 0.00 SOLV ATOM 6968 H1 TIP3 325 -27.090 -13.176 -12.037 0.00 0.00 SOLV ATOM 6969 H2 TIP3 325 -27.070 -11.734 -12.451 0.00 0.00 SOLV ATOM 6970 OH2 TIP3 326 -31.618 -4.398 -8.123 0.00 0.00 SOLV ATOM 6971 H1 TIP3 326 -32.575 -4.351 -8.169 0.00 0.00 SOLV ATOM 6972 H2 TIP3 326 -31.423 -5.372 -8.404 0.00 0.00 SOLV ATOM 6973 OH2 TIP3 327 20.171 3.335 1.835 0.00 0.00 SOLV ATOM 6974 H1 TIP3 327 19.803 4.019 1.238 0.00 0.00 SOLV ATOM 6975 H2 TIP3 327 19.448 2.698 1.899 0.00 0.00 SOLV ATOM 6976 OH2 TIP3 328 -23.894 -9.238 5.579 0.00 0.00 SOLV ATOM 6977 H1 TIP3 328 -24.708 -9.326 5.197 0.00 0.00 SOLV ATOM 6978 H2 TIP3 328 -23.529 -8.406 5.211 0.00 0.00 SOLV ATOM 6979 OH2 TIP3 329 -9.639 4.506 -44.763 0.00 0.00 SOLV ATOM 6980 H1 TIP3 329 -10.184 4.926 -45.447 0.00 0.00 SOLV ATOM 6981 H2 TIP3 329 -9.550 3.609 -45.114 0.00 0.00 SOLV ATOM 6982 OH2 TIP3 330 -15.976 -1.927 -37.674 0.00 0.00 SOLV ATOM 6983 H1 TIP3 330 -15.489 -1.227 -38.082 0.00 0.00 SOLV ATOM 6984 H2 TIP3 330 -15.308 -2.369 -37.165 0.00 0.00 SOLV ATOM 6985 OH2 TIP3 331 -18.223 -8.537 -34.975 0.00 0.00 SOLV ATOM 6986 H1 TIP3 331 -18.295 -9.433 -35.265 0.00 0.00 SOLV ATOM 6987 H2 TIP3 331 -18.603 -8.041 -35.687 0.00 0.00 SOLV ATOM 6988 OH2 TIP3 332 22.543 0.711 -12.015 0.00 0.00 SOLV ATOM 6989 H1 TIP3 332 21.734 0.893 -11.502 0.00 0.00 SOLV ATOM 6990 H2 TIP3 332 23.198 1.149 -11.527 0.00 0.00 SOLV ATOM 6991 OH2 TIP3 333 -2.450 -20.564 -13.108 0.00 0.00 SOLV ATOM 6992 H1 TIP3 333 -1.661 -20.728 -12.576 0.00 0.00 SOLV ATOM 6993 H2 TIP3 333 -3.153 -21.187 -12.717 0.00 0.00 SOLV ATOM 6994 OH2 TIP3 334 23.793 5.062 -0.918 0.00 0.00 SOLV ATOM 6995 H1 TIP3 334 23.605 4.190 -0.501 0.00 0.00 SOLV ATOM 6996 H2 TIP3 334 24.648 4.786 -1.283 0.00 0.00 SOLV ATOM 6997 OH2 TIP3 335 -19.474 -17.374 -9.687 0.00 0.00 SOLV ATOM 6998 H1 TIP3 335 -19.619 -17.757 -8.755 0.00 0.00 SOLV ATOM 6999 H2 TIP3 335 -19.779 -16.499 -9.650 0.00 0.00 SOLV ATOM 7000 OH2 TIP3 336 -31.172 -8.703 -4.216 0.00 0.00 SOLV ATOM 7001 H1 TIP3 336 -31.901 -8.538 -4.840 0.00 0.00 SOLV ATOM 7002 H2 TIP3 336 -30.520 -9.178 -4.749 0.00 0.00 SOLV ATOM 7003 OH2 TIP3 337 -20.272 -8.597 -24.629 0.00 0.00 SOLV ATOM 7004 H1 TIP3 337 -19.355 -8.912 -24.714 0.00 0.00 SOLV ATOM 7005 H2 TIP3 337 -20.740 -9.200 -25.246 0.00 0.00 SOLV ATOM 7006 OH2 TIP3 338 -17.420 -6.765 -18.857 0.00 0.00 SOLV ATOM 7007 H1 TIP3 338 -16.419 -6.678 -19.107 0.00 0.00 SOLV ATOM 7008 H2 TIP3 338 -17.438 -7.595 -18.308 0.00 0.00 SOLV ATOM 7009 OH2 TIP3 339 -25.673 -13.828 -0.591 0.00 0.00 SOLV ATOM 7010 H1 TIP3 339 -25.312 -13.243 0.074 0.00 0.00 SOLV ATOM 7011 H2 TIP3 339 -25.451 -14.712 -0.278 0.00 0.00 SOLV ATOM 7012 OH2 TIP3 340 -26.476 -7.499 -2.507 0.00 0.00 SOLV ATOM 7013 H1 TIP3 340 -27.264 -8.131 -2.680 0.00 0.00 SOLV ATOM 7014 H2 TIP3 340 -26.699 -7.261 -1.614 0.00 0.00 SOLV ATOM 7015 OH2 TIP3 341 21.280 -0.714 -0.955 0.00 0.00 SOLV ATOM 7016 H1 TIP3 341 20.646 -0.983 -0.235 0.00 0.00 SOLV ATOM 7017 H2 TIP3 341 20.981 0.232 -1.123 0.00 0.00 SOLV ATOM 7018 OH2 TIP3 342 -18.622 -12.922 6.444 0.00 0.00 SOLV ATOM 7019 H1 TIP3 342 -18.330 -13.175 7.312 0.00 0.00 SOLV ATOM 7020 H2 TIP3 342 -19.330 -12.244 6.530 0.00 0.00 SOLV ATOM 7021 OH2 TIP3 343 -28.519 -10.631 -4.811 0.00 0.00 SOLV ATOM 7022 H1 TIP3 343 -28.368 -11.570 -4.906 0.00 0.00 SOLV ATOM 7023 H2 TIP3 343 -27.852 -10.328 -5.423 0.00 0.00 SOLV ATOM 7024 OH2 TIP3 344 -12.903 0.369 -40.803 0.00 0.00 SOLV ATOM 7025 H1 TIP3 344 -11.940 0.492 -40.808 0.00 0.00 SOLV ATOM 7026 H2 TIP3 344 -13.151 0.800 -41.644 0.00 0.00 SOLV ATOM 7027 OH2 TIP3 345 -6.851 10.675 -32.961 0.00 0.00 SOLV ATOM 7028 H1 TIP3 345 -6.884 9.757 -32.718 0.00 0.00 SOLV ATOM 7029 H2 TIP3 345 -6.017 10.816 -33.413 0.00 0.00 SOLV ATOM 7030 OH2 TIP3 346 -30.805 -0.573 -6.360 0.00 0.00 SOLV ATOM 7031 H1 TIP3 346 -31.422 -0.985 -6.949 0.00 0.00 SOLV ATOM 7032 H2 TIP3 346 -30.685 -1.264 -5.697 0.00 0.00 SOLV ATOM 7033 OH2 TIP3 347 -34.434 -0.018 0.654 0.00 0.00 SOLV ATOM 7034 H1 TIP3 347 -34.989 0.634 1.026 0.00 0.00 SOLV ATOM 7035 H2 TIP3 347 -33.467 0.218 0.693 0.00 0.00 SOLV ATOM 7036 OH2 TIP3 348 -25.970 9.658 -3.998 0.00 0.00 SOLV ATOM 7037 H1 TIP3 348 -25.948 10.373 -3.325 0.00 0.00 SOLV ATOM 7038 H2 TIP3 348 -26.899 9.509 -4.131 0.00 0.00 SOLV ATOM 7039 OH2 TIP3 349 -11.637 -5.770 -39.401 0.00 0.00 SOLV ATOM 7040 H1 TIP3 349 -12.349 -5.078 -39.460 0.00 0.00 SOLV ATOM 7041 H2 TIP3 349 -11.058 -5.593 -40.150 0.00 0.00 SOLV ATOM 7042 OH2 TIP3 350 -17.490 20.566 4.414 0.00 0.00 SOLV ATOM 7043 H1 TIP3 350 -17.813 19.640 4.341 0.00 0.00 SOLV ATOM 7044 H2 TIP3 350 -18.310 21.026 4.665 0.00 0.00 SOLV ATOM 7045 OH2 TIP3 351 -22.152 15.645 -23.786 0.00 0.00 SOLV ATOM 7046 H1 TIP3 351 -21.427 14.956 -23.717 0.00 0.00 SOLV ATOM 7047 H2 TIP3 351 -22.848 15.227 -24.342 0.00 0.00 SOLV ATOM 7048 OH2 TIP3 352 23.109 0.885 -4.732 0.00 0.00 SOLV ATOM 7049 H1 TIP3 352 23.535 1.408 -5.476 0.00 0.00 SOLV ATOM 7050 H2 TIP3 352 23.148 -0.077 -5.081 0.00 0.00 SOLV ATOM 7051 OH2 TIP3 353 -33.039 10.678 -2.856 0.00 0.00 SOLV ATOM 7052 H1 TIP3 353 -32.199 10.695 -2.382 0.00 0.00 SOLV ATOM 7053 H2 TIP3 353 -32.790 10.343 -3.695 0.00 0.00 SOLV ATOM 7054 OH2 TIP3 354 2.357 29.358 -5.371 0.00 0.00 SOLV ATOM 7055 H1 TIP3 354 3.340 29.457 -5.434 0.00 0.00 SOLV ATOM 7056 H2 TIP3 354 2.276 28.387 -5.120 0.00 0.00 SOLV ATOM 7057 OH2 TIP3 355 -22.915 -8.376 2.231 0.00 0.00 SOLV ATOM 7058 H1 TIP3 355 -22.035 -8.196 1.835 0.00 0.00 SOLV ATOM 7059 H2 TIP3 355 -23.609 -8.160 1.562 0.00 0.00 SOLV ATOM 7060 OH2 TIP3 356 -15.741 4.397 -10.765 0.00 0.00 SOLV ATOM 7061 H1 TIP3 356 -14.854 4.141 -10.563 0.00 0.00 SOLV ATOM 7062 H2 TIP3 356 -16.128 3.804 -11.429 0.00 0.00 SOLV ATOM 7063 OH2 TIP3 357 14.712 1.500 -46.411 0.00 0.00 SOLV ATOM 7064 H1 TIP3 357 15.360 0.937 -46.076 0.00 0.00 SOLV ATOM 7065 H2 TIP3 357 14.924 1.634 -47.391 0.00 0.00 SOLV ATOM 7066 OH2 TIP3 358 -33.901 9.468 -0.181 0.00 0.00 SOLV ATOM 7067 H1 TIP3 358 -33.674 10.147 -0.870 0.00 0.00 SOLV ATOM 7068 H2 TIP3 358 -34.823 9.285 -0.341 0.00 0.00 SOLV ATOM 7069 OH2 TIP3 359 -10.557 1.755 -30.945 0.00 0.00 SOLV ATOM 7070 H1 TIP3 359 -10.577 1.261 -31.771 0.00 0.00 SOLV ATOM 7071 H2 TIP3 359 -11.444 1.862 -30.764 0.00 0.00 SOLV ATOM 7072 OH2 TIP3 360 -13.568 20.381 -21.137 0.00 0.00 SOLV ATOM 7073 H1 TIP3 360 -13.291 20.919 -21.892 0.00 0.00 SOLV ATOM 7074 H2 TIP3 360 -13.127 19.488 -21.301 0.00 0.00 SOLV ATOM 7075 OH2 TIP3 361 -11.240 2.006 -8.357 0.00 0.00 SOLV ATOM 7076 H1 TIP3 361 -10.475 2.633 -8.524 0.00 0.00 SOLV ATOM 7077 H2 TIP3 361 -10.934 1.107 -8.491 0.00 0.00 SOLV ATOM 7078 OH2 TIP3 362 -24.449 2.718 -7.082 0.00 0.00 SOLV ATOM 7079 H1 TIP3 362 -25.284 3.090 -7.109 0.00 0.00 SOLV ATOM 7080 H2 TIP3 362 -24.350 2.400 -6.179 0.00 0.00 SOLV ATOM 7081 OH2 TIP3 363 -14.089 -8.208 -0.424 0.00 0.00 SOLV ATOM 7082 H1 TIP3 363 -13.758 -7.305 -0.107 0.00 0.00 SOLV ATOM 7083 H2 TIP3 363 -14.984 -7.942 -0.790 0.00 0.00 SOLV ATOM 7084 OH2 TIP3 364 -7.360 2.057 -44.894 0.00 0.00 SOLV ATOM 7085 H1 TIP3 364 -7.646 1.858 -45.820 0.00 0.00 SOLV ATOM 7086 H2 TIP3 364 -6.560 2.622 -44.972 0.00 0.00 SOLV ATOM 7087 OH2 TIP3 365 -20.935 12.661 -20.726 0.00 0.00 SOLV ATOM 7088 H1 TIP3 365 -20.919 13.518 -20.181 0.00 0.00 SOLV ATOM 7089 H2 TIP3 365 -20.044 12.217 -20.523 0.00 0.00 SOLV ATOM 7090 OH2 TIP3 366 29.927 15.351 -36.989 0.00 0.00 SOLV ATOM 7091 H1 TIP3 366 29.235 16.018 -36.998 0.00 0.00 SOLV ATOM 7092 H2 TIP3 366 29.886 14.924 -37.888 0.00 0.00 SOLV ATOM 7093 OH2 TIP3 367 9.178 1.510 -39.091 0.00 0.00 SOLV ATOM 7094 H1 TIP3 367 9.364 1.153 -40.033 0.00 0.00 SOLV ATOM 7095 H2 TIP3 367 9.948 2.102 -38.874 0.00 0.00 SOLV ATOM 7096 OH2 TIP3 368 -28.777 6.128 -2.294 0.00 0.00 SOLV ATOM 7097 H1 TIP3 368 -28.956 5.289 -2.684 0.00 0.00 SOLV ATOM 7098 H2 TIP3 368 -29.668 6.478 -2.274 0.00 0.00 SOLV ATOM 7099 OH2 TIP3 369 -27.124 3.440 -18.296 0.00 0.00 SOLV ATOM 7100 H1 TIP3 369 -26.655 2.618 -18.532 0.00 0.00 SOLV ATOM 7101 H2 TIP3 369 -27.829 3.566 -19.022 0.00 0.00 SOLV ATOM 7102 OH2 TIP3 370 20.548 4.570 -2.178 0.00 0.00 SOLV ATOM 7103 H1 TIP3 370 21.075 4.025 -2.795 0.00 0.00 SOLV ATOM 7104 H2 TIP3 370 20.646 4.022 -1.406 0.00 0.00 SOLV ATOM 7105 OH2 TIP3 371 -15.899 -2.837 -19.015 0.00 0.00 SOLV ATOM 7106 H1 TIP3 371 -15.323 -3.579 -18.923 0.00 0.00 SOLV ATOM 7107 H2 TIP3 371 -15.844 -2.564 -19.950 0.00 0.00 SOLV ATOM 7108 OH2 TIP3 372 -17.926 9.408 -32.536 0.00 0.00 SOLV ATOM 7109 H1 TIP3 372 -17.726 8.664 -33.149 0.00 0.00 SOLV ATOM 7110 H2 TIP3 372 -18.864 9.440 -32.427 0.00 0.00 SOLV ATOM 7111 OH2 TIP3 373 -31.117 16.175 5.816 0.00 0.00 SOLV ATOM 7112 H1 TIP3 373 -31.899 16.439 6.323 0.00 0.00 SOLV ATOM 7113 H2 TIP3 373 -30.534 16.975 5.839 0.00 0.00 SOLV ATOM 7114 OH2 TIP3 374 -26.327 6.622 -1.159 0.00 0.00 SOLV ATOM 7115 H1 TIP3 374 -27.228 6.876 -1.489 0.00 0.00 SOLV ATOM 7116 H2 TIP3 374 -26.477 5.758 -0.741 0.00 0.00 SOLV ATOM 7117 OH2 TIP3 375 -32.665 10.532 6.147 0.00 0.00 SOLV ATOM 7118 H1 TIP3 375 -32.999 10.448 5.230 0.00 0.00 SOLV ATOM 7119 H2 TIP3 375 -33.228 11.289 6.501 0.00 0.00 SOLV ATOM 7120 OH2 TIP3 376 21.193 12.259 -54.937 0.00 0.00 SOLV ATOM 7121 H1 TIP3 376 20.940 12.879 -54.162 0.00 0.00 SOLV ATOM 7122 H2 TIP3 376 20.407 12.051 -55.329 0.00 0.00 SOLV ATOM 7123 OH2 TIP3 377 -30.128 4.719 -10.144 0.00 0.00 SOLV ATOM 7124 H1 TIP3 377 -29.748 5.480 -10.471 0.00 0.00 SOLV ATOM 7125 H2 TIP3 377 -31.092 4.902 -10.244 0.00 0.00 SOLV ATOM 7126 OH2 TIP3 378 15.374 3.261 10.747 0.00 0.00 SOLV ATOM 7127 H1 TIP3 378 15.910 3.266 11.574 0.00 0.00 SOLV ATOM 7128 H2 TIP3 378 15.603 4.112 10.321 0.00 0.00 SOLV ATOM 7129 OH2 TIP3 379 -32.029 15.288 -0.801 0.00 0.00 SOLV ATOM 7130 H1 TIP3 379 -32.655 14.557 -0.647 0.00 0.00 SOLV ATOM 7131 H2 TIP3 379 -31.400 14.852 -1.363 0.00 0.00 SOLV ATOM 7132 OH2 TIP3 380 -37.077 8.078 -0.203 0.00 0.00 SOLV ATOM 7133 H1 TIP3 380 -38.030 7.909 0.065 0.00 0.00 SOLV ATOM 7134 H2 TIP3 380 -36.593 8.059 0.657 0.00 0.00 SOLV ATOM 7135 OH2 TIP3 381 -26.169 14.576 4.150 0.00 0.00 SOLV ATOM 7136 H1 TIP3 381 -27.146 14.603 3.939 0.00 0.00 SOLV ATOM 7137 H2 TIP3 381 -26.136 14.187 5.069 0.00 0.00 SOLV ATOM 7138 OH2 TIP3 382 -22.471 12.504 -30.166 0.00 0.00 SOLV ATOM 7139 H1 TIP3 382 -21.686 12.022 -30.448 0.00 0.00 SOLV ATOM 7140 H2 TIP3 382 -22.159 13.459 -30.194 0.00 0.00 SOLV ATOM 7141 OH2 TIP3 383 -22.146 13.469 -17.507 0.00 0.00 SOLV ATOM 7142 H1 TIP3 383 -21.314 13.768 -17.956 0.00 0.00 SOLV ATOM 7143 H2 TIP3 383 -21.922 13.642 -16.568 0.00 0.00 SOLV ATOM 7144 OH2 TIP3 384 -28.972 6.805 -11.466 0.00 0.00 SOLV ATOM 7145 H1 TIP3 384 -28.162 6.248 -11.369 0.00 0.00 SOLV ATOM 7146 H2 TIP3 384 -28.464 7.630 -11.749 0.00 0.00 SOLV ATOM 7147 OH2 TIP3 385 -30.355 11.499 1.849 0.00 0.00 SOLV ATOM 7148 H1 TIP3 385 -30.228 10.512 1.850 0.00 0.00 SOLV ATOM 7149 H2 TIP3 385 -31.326 11.609 1.994 0.00 0.00 SOLV ATOM 7150 OH2 TIP3 386 -28.622 13.058 -1.171 0.00 0.00 SOLV ATOM 7151 H1 TIP3 386 -28.574 13.957 -0.861 0.00 0.00 SOLV ATOM 7152 H2 TIP3 386 -27.741 12.923 -1.567 0.00 0.00 SOLV ATOM 7153 OH2 TIP3 387 0.714 23.884 -15.229 0.00 0.00 SOLV ATOM 7154 H1 TIP3 387 -0.011 24.565 -15.159 0.00 0.00 SOLV ATOM 7155 H2 TIP3 387 0.628 23.509 -16.109 0.00 0.00 SOLV ATOM 7156 OH2 TIP3 388 -32.521 6.959 -0.479 0.00 0.00 SOLV ATOM 7157 H1 TIP3 388 -32.789 7.862 -0.197 0.00 0.00 SOLV ATOM 7158 H2 TIP3 388 -32.275 7.045 -1.394 0.00 0.00 SOLV ATOM 7159 OH2 TIP3 389 24.081 9.256 4.566 0.00 0.00 SOLV ATOM 7160 H1 TIP3 389 23.869 8.343 4.744 0.00 0.00 SOLV ATOM 7161 H2 TIP3 389 23.237 9.651 4.896 0.00 0.00 SOLV ATOM 7162 OH2 TIP3 390 -7.889 26.595 -4.244 0.00 0.00 SOLV ATOM 7163 H1 TIP3 390 -7.442 27.398 -4.129 0.00 0.00 SOLV ATOM 7164 H2 TIP3 390 -7.214 25.949 -4.140 0.00 0.00 SOLV ATOM 7165 OH2 TIP3 391 -28.669 12.284 -4.389 0.00 0.00 SOLV ATOM 7166 H1 TIP3 391 -28.287 12.610 -3.555 0.00 0.00 SOLV ATOM 7167 H2 TIP3 391 -28.789 11.326 -4.262 0.00 0.00 SOLV ATOM 7168 OH2 TIP3 392 -15.267 -32.389 -8.934 0.00 0.00 SOLV ATOM 7169 H1 TIP3 392 -14.461 -32.618 -8.460 0.00 0.00 SOLV ATOM 7170 H2 TIP3 392 -15.905 -33.122 -8.683 0.00 0.00 SOLV ATOM 7171 OH2 TIP3 393 -28.849 13.451 3.002 0.00 0.00 SOLV ATOM 7172 H1 TIP3 393 -28.968 14.177 2.383 0.00 0.00 SOLV ATOM 7173 H2 TIP3 393 -29.388 12.787 2.569 0.00 0.00 SOLV ATOM 7174 OH2 TIP3 394 -17.560 -30.624 -14.963 0.00 0.00 SOLV ATOM 7175 H1 TIP3 394 -18.239 -31.044 -15.572 0.00 0.00 SOLV ATOM 7176 H2 TIP3 394 -17.649 -31.044 -14.096 0.00 0.00 SOLV ATOM 7177 OH2 TIP3 395 -23.085 -31.985 6.179 0.00 0.00 SOLV ATOM 7178 H1 TIP3 395 -23.851 -31.741 6.764 0.00 0.00 SOLV ATOM 7179 H2 TIP3 395 -23.112 -31.326 5.500 0.00 0.00 SOLV ATOM 7180 OH2 TIP3 396 -21.955 -25.386 -11.423 0.00 0.00 SOLV ATOM 7181 H1 TIP3 396 -22.833 -25.303 -11.746 0.00 0.00 SOLV ATOM 7182 H2 TIP3 396 -21.871 -24.641 -10.834 0.00 0.00 SOLV ATOM 7183 OH2 TIP3 397 -17.507 -18.591 -1.552 0.00 0.00 SOLV ATOM 7184 H1 TIP3 397 -18.098 -17.871 -1.753 0.00 0.00 SOLV ATOM 7185 H2 TIP3 397 -17.159 -18.309 -0.705 0.00 0.00 SOLV ATOM 7186 OH2 TIP3 398 -16.598 -14.105 -2.895 0.00 0.00 SOLV ATOM 7187 H1 TIP3 398 -16.472 -14.907 -2.332 0.00 0.00 SOLV ATOM 7188 H2 TIP3 398 -16.941 -13.419 -2.278 0.00 0.00 SOLV ATOM 7189 OH2 TIP3 399 -23.708 -12.830 -21.109 0.00 0.00 SOLV ATOM 7190 H1 TIP3 399 -23.724 -12.680 -20.132 0.00 0.00 SOLV ATOM 7191 H2 TIP3 399 -24.571 -12.374 -21.345 0.00 0.00 SOLV ATOM 7192 OH2 TIP3 400 -21.442 -20.672 -19.064 0.00 0.00 SOLV ATOM 7193 H1 TIP3 400 -21.864 -20.719 -19.914 0.00 0.00 SOLV ATOM 7194 H2 TIP3 400 -22.186 -20.427 -18.459 0.00 0.00 SOLV ATOM 7195 OH2 TIP3 401 -21.103 -24.741 -16.085 0.00 0.00 SOLV ATOM 7196 H1 TIP3 401 -21.904 -25.326 -16.046 0.00 0.00 SOLV ATOM 7197 H2 TIP3 401 -20.587 -25.113 -15.379 0.00 0.00 SOLV ATOM 7198 OH2 TIP3 402 -24.395 -26.029 -14.721 0.00 0.00 SOLV ATOM 7199 H1 TIP3 402 -25.014 -26.708 -15.072 0.00 0.00 SOLV ATOM 7200 H2 TIP3 402 -24.583 -25.895 -13.796 0.00 0.00 SOLV ATOM 7201 OH2 TIP3 403 -20.902 -28.109 5.031 0.00 0.00 SOLV ATOM 7202 H1 TIP3 403 -20.460 -28.250 5.864 0.00 0.00 SOLV ATOM 7203 H2 TIP3 403 -20.756 -28.954 4.532 0.00 0.00 SOLV ATOM 7204 OH2 TIP3 404 -25.372 -25.723 5.792 0.00 0.00 SOLV ATOM 7205 H1 TIP3 404 -24.426 -25.934 5.982 0.00 0.00 SOLV ATOM 7206 H2 TIP3 404 -25.402 -24.775 5.908 0.00 0.00 SOLV ATOM 7207 OH2 TIP3 405 21.947 -14.992 -38.536 0.00 0.00 SOLV ATOM 7208 H1 TIP3 405 21.273 -14.291 -38.465 0.00 0.00 SOLV ATOM 7209 H2 TIP3 405 22.831 -14.655 -38.578 0.00 0.00 SOLV ATOM 7210 OH2 TIP3 406 -19.040 -15.031 -24.090 0.00 0.00 SOLV ATOM 7211 H1 TIP3 406 -18.456 -15.659 -23.628 0.00 0.00 SOLV ATOM 7212 H2 TIP3 406 -19.945 -15.128 -23.702 0.00 0.00 SOLV ATOM 7213 OH2 TIP3 407 -25.819 2.093 2.309 0.00 0.00 SOLV ATOM 7214 H1 TIP3 407 -25.418 1.461 2.879 0.00 0.00 SOLV ATOM 7215 H2 TIP3 407 -25.078 2.721 2.175 0.00 0.00 SOLV ATOM 7216 OH2 TIP3 408 -20.891 -17.539 -12.281 0.00 0.00 SOLV ATOM 7217 H1 TIP3 408 -21.770 -17.207 -11.898 0.00 0.00 SOLV ATOM 7218 H2 TIP3 408 -20.308 -17.461 -11.475 0.00 0.00 SOLV ATOM 7219 OH2 TIP3 409 -1.805 -25.170 -3.673 0.00 0.00 SOLV ATOM 7220 H1 TIP3 409 -1.193 -25.087 -4.389 0.00 0.00 SOLV ATOM 7221 H2 TIP3 409 -1.458 -25.882 -3.210 0.00 0.00 SOLV ATOM 7222 OH2 TIP3 410 -11.073 -18.812 3.333 0.00 0.00 SOLV ATOM 7223 H1 TIP3 410 -10.373 -18.101 3.261 0.00 0.00 SOLV ATOM 7224 H2 TIP3 410 -10.577 -19.582 3.452 0.00 0.00 SOLV ATOM 7225 OH2 TIP3 411 -23.075 -18.743 -5.579 0.00 0.00 SOLV ATOM 7226 H1 TIP3 411 -22.564 -17.940 -5.624 0.00 0.00 SOLV ATOM 7227 H2 TIP3 411 -22.446 -19.309 -5.071 0.00 0.00 SOLV ATOM 7228 OH2 TIP3 412 -20.937 -13.075 2.437 0.00 0.00 SOLV ATOM 7229 H1 TIP3 412 -20.908 -12.174 2.834 0.00 0.00 SOLV ATOM 7230 H2 TIP3 412 -21.149 -13.655 3.186 0.00 0.00 SOLV ATOM 7231 OH2 TIP3 413 -21.798 -4.113 -29.347 0.00 0.00 SOLV ATOM 7232 H1 TIP3 413 -22.000 -4.753 -30.038 0.00 0.00 SOLV ATOM 7233 H2 TIP3 413 -21.849 -4.590 -28.544 0.00 0.00 SOLV ATOM 7234 OH2 TIP3 414 -22.033 -22.529 -21.190 0.00 0.00 SOLV ATOM 7235 H1 TIP3 414 -21.864 -23.351 -20.772 0.00 0.00 SOLV ATOM 7236 H2 TIP3 414 -22.290 -22.771 -22.049 0.00 0.00 SOLV ATOM 7237 OH2 TIP3 415 6.478 -21.340 13.339 0.00 0.00 SOLV ATOM 7238 H1 TIP3 415 7.393 -21.550 13.652 0.00 0.00 SOLV ATOM 7239 H2 TIP3 415 5.876 -21.865 13.944 0.00 0.00 SOLV ATOM 7240 OH2 TIP3 416 -18.676 -21.134 -18.928 0.00 0.00 SOLV ATOM 7241 H1 TIP3 416 -18.966 -22.067 -18.942 0.00 0.00 SOLV ATOM 7242 H2 TIP3 416 -19.503 -20.578 -19.088 0.00 0.00 SOLV ATOM 7243 OH2 TIP3 417 -21.265 -11.410 -22.224 0.00 0.00 SOLV ATOM 7244 H1 TIP3 417 -21.976 -11.969 -22.653 0.00 0.00 SOLV ATOM 7245 H2 TIP3 417 -21.736 -10.755 -21.719 0.00 0.00 SOLV ATOM 7246 OH2 TIP3 418 -11.609 -20.083 0.793 0.00 0.00 SOLV ATOM 7247 H1 TIP3 418 -11.836 -19.228 1.282 0.00 0.00 SOLV ATOM 7248 H2 TIP3 418 -10.711 -19.966 0.669 0.00 0.00 SOLV ATOM 7249 OH2 TIP3 419 -22.597 -14.266 -3.591 0.00 0.00 SOLV ATOM 7250 H1 TIP3 419 -22.954 -13.431 -3.683 0.00 0.00 SOLV ATOM 7251 H2 TIP3 419 -21.821 -14.071 -2.996 0.00 0.00 SOLV ATOM 7252 OH2 TIP3 420 -29.716 -6.132 6.796 0.00 0.00 SOLV ATOM 7253 H1 TIP3 420 -29.172 -6.573 7.483 0.00 0.00 SOLV ATOM 7254 H2 TIP3 420 -29.368 -6.435 5.939 0.00 0.00 SOLV ATOM 7255 OH2 TIP3 421 -13.367 -18.485 5.238 0.00 0.00 SOLV ATOM 7256 H1 TIP3 421 -13.900 -18.852 4.463 0.00 0.00 SOLV ATOM 7257 H2 TIP3 421 -12.667 -17.989 4.765 0.00 0.00 SOLV ATOM 7258 OH2 TIP3 422 -7.817 -1.498 -40.715 0.00 0.00 SOLV ATOM 7259 H1 TIP3 422 -7.873 -1.039 -41.505 0.00 0.00 SOLV ATOM 7260 H2 TIP3 422 -8.746 -1.684 -40.534 0.00 0.00 SOLV ATOM 7261 OH2 TIP3 423 -17.489 -5.520 -35.913 0.00 0.00 SOLV ATOM 7262 H1 TIP3 423 -17.499 -4.606 -36.236 0.00 0.00 SOLV ATOM 7263 H2 TIP3 423 -17.857 -5.401 -35.008 0.00 0.00 SOLV ATOM 7264 OH2 TIP3 424 -22.686 -7.217 -27.763 0.00 0.00 SOLV ATOM 7265 H1 TIP3 424 -23.214 -6.826 -27.010 0.00 0.00 SOLV ATOM 7266 H2 TIP3 424 -22.217 -8.048 -27.432 0.00 0.00 SOLV ATOM 7267 OH2 TIP3 425 24.325 -10.791 -26.180 0.00 0.00 SOLV ATOM 7268 H1 TIP3 425 23.771 -11.434 -26.681 0.00 0.00 SOLV ATOM 7269 H2 TIP3 425 24.856 -10.358 -26.799 0.00 0.00 SOLV ATOM 7270 OH2 TIP3 426 -25.713 -6.126 -15.144 0.00 0.00 SOLV ATOM 7271 H1 TIP3 426 -24.836 -6.180 -14.902 0.00 0.00 SOLV ATOM 7272 H2 TIP3 426 -26.022 -5.398 -14.715 0.00 0.00 SOLV ATOM 7273 OH2 TIP3 427 -20.431 -29.349 -19.212 0.00 0.00 SOLV ATOM 7274 H1 TIP3 427 -20.053 -30.166 -18.795 0.00 0.00 SOLV ATOM 7275 H2 TIP3 427 -20.307 -29.485 -20.153 0.00 0.00 SOLV ATOM 7276 OH2 TIP3 428 -26.258 11.681 18.905 0.00 0.00 SOLV ATOM 7277 H1 TIP3 428 -26.693 11.274 19.638 0.00 0.00 SOLV ATOM 7278 H2 TIP3 428 -26.881 11.561 18.222 0.00 0.00 SOLV ATOM 7279 OH2 TIP3 429 -1.732 -8.729 -28.946 0.00 0.00 SOLV ATOM 7280 H1 TIP3 429 -2.438 -8.060 -28.945 0.00 0.00 SOLV ATOM 7281 H2 TIP3 429 -1.963 -9.260 -28.128 0.00 0.00 SOLV ATOM 7282 OH2 TIP3 430 -13.501 -18.869 -5.940 0.00 0.00 SOLV ATOM 7283 H1 TIP3 430 -13.220 -18.757 -6.868 0.00 0.00 SOLV ATOM 7284 H2 TIP3 430 -14.086 -19.595 -5.984 0.00 0.00 SOLV ATOM 7285 OH2 TIP3 431 -20.914 -10.433 0.935 0.00 0.00 SOLV ATOM 7286 H1 TIP3 431 -21.267 -11.320 0.905 0.00 0.00 SOLV ATOM 7287 H2 TIP3 431 -20.482 -10.333 1.799 0.00 0.00 SOLV ATOM 7288 OH2 TIP3 432 -25.762 -14.407 -7.150 0.00 0.00 SOLV ATOM 7289 H1 TIP3 432 -26.096 -15.165 -7.670 0.00 0.00 SOLV ATOM 7290 H2 TIP3 432 -26.013 -13.689 -7.734 0.00 0.00 SOLV ATOM 7291 OH2 TIP3 433 -37.242 -2.617 0.761 0.00 0.00 SOLV ATOM 7292 H1 TIP3 433 -36.381 -3.063 0.740 0.00 0.00 SOLV ATOM 7293 H2 TIP3 433 -37.074 -1.727 0.378 0.00 0.00 SOLV ATOM 7294 OH2 TIP3 434 -19.680 -6.711 -37.169 0.00 0.00 SOLV ATOM 7295 H1 TIP3 434 -18.937 -6.167 -36.948 0.00 0.00 SOLV ATOM 7296 H2 TIP3 434 -19.407 -6.876 -38.103 0.00 0.00 SOLV ATOM 7297 OH2 TIP3 435 -20.779 -17.403 -30.614 0.00 0.00 SOLV ATOM 7298 H1 TIP3 435 -20.867 -17.196 -29.723 0.00 0.00 SOLV ATOM 7299 H2 TIP3 435 -20.798 -18.366 -30.679 0.00 0.00 SOLV ATOM 7300 OH2 TIP3 436 3.988 3.089 -6.658 0.00 0.00 SOLV ATOM 7301 H1 TIP3 436 4.884 3.173 -6.220 0.00 0.00 SOLV ATOM 7302 H2 TIP3 436 4.204 2.443 -7.368 0.00 0.00 SOLV ATOM 7303 OH2 TIP3 437 -20.293 -19.466 -16.531 0.00 0.00 SOLV ATOM 7304 H1 TIP3 437 -19.855 -20.175 -17.026 0.00 0.00 SOLV ATOM 7305 H2 TIP3 437 -20.974 -19.950 -16.057 0.00 0.00 SOLV ATOM 7306 OH2 TIP3 438 -19.944 -6.274 -10.017 0.00 0.00 SOLV ATOM 7307 H1 TIP3 438 -19.208 -6.188 -9.437 0.00 0.00 SOLV ATOM 7308 H2 TIP3 438 -19.494 -6.398 -10.896 0.00 0.00 SOLV ATOM 7309 OH2 TIP3 439 29.715 0.255 -18.511 0.00 0.00 SOLV ATOM 7310 H1 TIP3 439 29.955 -0.668 -18.847 0.00 0.00 SOLV ATOM 7311 H2 TIP3 439 30.654 0.518 -18.435 0.00 0.00 SOLV ATOM 7312 OH2 TIP3 440 -5.601 -10.095 -46.489 0.00 0.00 SOLV ATOM 7313 H1 TIP3 440 -5.166 -10.926 -46.723 0.00 0.00 SOLV ATOM 7314 H2 TIP3 440 -5.300 -9.928 -45.575 0.00 0.00 SOLV ATOM 7315 OH2 TIP3 441 -18.376 -8.653 -29.622 0.00 0.00 SOLV ATOM 7316 H1 TIP3 441 -18.219 -8.574 -30.609 0.00 0.00 SOLV ATOM 7317 H2 TIP3 441 -17.496 -8.472 -29.281 0.00 0.00 SOLV ATOM 7318 OH2 TIP3 442 -11.927 18.188 -21.171 0.00 0.00 SOLV ATOM 7319 H1 TIP3 442 -11.202 17.847 -21.676 0.00 0.00 SOLV ATOM 7320 H2 TIP3 442 -11.816 17.700 -20.311 0.00 0.00 SOLV ATOM 7321 OH2 TIP3 443 -22.683 -12.759 -16.636 0.00 0.00 SOLV ATOM 7322 H1 TIP3 443 -22.169 -13.535 -16.380 0.00 0.00 SOLV ATOM 7323 H2 TIP3 443 -23.371 -13.142 -17.256 0.00 0.00 SOLV ATOM 7324 OH2 TIP3 444 -32.001 -4.612 -0.567 0.00 0.00 SOLV ATOM 7325 H1 TIP3 444 -31.769 -5.540 -0.722 0.00 0.00 SOLV ATOM 7326 H2 TIP3 444 -32.474 -4.466 -1.342 0.00 0.00 SOLV ATOM 7327 OH2 TIP3 445 -22.327 -10.118 -15.340 0.00 0.00 SOLV ATOM 7328 H1 TIP3 445 -22.826 -9.680 -15.999 0.00 0.00 SOLV ATOM 7329 H2 TIP3 445 -22.380 -11.069 -15.624 0.00 0.00 SOLV ATOM 7330 OH2 TIP3 446 -10.845 -1.177 -19.061 0.00 0.00 SOLV ATOM 7331 H1 TIP3 446 -11.594 -0.721 -19.447 0.00 0.00 SOLV ATOM 7332 H2 TIP3 446 -10.547 -1.826 -19.665 0.00 0.00 SOLV ATOM 7333 OH2 TIP3 447 -23.328 -3.240 -6.343 0.00 0.00 SOLV ATOM 7334 H1 TIP3 447 -23.113 -2.481 -6.881 0.00 0.00 SOLV ATOM 7335 H2 TIP3 447 -23.776 -2.834 -5.551 0.00 0.00 SOLV ATOM 7336 OH2 TIP3 448 -25.983 -9.298 3.724 0.00 0.00 SOLV ATOM 7337 H1 TIP3 448 -26.947 -9.348 3.639 0.00 0.00 SOLV ATOM 7338 H2 TIP3 448 -25.678 -10.030 3.132 0.00 0.00 SOLV ATOM 7339 OH2 TIP3 449 -37.237 2.333 4.701 0.00 0.00 SOLV ATOM 7340 H1 TIP3 449 -36.505 2.006 5.239 0.00 0.00 SOLV ATOM 7341 H2 TIP3 449 -37.526 1.567 4.249 0.00 0.00 SOLV ATOM 7342 OH2 TIP3 450 -16.945 1.958 -17.936 0.00 0.00 SOLV ATOM 7343 H1 TIP3 450 -17.334 1.166 -18.197 0.00 0.00 SOLV ATOM 7344 H2 TIP3 450 -17.672 2.576 -17.967 0.00 0.00 SOLV ATOM 7345 OH2 TIP3 451 -18.571 -4.546 -40.930 0.00 0.00 SOLV ATOM 7346 H1 TIP3 451 -17.782 -4.076 -41.297 0.00 0.00 SOLV ATOM 7347 H2 TIP3 451 -18.910 -4.894 -41.748 0.00 0.00 SOLV ATOM 7348 OH2 TIP3 452 -24.574 -4.680 -3.063 0.00 0.00 SOLV ATOM 7349 H1 TIP3 452 -24.788 -3.876 -3.513 0.00 0.00 SOLV ATOM 7350 H2 TIP3 452 -25.410 -4.785 -2.608 0.00 0.00 SOLV ATOM 7351 OH2 TIP3 453 -21.199 3.603 -19.709 0.00 0.00 SOLV ATOM 7352 H1 TIP3 453 -21.260 2.607 -19.745 0.00 0.00 SOLV ATOM 7353 H2 TIP3 453 -21.653 3.817 -20.456 0.00 0.00 SOLV ATOM 7354 OH2 TIP3 454 -24.426 -4.711 -18.060 0.00 0.00 SOLV ATOM 7355 H1 TIP3 454 -25.269 -4.514 -18.453 0.00 0.00 SOLV ATOM 7356 H2 TIP3 454 -24.703 -5.134 -17.226 0.00 0.00 SOLV ATOM 7357 OH2 TIP3 455 -15.671 -8.372 -28.856 0.00 0.00 SOLV ATOM 7358 H1 TIP3 455 -15.326 -8.842 -28.060 0.00 0.00 SOLV ATOM 7359 H2 TIP3 455 -14.853 -8.274 -29.444 0.00 0.00 SOLV ATOM 7360 OH2 TIP3 456 24.355 -15.997 -6.505 0.00 0.00 SOLV ATOM 7361 H1 TIP3 456 25.026 -16.149 -7.204 0.00 0.00 SOLV ATOM 7362 H2 TIP3 456 23.958 -15.087 -6.708 0.00 0.00 SOLV ATOM 7363 OH2 TIP3 457 -28.147 2.533 -5.013 0.00 0.00 SOLV ATOM 7364 H1 TIP3 457 -28.995 2.908 -4.718 0.00 0.00 SOLV ATOM 7365 H2 TIP3 457 -28.268 2.454 -6.006 0.00 0.00 SOLV ATOM 7366 OH2 TIP3 458 -36.717 -2.879 4.634 0.00 0.00 SOLV ATOM 7367 H1 TIP3 458 -37.475 -3.481 4.647 0.00 0.00 SOLV ATOM 7368 H2 TIP3 458 -36.017 -3.403 4.265 0.00 0.00 SOLV ATOM 7369 OH2 TIP3 459 -17.598 -11.407 -33.581 0.00 0.00 SOLV ATOM 7370 H1 TIP3 459 -17.852 -12.367 -33.451 0.00 0.00 SOLV ATOM 7371 H2 TIP3 459 -17.092 -11.190 -32.782 0.00 0.00 SOLV ATOM 7372 OH2 TIP3 460 -18.492 11.941 -25.770 0.00 0.00 SOLV ATOM 7373 H1 TIP3 460 -17.905 11.515 -26.353 0.00 0.00 SOLV ATOM 7374 H2 TIP3 460 -19.161 12.339 -26.428 0.00 0.00 SOLV ATOM 7375 OH2 TIP3 461 -16.810 -1.233 -4.703 0.00 0.00 SOLV ATOM 7376 H1 TIP3 461 -17.445 -0.548 -4.444 0.00 0.00 SOLV ATOM 7377 H2 TIP3 461 -17.469 -1.853 -5.036 0.00 0.00 SOLV ATOM 7378 OH2 TIP3 462 -13.885 -2.461 -13.820 0.00 0.00 SOLV ATOM 7379 H1 TIP3 462 -13.501 -2.216 -14.720 0.00 0.00 SOLV ATOM 7380 H2 TIP3 462 -14.365 -3.305 -13.972 0.00 0.00 SOLV ATOM 7381 OH2 TIP3 463 -25.870 4.006 -0.632 0.00 0.00 SOLV ATOM 7382 H1 TIP3 463 -25.898 3.179 -1.175 0.00 0.00 SOLV ATOM 7383 H2 TIP3 463 -24.950 4.311 -0.787 0.00 0.00 SOLV ATOM 7384 OH2 TIP3 464 -4.170 -6.874 -39.399 0.00 0.00 SOLV ATOM 7385 H1 TIP3 464 -5.007 -7.292 -39.101 0.00 0.00 SOLV ATOM 7386 H2 TIP3 464 -4.208 -7.120 -40.338 0.00 0.00 SOLV ATOM 7387 OH2 TIP3 465 -24.121 -2.569 -20.942 0.00 0.00 SOLV ATOM 7388 H1 TIP3 465 -23.968 -3.493 -21.272 0.00 0.00 SOLV ATOM 7389 H2 TIP3 465 -23.791 -2.525 -20.008 0.00 0.00 SOLV ATOM 7390 OH2 TIP3 466 -16.384 -3.331 -30.488 0.00 0.00 SOLV ATOM 7391 H1 TIP3 466 -17.099 -3.964 -30.770 0.00 0.00 SOLV ATOM 7392 H2 TIP3 466 -15.919 -3.913 -29.879 0.00 0.00 SOLV ATOM 7393 OH2 TIP3 467 -23.823 0.459 -12.221 0.00 0.00 SOLV ATOM 7394 H1 TIP3 467 -23.837 0.173 -11.317 0.00 0.00 SOLV ATOM 7395 H2 TIP3 467 -24.801 0.636 -12.376 0.00 0.00 SOLV ATOM 7396 OH2 TIP3 468 -27.417 -5.712 -9.728 0.00 0.00 SOLV ATOM 7397 H1 TIP3 468 -26.582 -5.979 -10.132 0.00 0.00 SOLV ATOM 7398 H2 TIP3 468 -28.100 -5.974 -10.405 0.00 0.00 SOLV ATOM 7399 OH2 TIP3 469 -26.199 -8.781 -11.575 0.00 0.00 SOLV ATOM 7400 H1 TIP3 469 -25.658 -8.551 -12.339 0.00 0.00 SOLV ATOM 7401 H2 TIP3 469 -27.109 -8.433 -11.727 0.00 0.00 SOLV ATOM 7402 OH2 TIP3 470 -27.799 -1.649 -11.914 0.00 0.00 SOLV ATOM 7403 H1 TIP3 470 -27.745 -0.848 -11.392 0.00 0.00 SOLV ATOM 7404 H2 TIP3 470 -28.734 -1.577 -12.193 0.00 0.00 SOLV ATOM 7405 OH2 TIP3 471 -23.504 -6.376 -8.760 0.00 0.00 SOLV ATOM 7406 H1 TIP3 471 -24.216 -6.182 -8.124 0.00 0.00 SOLV ATOM 7407 H2 TIP3 471 -23.879 -6.222 -9.674 0.00 0.00 SOLV ATOM 7408 OH2 TIP3 472 -25.384 -2.294 -4.474 0.00 0.00 SOLV ATOM 7409 H1 TIP3 472 -25.811 -1.447 -4.428 0.00 0.00 SOLV ATOM 7410 H2 TIP3 472 -26.005 -2.833 -4.938 0.00 0.00 SOLV ATOM 7411 OH2 TIP3 473 -26.605 -0.663 -1.971 0.00 0.00 SOLV ATOM 7412 H1 TIP3 473 -27.192 -0.914 -1.250 0.00 0.00 SOLV ATOM 7413 H2 TIP3 473 -25.762 -1.033 -1.649 0.00 0.00 SOLV ATOM 7414 OH2 TIP3 474 -9.440 0.659 -6.781 0.00 0.00 SOLV ATOM 7415 H1 TIP3 474 -9.093 0.345 -5.943 0.00 0.00 SOLV ATOM 7416 H2 TIP3 474 -10.392 0.584 -6.605 0.00 0.00 SOLV ATOM 7417 OH2 TIP3 475 -28.897 -0.539 -8.359 0.00 0.00 SOLV ATOM 7418 H1 TIP3 475 -28.712 -1.485 -8.376 0.00 0.00 SOLV ATOM 7419 H2 TIP3 475 -29.735 -0.518 -7.909 0.00 0.00 SOLV ATOM 7420 OH2 TIP3 476 -33.894 13.365 -0.526 0.00 0.00 SOLV ATOM 7421 H1 TIP3 476 -33.960 12.523 -0.902 0.00 0.00 SOLV ATOM 7422 H2 TIP3 476 -34.609 13.874 -1.007 0.00 0.00 SOLV ATOM 7423 OH2 TIP3 477 -27.185 12.980 -21.714 0.00 0.00 SOLV ATOM 7424 H1 TIP3 477 -27.484 12.822 -20.773 0.00 0.00 SOLV ATOM 7425 H2 TIP3 477 -26.507 13.628 -21.526 0.00 0.00 SOLV ATOM 7426 OH2 TIP3 478 -19.848 -1.283 -11.361 0.00 0.00 SOLV ATOM 7427 H1 TIP3 478 -20.410 -1.154 -10.602 0.00 0.00 SOLV ATOM 7428 H2 TIP3 478 -19.310 -0.495 -11.320 0.00 0.00 SOLV ATOM 7429 OH2 TIP3 479 -30.740 -3.176 1.619 0.00 0.00 SOLV ATOM 7430 H1 TIP3 479 -31.296 -3.784 1.065 0.00 0.00 SOLV ATOM 7431 H2 TIP3 479 -31.454 -2.584 1.919 0.00 0.00 SOLV ATOM 7432 OH2 TIP3 480 -28.552 -1.911 0.271 0.00 0.00 SOLV ATOM 7433 H1 TIP3 480 -29.378 -2.319 0.533 0.00 0.00 SOLV ATOM 7434 H2 TIP3 480 -28.637 -1.057 0.778 0.00 0.00 SOLV ATOM 7435 OH2 TIP3 481 -21.430 10.159 -18.686 0.00 0.00 SOLV ATOM 7436 H1 TIP3 481 -21.739 11.075 -18.840 0.00 0.00 SOLV ATOM 7437 H2 TIP3 481 -20.440 10.269 -18.867 0.00 0.00 SOLV ATOM 7438 OH2 TIP3 482 -14.375 -18.623 -16.978 0.00 0.00 SOLV ATOM 7439 H1 TIP3 482 -14.598 -18.299 -16.135 0.00 0.00 SOLV ATOM 7440 H2 TIP3 482 -13.403 -18.628 -16.963 0.00 0.00 SOLV ATOM 7441 OH2 TIP3 483 -24.195 -7.350 -0.638 0.00 0.00 SOLV ATOM 7442 H1 TIP3 483 -24.950 -7.477 -1.265 0.00 0.00 SOLV ATOM 7443 H2 TIP3 483 -23.498 -7.978 -0.889 0.00 0.00 SOLV ATOM 7444 OH2 TIP3 484 9.062 7.068 -43.101 0.00 0.00 SOLV ATOM 7445 H1 TIP3 484 8.939 6.202 -42.711 0.00 0.00 SOLV ATOM 7446 H2 TIP3 484 9.433 6.860 -43.936 0.00 0.00 SOLV ATOM 7447 OH2 TIP3 485 27.655 17.720 -35.373 0.00 0.00 SOLV ATOM 7448 H1 TIP3 485 28.612 17.801 -35.486 0.00 0.00 SOLV ATOM 7449 H2 TIP3 485 27.596 17.445 -34.501 0.00 0.00 SOLV ATOM 7450 OH2 TIP3 486 -25.114 6.587 -7.275 0.00 0.00 SOLV ATOM 7451 H1 TIP3 486 -25.591 6.543 -8.149 0.00 0.00 SOLV ATOM 7452 H2 TIP3 486 -25.695 6.013 -6.682 0.00 0.00 SOLV ATOM 7453 OH2 TIP3 487 -19.272 11.885 -34.074 0.00 0.00 SOLV ATOM 7454 H1 TIP3 487 -20.255 11.674 -34.056 0.00 0.00 SOLV ATOM 7455 H2 TIP3 487 -19.281 12.621 -34.711 0.00 0.00 SOLV ATOM 7456 OH2 TIP3 488 -16.384 12.067 -34.484 0.00 0.00 SOLV ATOM 7457 H1 TIP3 488 -16.557 12.843 -35.054 0.00 0.00 SOLV ATOM 7458 H2 TIP3 488 -17.252 11.560 -34.550 0.00 0.00 SOLV ATOM 7459 OH2 TIP3 489 -16.794 9.372 -29.778 0.00 0.00 SOLV ATOM 7460 H1 TIP3 489 -17.295 9.199 -30.594 0.00 0.00 SOLV ATOM 7461 H2 TIP3 489 -16.369 8.518 -29.540 0.00 0.00 SOLV ATOM 7462 OH2 TIP3 490 -25.192 10.939 -18.518 0.00 0.00 SOLV ATOM 7463 H1 TIP3 490 -24.902 11.846 -18.423 0.00 0.00 SOLV ATOM 7464 H2 TIP3 490 -25.089 10.801 -19.443 0.00 0.00 SOLV ATOM 7465 OH2 TIP3 491 -30.537 1.880 -9.974 0.00 0.00 SOLV ATOM 7466 H1 TIP3 491 -29.975 1.429 -10.563 0.00 0.00 SOLV ATOM 7467 H2 TIP3 491 -30.429 2.829 -10.269 0.00 0.00 SOLV ATOM 7468 OH2 TIP3 492 -30.128 13.617 5.716 0.00 0.00 SOLV ATOM 7469 H1 TIP3 492 -29.735 13.554 4.828 0.00 0.00 SOLV ATOM 7470 H2 TIP3 492 -30.578 14.486 5.666 0.00 0.00 SOLV ATOM 7471 OH2 TIP3 493 -17.797 -0.804 -7.942 0.00 0.00 SOLV ATOM 7472 H1 TIP3 493 -18.345 -0.733 -7.162 0.00 0.00 SOLV ATOM 7473 H2 TIP3 493 -17.980 -1.726 -8.303 0.00 0.00 SOLV ATOM 7474 OH2 TIP3 494 -8.549 15.904 -41.001 0.00 0.00 SOLV ATOM 7475 H1 TIP3 494 -8.068 15.555 -41.762 0.00 0.00 SOLV ATOM 7476 H2 TIP3 494 -8.307 15.355 -40.232 0.00 0.00 SOLV ATOM 7477 OH2 TIP3 495 -8.329 30.430 -5.553 0.00 0.00 SOLV ATOM 7478 H1 TIP3 495 -8.669 31.228 -5.057 0.00 0.00 SOLV ATOM 7479 H2 TIP3 495 -7.711 30.099 -4.870 0.00 0.00 SOLV ATOM 7480 OH2 TIP3 496 -6.510 20.090 11.253 0.00 0.00 SOLV ATOM 7481 H1 TIP3 496 -6.520 21.065 11.472 0.00 0.00 SOLV ATOM 7482 H2 TIP3 496 -6.417 19.637 12.088 0.00 0.00 SOLV ATOM 7483 OH2 TIP3 497 -18.170 -14.542 -37.581 0.00 0.00 SOLV ATOM 7484 H1 TIP3 497 -17.481 -14.794 -36.886 0.00 0.00 SOLV ATOM 7485 H2 TIP3 497 -18.647 -13.864 -37.129 0.00 0.00 SOLV ATOM 7486 OH2 TIP3 498 -19.259 -31.934 -17.914 0.00 0.00 SOLV ATOM 7487 H1 TIP3 498 -18.362 -31.784 -18.115 0.00 0.00 SOLV ATOM 7488 H2 TIP3 498 -19.586 -32.449 -18.675 0.00 0.00 SOLV ATOM 7489 OH2 TIP3 499 -16.364 -22.464 -12.712 0.00 0.00 SOLV ATOM 7490 H1 TIP3 499 -16.310 -23.258 -13.270 0.00 0.00 SOLV ATOM 7491 H2 TIP3 499 -15.520 -22.487 -12.192 0.00 0.00 SOLV ATOM 7492 OH2 TIP3 500 -12.655 -16.946 -20.353 0.00 0.00 SOLV ATOM 7493 H1 TIP3 500 -12.155 -16.332 -20.900 0.00 0.00 SOLV ATOM 7494 H2 TIP3 500 -12.169 -17.748 -20.532 0.00 0.00 SOLV ATOM 7495 OH2 TIP3 501 14.515 -28.032 6.535 0.00 0.00 SOLV ATOM 7496 H1 TIP3 501 15.355 -28.529 6.495 0.00 0.00 SOLV ATOM 7497 H2 TIP3 501 14.674 -27.394 5.867 0.00 0.00 SOLV ATOM 7498 OH2 TIP3 502 -20.834 -15.082 -22.058 0.00 0.00 SOLV ATOM 7499 H1 TIP3 502 -19.981 -15.085 -21.467 0.00 0.00 SOLV ATOM 7500 H2 TIP3 502 -21.376 -14.281 -21.750 0.00 0.00 SOLV ATOM 7501 OH2 TIP3 503 -12.962 -24.232 -11.616 0.00 0.00 SOLV ATOM 7502 H1 TIP3 503 -13.464 -23.401 -11.548 0.00 0.00 SOLV ATOM 7503 H2 TIP3 503 -13.276 -24.598 -12.375 0.00 0.00 SOLV ATOM 7504 OH2 TIP3 504 -23.385 -18.498 -21.582 0.00 0.00 SOLV ATOM 7505 H1 TIP3 504 -23.516 -18.854 -22.444 0.00 0.00 SOLV ATOM 7506 H2 TIP3 504 -23.164 -17.544 -21.702 0.00 0.00 SOLV ATOM 7507 OH2 TIP3 505 -15.158 -33.354 -15.913 0.00 0.00 SOLV ATOM 7508 H1 TIP3 505 -15.790 -33.666 -16.513 0.00 0.00 SOLV ATOM 7509 H2 TIP3 505 -15.535 -32.441 -15.734 0.00 0.00 SOLV ATOM 7510 OH2 TIP3 506 -22.392 -17.055 0.576 0.00 0.00 SOLV ATOM 7511 H1 TIP3 506 -23.256 -16.757 0.468 0.00 0.00 SOLV ATOM 7512 H2 TIP3 506 -21.961 -16.915 -0.305 0.00 0.00 SOLV ATOM 7513 OH2 TIP3 507 -19.104 -9.087 8.668 0.00 0.00 SOLV ATOM 7514 H1 TIP3 507 -18.304 -9.358 9.161 0.00 0.00 SOLV ATOM 7515 H2 TIP3 507 -19.794 -9.879 8.679 0.00 0.00 SOLV ATOM 7516 OH2 TIP3 508 -21.703 -21.854 -28.645 0.00 0.00 SOLV ATOM 7517 H1 TIP3 508 -21.088 -22.039 -27.941 0.00 0.00 SOLV ATOM 7518 H2 TIP3 508 -22.415 -22.479 -28.511 0.00 0.00 SOLV ATOM 7519 OH2 TIP3 509 -15.422 -11.721 -35.656 0.00 0.00 SOLV ATOM 7520 H1 TIP3 509 -16.163 -11.130 -35.593 0.00 0.00 SOLV ATOM 7521 H2 TIP3 509 -15.490 -12.200 -34.805 0.00 0.00 SOLV ATOM 7522 OH2 TIP3 510 -25.522 -23.958 -16.629 0.00 0.00 SOLV ATOM 7523 H1 TIP3 510 -25.074 -24.504 -15.966 0.00 0.00 SOLV ATOM 7524 H2 TIP3 510 -24.847 -23.972 -17.337 0.00 0.00 SOLV ATOM 7525 OH2 TIP3 511 -26.486 -12.419 -8.900 0.00 0.00 SOLV ATOM 7526 H1 TIP3 511 -26.759 -12.775 -9.809 0.00 0.00 SOLV ATOM 7527 H2 TIP3 511 -26.693 -11.497 -8.894 0.00 0.00 SOLV ATOM 7528 OH2 TIP3 512 -15.474 -18.921 -26.439 0.00 0.00 SOLV ATOM 7529 H1 TIP3 512 -16.129 -18.905 -25.798 0.00 0.00 SOLV ATOM 7530 H2 TIP3 512 -14.705 -19.263 -25.958 0.00 0.00 SOLV ATOM 7531 OH2 TIP3 513 -22.776 -10.719 -4.000 0.00 0.00 SOLV ATOM 7532 H1 TIP3 513 -22.228 -11.446 -4.377 0.00 0.00 SOLV ATOM 7533 H2 TIP3 513 -23.641 -11.103 -3.954 0.00 0.00 SOLV ATOM 7534 OH2 TIP3 514 -26.882 -17.291 -12.630 0.00 0.00 SOLV ATOM 7535 H1 TIP3 514 -26.340 -16.534 -12.328 0.00 0.00 SOLV ATOM 7536 H2 TIP3 514 -26.168 -17.869 -13.010 0.00 0.00 SOLV ATOM 7537 OH2 TIP3 515 -24.580 -12.967 4.520 0.00 0.00 SOLV ATOM 7538 H1 TIP3 515 -24.591 -12.234 3.905 0.00 0.00 SOLV ATOM 7539 H2 TIP3 515 -23.586 -13.120 4.573 0.00 0.00 SOLV ATOM 7540 OH2 TIP3 516 -18.187 -4.380 -33.439 0.00 0.00 SOLV ATOM 7541 H1 TIP3 516 -18.334 -4.650 -32.502 0.00 0.00 SOLV ATOM 7542 H2 TIP3 516 -17.248 -4.125 -33.437 0.00 0.00 SOLV ATOM 7543 OH2 TIP3 517 -22.613 -13.339 -23.732 0.00 0.00 SOLV ATOM 7544 H1 TIP3 517 -23.181 -14.001 -23.288 0.00 0.00 SOLV ATOM 7545 H2 TIP3 517 -22.772 -13.513 -24.649 0.00 0.00 SOLV ATOM 7546 OH2 TIP3 518 -12.821 -29.534 -21.378 0.00 0.00 SOLV ATOM 7547 H1 TIP3 518 -13.583 -29.869 -21.733 0.00 0.00 SOLV ATOM 7548 H2 TIP3 518 -12.531 -28.835 -22.058 0.00 0.00 SOLV ATOM 7549 OH2 TIP3 519 -25.823 -21.186 -10.575 0.00 0.00 SOLV ATOM 7550 H1 TIP3 519 -25.947 -21.600 -9.707 0.00 0.00 SOLV ATOM 7551 H2 TIP3 519 -26.182 -20.302 -10.479 0.00 0.00 SOLV ATOM 7552 OH2 TIP3 520 -17.176 -25.091 -3.721 0.00 0.00 SOLV ATOM 7553 H1 TIP3 520 -17.755 -25.889 -3.806 0.00 0.00 SOLV ATOM 7554 H2 TIP3 520 -17.721 -24.403 -4.097 0.00 0.00 SOLV ATOM 7555 OH2 TIP3 521 -11.624 -13.685 -35.598 0.00 0.00 SOLV ATOM 7556 H1 TIP3 521 -12.366 -13.483 -36.153 0.00 0.00 SOLV ATOM 7557 H2 TIP3 521 -11.355 -12.779 -35.232 0.00 0.00 SOLV ATOM 7558 OH2 TIP3 522 -15.798 -16.510 -15.182 0.00 0.00 SOLV ATOM 7559 H1 TIP3 522 -15.395 -15.796 -15.667 0.00 0.00 SOLV ATOM 7560 H2 TIP3 522 -16.521 -16.778 -15.821 0.00 0.00 SOLV ATOM 7561 OH2 TIP3 523 21.616 -21.174 -33.522 0.00 0.00 SOLV ATOM 7562 H1 TIP3 523 20.904 -20.468 -33.526 0.00 0.00 SOLV ATOM 7563 H2 TIP3 523 21.184 -21.891 -34.105 0.00 0.00 SOLV ATOM 7564 OH2 TIP3 524 -9.208 -23.932 -20.599 0.00 0.00 SOLV ATOM 7565 H1 TIP3 524 -8.783 -23.325 -20.003 0.00 0.00 SOLV ATOM 7566 H2 TIP3 524 -8.864 -24.784 -20.254 0.00 0.00 SOLV ATOM 7567 OH2 TIP3 525 -18.622 -3.784 -19.008 0.00 0.00 SOLV ATOM 7568 H1 TIP3 525 -18.539 -4.701 -19.277 0.00 0.00 SOLV ATOM 7569 H2 TIP3 525 -17.673 -3.464 -19.081 0.00 0.00 SOLV ATOM 7570 OH2 TIP3 526 -24.098 -12.543 -10.850 0.00 0.00 SOLV ATOM 7571 H1 TIP3 526 -25.033 -12.427 -10.939 0.00 0.00 SOLV ATOM 7572 H2 TIP3 526 -23.721 -11.666 -10.700 0.00 0.00 SOLV ATOM 7573 OH2 TIP3 527 -27.885 6.013 -15.289 0.00 0.00 SOLV ATOM 7574 H1 TIP3 527 -27.245 6.001 -15.959 0.00 0.00 SOLV ATOM 7575 H2 TIP3 527 -27.359 5.577 -14.595 0.00 0.00 SOLV ATOM 7576 OH2 TIP3 528 -28.603 -9.430 3.136 0.00 0.00 SOLV ATOM 7577 H1 TIP3 528 -29.137 -8.600 2.930 0.00 0.00 SOLV ATOM 7578 H2 TIP3 528 -29.292 -10.066 3.152 0.00 0.00 SOLV ATOM 7579 OH2 TIP3 529 -19.556 -15.482 -34.392 0.00 0.00 SOLV ATOM 7580 H1 TIP3 529 -18.773 -15.219 -33.861 0.00 0.00 SOLV ATOM 7581 H2 TIP3 529 -19.503 -16.501 -34.313 0.00 0.00 SOLV ATOM 7582 OH2 TIP3 530 -19.942 -10.536 -39.607 0.00 0.00 SOLV ATOM 7583 H1 TIP3 530 -20.015 -9.554 -39.444 0.00 0.00 SOLV ATOM 7584 H2 TIP3 530 -20.320 -10.670 -40.499 0.00 0.00 SOLV ATOM 7585 OH2 TIP3 531 -16.486 -20.592 -29.424 0.00 0.00 SOLV ATOM 7586 H1 TIP3 531 -16.758 -19.831 -29.894 0.00 0.00 SOLV ATOM 7587 H2 TIP3 531 -16.372 -20.304 -28.488 0.00 0.00 SOLV ATOM 7588 OH2 TIP3 532 -18.782 -10.964 -14.508 0.00 0.00 SOLV ATOM 7589 H1 TIP3 532 -18.353 -11.601 -13.883 0.00 0.00 SOLV ATOM 7590 H2 TIP3 532 -18.249 -11.195 -15.360 0.00 0.00 SOLV ATOM 7591 OH2 TIP3 533 -3.349 -6.031 5.500 0.00 0.00 SOLV ATOM 7592 H1 TIP3 533 -3.683 -6.165 6.401 0.00 0.00 SOLV ATOM 7593 H2 TIP3 533 -3.680 -5.119 5.287 0.00 0.00 SOLV ATOM 7594 OH2 TIP3 534 -20.513 -12.391 -19.693 0.00 0.00 SOLV ATOM 7595 H1 TIP3 534 -20.458 -12.641 -20.662 0.00 0.00 SOLV ATOM 7596 H2 TIP3 534 -21.079 -11.594 -19.772 0.00 0.00 SOLV ATOM 7597 OH2 TIP3 535 -19.933 -13.783 -12.157 0.00 0.00 SOLV ATOM 7598 H1 TIP3 535 -20.174 -14.186 -12.988 0.00 0.00 SOLV ATOM 7599 H2 TIP3 535 -20.268 -12.833 -12.268 0.00 0.00 SOLV ATOM 7600 OH2 TIP3 536 -8.652 -30.255 -13.907 0.00 0.00 SOLV ATOM 7601 H1 TIP3 536 -8.406 -31.027 -13.399 0.00 0.00 SOLV ATOM 7602 H2 TIP3 536 -8.849 -29.673 -13.224 0.00 0.00 SOLV ATOM 7603 OH2 TIP3 537 -24.176 -8.068 -13.212 0.00 0.00 SOLV ATOM 7604 H1 TIP3 537 -23.488 -7.982 -12.558 0.00 0.00 SOLV ATOM 7605 H2 TIP3 537 -23.769 -8.479 -14.001 0.00 0.00 SOLV ATOM 7606 OH2 TIP3 538 -7.953 -11.809 5.325 0.00 0.00 SOLV ATOM 7607 H1 TIP3 538 -8.181 -12.325 6.122 0.00 0.00 SOLV ATOM 7608 H2 TIP3 538 -7.124 -11.373 5.606 0.00 0.00 SOLV ATOM 7609 OH2 TIP3 539 -16.730 -15.718 -0.604 0.00 0.00 SOLV ATOM 7610 H1 TIP3 539 -15.980 -15.379 -0.249 0.00 0.00 SOLV ATOM 7611 H2 TIP3 539 -16.894 -16.595 -0.138 0.00 0.00 SOLV ATOM 7612 OH2 TIP3 540 -15.965 -10.864 -38.832 0.00 0.00 SOLV ATOM 7613 H1 TIP3 540 -16.140 -11.211 -37.975 0.00 0.00 SOLV ATOM 7614 H2 TIP3 540 -16.256 -9.946 -38.665 0.00 0.00 SOLV ATOM 7615 OH2 TIP3 541 -15.716 -9.990 -11.845 0.00 0.00 SOLV ATOM 7616 H1 TIP3 541 -14.777 -10.006 -11.995 0.00 0.00 SOLV ATOM 7617 H2 TIP3 541 -15.999 -10.354 -12.663 0.00 0.00 SOLV ATOM 7618 OH2 TIP3 542 -25.399 -11.084 -24.151 0.00 0.00 SOLV ATOM 7619 H1 TIP3 542 -25.353 -11.135 -25.108 0.00 0.00 SOLV ATOM 7620 H2 TIP3 542 -25.037 -10.190 -24.006 0.00 0.00 SOLV ATOM 7621 OH2 TIP3 543 -20.517 -20.174 -30.443 0.00 0.00 SOLV ATOM 7622 H1 TIP3 543 -21.078 -20.503 -29.661 0.00 0.00 SOLV ATOM 7623 H2 TIP3 543 -21.208 -20.389 -31.174 0.00 0.00 SOLV ATOM 7624 OH2 TIP3 544 13.169 -8.291 -38.932 0.00 0.00 SOLV ATOM 7625 H1 TIP3 544 13.793 -7.631 -39.299 0.00 0.00 SOLV ATOM 7626 H2 TIP3 544 12.949 -8.756 -39.759 0.00 0.00 SOLV ATOM 7627 OH2 TIP3 545 -22.681 -13.652 -8.312 0.00 0.00 SOLV ATOM 7628 H1 TIP3 545 -23.419 -14.155 -7.923 0.00 0.00 SOLV ATOM 7629 H2 TIP3 545 -23.147 -13.166 -9.012 0.00 0.00 SOLV ATOM 7630 OH2 TIP3 546 -21.336 -22.093 -16.237 0.00 0.00 SOLV ATOM 7631 H1 TIP3 546 -21.429 -22.042 -17.170 0.00 0.00 SOLV ATOM 7632 H2 TIP3 546 -21.288 -23.034 -16.021 0.00 0.00 SOLV ATOM 7633 OH2 TIP3 547 -13.238 -8.677 -18.094 0.00 0.00 SOLV ATOM 7634 H1 TIP3 547 -13.936 -8.119 -17.774 0.00 0.00 SOLV ATOM 7635 H2 TIP3 547 -13.596 -9.529 -18.114 0.00 0.00 SOLV ATOM 7636 OH2 TIP3 548 -17.497 -3.434 -24.814 0.00 0.00 SOLV ATOM 7637 H1 TIP3 548 -16.985 -4.171 -24.745 0.00 0.00 SOLV ATOM 7638 H2 TIP3 548 -16.889 -2.813 -25.156 0.00 0.00 SOLV ATOM 7639 OH2 TIP3 549 -23.897 3.770 -14.715 0.00 0.00 SOLV ATOM 7640 H1 TIP3 549 -23.112 3.415 -15.186 0.00 0.00 SOLV ATOM 7641 H2 TIP3 549 -24.521 3.018 -14.704 0.00 0.00 SOLV ATOM 7642 OH2 TIP3 550 -22.234 -9.924 -20.222 0.00 0.00 SOLV ATOM 7643 H1 TIP3 550 -23.182 -10.113 -20.019 0.00 0.00 SOLV ATOM 7644 H2 TIP3 550 -22.042 -9.203 -19.647 0.00 0.00 SOLV ATOM 7645 OH2 TIP3 551 -25.510 -7.893 -5.250 0.00 0.00 SOLV ATOM 7646 H1 TIP3 551 -25.664 -7.620 -4.311 0.00 0.00 SOLV ATOM 7647 H2 TIP3 551 -25.290 -7.026 -5.620 0.00 0.00 SOLV ATOM 7648 OH2 TIP3 552 -12.237 -11.124 -28.828 0.00 0.00 SOLV ATOM 7649 H1 TIP3 552 -12.680 -11.240 -29.764 0.00 0.00 SOLV ATOM 7650 H2 TIP3 552 -12.919 -10.732 -28.260 0.00 0.00 SOLV ATOM 7651 OH2 TIP3 553 -27.361 -12.549 4.794 0.00 0.00 SOLV ATOM 7652 H1 TIP3 553 -27.407 -12.771 3.846 0.00 0.00 SOLV ATOM 7653 H2 TIP3 553 -26.405 -12.713 4.963 0.00 0.00 SOLV ATOM 7654 OH2 TIP3 554 3.897 -14.295 5.659 0.00 0.00 SOLV ATOM 7655 H1 TIP3 554 3.498 -14.858 5.060 0.00 0.00 SOLV ATOM 7656 H2 TIP3 554 4.179 -14.837 6.383 0.00 0.00 SOLV ATOM 7657 OH2 TIP3 555 1.470 16.351 -24.527 0.00 0.00 SOLV ATOM 7658 H1 TIP3 555 0.657 16.301 -24.027 0.00 0.00 SOLV ATOM 7659 H2 TIP3 555 1.918 15.525 -24.334 0.00 0.00 SOLV ATOM 7660 OH2 TIP3 556 -7.998 -20.841 -21.476 0.00 0.00 SOLV ATOM 7661 H1 TIP3 556 -7.815 -21.145 -20.589 0.00 0.00 SOLV ATOM 7662 H2 TIP3 556 -7.914 -21.636 -22.014 0.00 0.00 SOLV ATOM 7663 OH2 TIP3 557 -23.497 15.082 4.616 0.00 0.00 SOLV ATOM 7664 H1 TIP3 557 -24.399 15.099 4.380 0.00 0.00 SOLV ATOM 7665 H2 TIP3 557 -23.542 14.747 5.528 0.00 0.00 SOLV ATOM 7666 OH2 TIP3 558 -6.551 7.818 -29.427 0.00 0.00 SOLV ATOM 7667 H1 TIP3 558 -7.141 7.119 -29.199 0.00 0.00 SOLV ATOM 7668 H2 TIP3 558 -6.287 8.088 -28.528 0.00 0.00 SOLV ATOM 7669 OH2 TIP3 559 -18.424 -5.133 -30.748 0.00 0.00 SOLV ATOM 7670 H1 TIP3 559 -18.364 -6.083 -30.854 0.00 0.00 SOLV ATOM 7671 H2 TIP3 559 -18.900 -5.104 -29.852 0.00 0.00 SOLV ATOM 7672 OH2 TIP3 560 -14.530 -14.816 -24.864 0.00 0.00 SOLV ATOM 7673 H1 TIP3 560 -14.934 -15.036 -25.692 0.00 0.00 SOLV ATOM 7674 H2 TIP3 560 -15.255 -14.490 -24.337 0.00 0.00 SOLV ATOM 7675 OH2 TIP3 561 -25.930 7.691 -19.558 0.00 0.00 SOLV ATOM 7676 H1 TIP3 561 -25.810 6.784 -19.386 0.00 0.00 SOLV ATOM 7677 H2 TIP3 561 -25.043 8.019 -19.665 0.00 0.00 SOLV ATOM 7678 OH2 TIP3 562 -24.173 -5.451 -26.070 0.00 0.00 SOLV ATOM 7679 H1 TIP3 562 -24.663 -4.765 -26.495 0.00 0.00 SOLV ATOM 7680 H2 TIP3 562 -24.799 -5.752 -25.423 0.00 0.00 SOLV ATOM 7681 OH2 TIP3 563 -19.517 -22.328 -14.122 0.00 0.00 SOLV ATOM 7682 H1 TIP3 563 -20.313 -22.253 -14.670 0.00 0.00 SOLV ATOM 7683 H2 TIP3 563 -19.343 -21.381 -13.846 0.00 0.00 SOLV ATOM 7684 OH2 TIP3 564 -24.108 -3.345 -14.061 0.00 0.00 SOLV ATOM 7685 H1 TIP3 564 -24.510 -3.237 -13.141 0.00 0.00 SOLV ATOM 7686 H2 TIP3 564 -23.332 -2.725 -13.933 0.00 0.00 SOLV ATOM 7687 OH2 TIP3 565 -12.893 -10.491 -12.960 0.00 0.00 SOLV ATOM 7688 H1 TIP3 565 -12.198 -9.874 -13.277 0.00 0.00 SOLV ATOM 7689 H2 TIP3 565 -13.141 -10.955 -13.772 0.00 0.00 SOLV ATOM 7690 OH2 TIP3 566 2.804 2.561 6.139 0.00 0.00 SOLV ATOM 7691 H1 TIP3 566 2.831 3.213 5.414 0.00 0.00 SOLV ATOM 7692 H2 TIP3 566 2.000 1.999 5.989 0.00 0.00 SOLV ATOM 7693 OH2 TIP3 567 -14.993 5.996 -40.882 0.00 0.00 SOLV ATOM 7694 H1 TIP3 567 -15.348 6.909 -40.882 0.00 0.00 SOLV ATOM 7695 H2 TIP3 567 -14.135 6.058 -40.354 0.00 0.00 SOLV ATOM 7696 OH2 TIP3 568 -8.674 -6.073 -25.700 0.00 0.00 SOLV ATOM 7697 H1 TIP3 568 -8.882 -6.918 -25.417 0.00 0.00 SOLV ATOM 7698 H2 TIP3 568 -8.797 -6.148 -26.626 0.00 0.00 SOLV ATOM 7699 OH2 TIP3 569 -29.002 10.165 -13.489 0.00 0.00 SOLV ATOM 7700 H1 TIP3 569 -29.459 10.868 -12.872 0.00 0.00 SOLV ATOM 7701 H2 TIP3 569 -29.048 10.643 -14.368 0.00 0.00 SOLV ATOM 7702 OH2 TIP3 570 -24.899 6.349 -23.221 0.00 0.00 SOLV ATOM 7703 H1 TIP3 570 -25.103 7.258 -22.835 0.00 0.00 SOLV ATOM 7704 H2 TIP3 570 -25.550 5.789 -22.850 0.00 0.00 SOLV ATOM 7705 OH2 TIP3 571 -22.190 -6.416 -11.782 0.00 0.00 SOLV ATOM 7706 H1 TIP3 571 -21.758 -5.928 -12.510 0.00 0.00 SOLV ATOM 7707 H2 TIP3 571 -21.709 -6.016 -11.031 0.00 0.00 SOLV ATOM 7708 OH2 TIP3 572 -19.944 -13.774 -2.564 0.00 0.00 SOLV ATOM 7709 H1 TIP3 572 -19.498 -13.044 -2.969 0.00 0.00 SOLV ATOM 7710 H2 TIP3 572 -19.889 -13.597 -1.567 0.00 0.00 SOLV ATOM 7711 OH2 TIP3 573 -29.006 -3.245 -7.982 0.00 0.00 SOLV ATOM 7712 H1 TIP3 573 -28.512 -3.962 -8.470 0.00 0.00 SOLV ATOM 7713 H2 TIP3 573 -29.891 -3.589 -7.818 0.00 0.00 SOLV ATOM 7714 OH2 TIP3 574 -18.979 -9.627 -10.940 0.00 0.00 SOLV ATOM 7715 H1 TIP3 574 -18.866 -8.705 -11.243 0.00 0.00 SOLV ATOM 7716 H2 TIP3 574 -18.299 -10.114 -11.490 0.00 0.00 SOLV ATOM 7717 OH2 TIP3 575 -0.741 6.887 16.057 0.00 0.00 SOLV ATOM 7718 H1 TIP3 575 -1.111 7.463 16.730 0.00 0.00 SOLV ATOM 7719 H2 TIP3 575 -1.342 7.107 15.331 0.00 0.00 SOLV ATOM 7720 OH2 TIP3 576 -15.583 1.470 -42.172 0.00 0.00 SOLV ATOM 7721 H1 TIP3 576 -15.370 2.347 -42.568 0.00 0.00 SOLV ATOM 7722 H2 TIP3 576 -16.125 1.631 -41.378 0.00 0.00 SOLV ATOM 7723 OH2 TIP3 577 -8.086 29.308 -14.643 0.00 0.00 SOLV ATOM 7724 H1 TIP3 577 -8.722 28.736 -14.187 0.00 0.00 SOLV ATOM 7725 H2 TIP3 577 -8.531 30.182 -14.664 0.00 0.00 SOLV ATOM 7726 OH2 TIP3 578 -18.002 7.227 -26.719 0.00 0.00 SOLV ATOM 7727 H1 TIP3 578 -17.414 6.532 -27.102 0.00 0.00 SOLV ATOM 7728 H2 TIP3 578 -18.040 7.071 -25.752 0.00 0.00 SOLV ATOM 7729 OH2 TIP3 579 -17.688 -0.996 -30.621 0.00 0.00 SOLV ATOM 7730 H1 TIP3 579 -17.125 -1.842 -30.688 0.00 0.00 SOLV ATOM 7731 H2 TIP3 579 -17.541 -0.633 -29.700 0.00 0.00 SOLV ATOM 7732 OH2 TIP3 580 -15.396 3.760 -31.520 0.00 0.00 SOLV ATOM 7733 H1 TIP3 580 -15.987 4.501 -31.786 0.00 0.00 SOLV ATOM 7734 H2 TIP3 580 -15.894 3.248 -30.884 0.00 0.00 SOLV ATOM 7735 OH2 TIP3 581 -13.122 -2.294 -16.589 0.00 0.00 SOLV ATOM 7736 H1 TIP3 581 -12.323 -2.125 -17.205 0.00 0.00 SOLV ATOM 7737 H2 TIP3 581 -13.420 -3.153 -16.802 0.00 0.00 SOLV ATOM 7738 OH2 TIP3 582 -26.646 10.963 -11.996 0.00 0.00 SOLV ATOM 7739 H1 TIP3 582 -27.404 10.605 -12.343 0.00 0.00 SOLV ATOM 7740 H2 TIP3 582 -26.190 11.435 -12.691 0.00 0.00 SOLV ATOM 7741 OH2 TIP3 583 -23.279 5.226 -3.677 0.00 0.00 SOLV ATOM 7742 H1 TIP3 583 -22.413 5.631 -3.823 0.00 0.00 SOLV ATOM 7743 H2 TIP3 583 -23.830 6.035 -3.664 0.00 0.00 SOLV ATOM 7744 OH2 TIP3 584 16.597 10.228 -41.704 0.00 0.00 SOLV ATOM 7745 H1 TIP3 584 16.460 10.487 -40.793 0.00 0.00 SOLV ATOM 7746 H2 TIP3 584 16.160 9.311 -41.719 0.00 0.00 SOLV ATOM 7747 OH2 TIP3 585 -19.681 11.816 -31.202 0.00 0.00 SOLV ATOM 7748 H1 TIP3 585 -18.814 11.358 -31.207 0.00 0.00 SOLV ATOM 7749 H2 TIP3 585 -20.029 11.767 -32.091 0.00 0.00 SOLV ATOM 7750 OH2 TIP3 586 -21.483 -1.660 -8.351 0.00 0.00 SOLV ATOM 7751 H1 TIP3 586 -21.059 -1.129 -7.682 0.00 0.00 SOLV ATOM 7752 H2 TIP3 586 -20.960 -2.425 -8.414 0.00 0.00 SOLV ATOM 7753 OH2 TIP3 587 -24.941 -5.926 -11.185 0.00 0.00 SOLV ATOM 7754 H1 TIP3 587 -24.828 -5.060 -11.608 0.00 0.00 SOLV ATOM 7755 H2 TIP3 587 -24.296 -6.497 -11.724 0.00 0.00 SOLV ATOM 7756 OH2 TIP3 588 -28.569 12.687 -7.185 0.00 0.00 SOLV ATOM 7757 H1 TIP3 588 -28.752 12.520 -6.253 0.00 0.00 SOLV ATOM 7758 H2 TIP3 588 -28.744 13.630 -7.299 0.00 0.00 SOLV ATOM 7759 OH2 TIP3 589 -32.095 7.177 4.301 0.00 0.00 SOLV ATOM 7760 H1 TIP3 589 -32.343 6.223 4.413 0.00 0.00 SOLV ATOM 7761 H2 TIP3 589 -32.127 7.335 3.342 0.00 0.00 SOLV ATOM 7762 OH2 TIP3 590 -29.239 4.445 -7.373 0.00 0.00 SOLV ATOM 7763 H1 TIP3 590 -28.584 3.770 -7.680 0.00 0.00 SOLV ATOM 7764 H2 TIP3 590 -29.513 4.828 -8.169 0.00 0.00 SOLV ATOM 7765 OH2 TIP3 591 -6.885 22.602 12.028 0.00 0.00 SOLV ATOM 7766 H1 TIP3 591 -7.207 22.914 11.173 0.00 0.00 SOLV ATOM 7767 H2 TIP3 591 -6.067 23.125 12.091 0.00 0.00 SOLV ATOM 7768 OH2 TIP3 592 -29.680 -5.901 4.036 0.00 0.00 SOLV ATOM 7769 H1 TIP3 592 -29.634 -6.177 3.101 0.00 0.00 SOLV ATOM 7770 H2 TIP3 592 -30.554 -5.609 4.186 0.00 0.00 SOLV ATOM 7771 OH2 TIP3 593 -11.510 25.483 0.945 0.00 0.00 SOLV ATOM 7772 H1 TIP3 593 -11.334 25.024 0.080 0.00 0.00 SOLV ATOM 7773 H2 TIP3 593 -11.527 24.808 1.641 0.00 0.00 SOLV ATOM 7774 OH2 TIP3 594 -23.385 13.067 -22.215 0.00 0.00 SOLV ATOM 7775 H1 TIP3 594 -22.938 12.513 -22.828 0.00 0.00 SOLV ATOM 7776 H2 TIP3 594 -22.672 13.735 -21.974 0.00 0.00 SOLV ATOM 7777 OH2 TIP3 595 -25.330 12.038 -27.649 0.00 0.00 SOLV ATOM 7778 H1 TIP3 595 -25.510 12.365 -28.543 0.00 0.00 SOLV ATOM 7779 H2 TIP3 595 -25.674 12.703 -27.023 0.00 0.00 SOLV ATOM 7780 OH2 TIP3 596 -19.037 4.543 -21.851 0.00 0.00 SOLV ATOM 7781 H1 TIP3 596 -19.792 3.948 -21.975 0.00 0.00 SOLV ATOM 7782 H2 TIP3 596 -19.389 5.097 -21.112 0.00 0.00 SOLV ATOM 7783 OH2 TIP3 597 -6.869 27.000 -19.701 0.00 0.00 SOLV ATOM 7784 H1 TIP3 597 -7.648 27.082 -20.246 0.00 0.00 SOLV ATOM 7785 H2 TIP3 597 -7.006 26.129 -19.306 0.00 0.00 SOLV ATOM 7786 OH2 TIP3 598 -28.737 3.682 -0.104 0.00 0.00 SOLV ATOM 7787 H1 TIP3 598 -27.772 3.827 -0.447 0.00 0.00 SOLV ATOM 7788 H2 TIP3 598 -28.967 4.542 0.311 0.00 0.00 SOLV ATOM 7789 OH2 TIP3 599 -28.650 11.349 6.311 0.00 0.00 SOLV ATOM 7790 H1 TIP3 599 -29.220 10.617 6.260 0.00 0.00 SOLV ATOM 7791 H2 TIP3 599 -29.269 12.087 6.100 0.00 0.00 SOLV ATOM 7792 OH2 TIP3 600 -38.081 -0.577 3.789 0.00 0.00 SOLV ATOM 7793 H1 TIP3 600 -38.787 -0.716 3.135 0.00 0.00 SOLV ATOM 7794 H2 TIP3 600 -37.375 -1.261 3.558 0.00 0.00 SOLV ATOM 7795 OH2 TIP3 601 -18.420 16.933 13.359 0.00 0.00 SOLV ATOM 7796 H1 TIP3 601 -18.728 16.826 12.426 0.00 0.00 SOLV ATOM 7797 H2 TIP3 601 -19.177 16.620 13.866 0.00 0.00 SOLV ATOM 7798 OH2 TIP3 602 -32.609 4.629 5.662 0.00 0.00 SOLV ATOM 7799 H1 TIP3 602 -32.598 3.697 5.751 0.00 0.00 SOLV ATOM 7800 H2 TIP3 602 -32.533 4.972 6.610 0.00 0.00 SOLV ATOM 7801 OH2 TIP3 603 -27.186 16.149 -20.364 0.00 0.00 SOLV ATOM 7802 H1 TIP3 603 -27.931 16.128 -19.745 0.00 0.00 SOLV ATOM 7803 H2 TIP3 603 -26.408 16.067 -19.828 0.00 0.00 SOLV ATOM 7804 OH2 TIP3 604 -21.335 -0.876 -32.496 0.00 0.00 SOLV ATOM 7805 H1 TIP3 604 -21.147 -1.799 -32.832 0.00 0.00 SOLV ATOM 7806 H2 TIP3 604 -21.475 -1.068 -31.555 0.00 0.00 SOLV ATOM 7807 OH2 TIP3 605 -24.906 11.053 -21.311 0.00 0.00 SOLV ATOM 7808 H1 TIP3 605 -24.789 10.594 -22.183 0.00 0.00 SOLV ATOM 7809 H2 TIP3 605 -24.647 11.926 -21.519 0.00 0.00 SOLV ATOM 7810 OH2 TIP3 606 -25.394 15.772 -23.529 0.00 0.00 SOLV ATOM 7811 H1 TIP3 606 -24.954 15.458 -22.698 0.00 0.00 SOLV ATOM 7812 H2 TIP3 606 -26.300 15.317 -23.504 0.00 0.00 SOLV ATOM 7813 OH2 TIP3 607 -20.364 15.170 -19.644 0.00 0.00 SOLV ATOM 7814 H1 TIP3 607 -20.874 15.950 -19.695 0.00 0.00 SOLV ATOM 7815 H2 TIP3 607 -19.448 15.438 -19.724 0.00 0.00 SOLV ATOM 7816 OH2 TIP3 608 -30.350 7.247 -7.801 0.00 0.00 SOLV ATOM 7817 H1 TIP3 608 -30.572 8.151 -8.162 0.00 0.00 SOLV ATOM 7818 H2 TIP3 608 -29.380 7.251 -7.825 0.00 0.00 SOLV ATOM 7819 OH2 TIP3 609 -24.863 12.617 -13.709 0.00 0.00 SOLV ATOM 7820 H1 TIP3 609 -23.971 12.862 -13.257 0.00 0.00 SOLV ATOM 7821 H2 TIP3 609 -24.557 11.919 -14.369 0.00 0.00 SOLV ATOM 7822 OH2 TIP3 610 -31.500 0.675 3.771 0.00 0.00 SOLV ATOM 7823 H1 TIP3 610 -31.037 1.034 4.526 0.00 0.00 SOLV ATOM 7824 H2 TIP3 610 -32.416 1.051 3.844 0.00 0.00 SOLV ATOM 7825 OH2 TIP3 611 -31.023 10.944 -1.173 0.00 0.00 SOLV ATOM 7826 H1 TIP3 611 -30.161 10.545 -1.227 0.00 0.00 SOLV ATOM 7827 H2 TIP3 611 -30.996 11.290 -0.292 0.00 0.00 SOLV ATOM 7828 OH2 TIP3 612 -21.905 -9.151 -11.268 0.00 0.00 SOLV ATOM 7829 H1 TIP3 612 -21.642 -8.215 -11.168 0.00 0.00 SOLV ATOM 7830 H2 TIP3 612 -21.054 -9.676 -11.058 0.00 0.00 SOLV ATOM 7831 OH2 TIP3 613 -22.267 11.288 -27.392 0.00 0.00 SOLV ATOM 7832 H1 TIP3 613 -22.741 11.887 -27.999 0.00 0.00 SOLV ATOM 7833 H2 TIP3 613 -21.447 11.754 -27.304 0.00 0.00 SOLV ATOM 7834 OH2 TIP3 614 -29.073 9.570 -4.041 0.00 0.00 SOLV ATOM 7835 H1 TIP3 614 -29.730 9.037 -4.465 0.00 0.00 SOLV ATOM 7836 H2 TIP3 614 -29.076 9.309 -3.065 0.00 0.00 SOLV ATOM 7837 OH2 TIP3 615 -9.525 4.240 -30.788 0.00 0.00 SOLV ATOM 7838 H1 TIP3 615 -9.810 3.341 -31.010 0.00 0.00 SOLV ATOM 7839 H2 TIP3 615 -9.515 4.318 -29.846 0.00 0.00 SOLV ATOM 7840 OH2 TIP3 616 -18.336 -6.196 -7.792 0.00 0.00 SOLV ATOM 7841 H1 TIP3 616 -19.247 -6.448 -7.664 0.00 0.00 SOLV ATOM 7842 H2 TIP3 616 -17.936 -6.261 -6.887 0.00 0.00 SOLV ATOM 7843 OH2 TIP3 617 -24.772 -3.108 5.457 0.00 0.00 SOLV ATOM 7844 H1 TIP3 617 -25.317 -3.950 5.284 0.00 0.00 SOLV ATOM 7845 H2 TIP3 617 -25.523 -2.484 5.497 0.00 0.00 SOLV ATOM 7846 OH2 TIP3 618 -29.273 0.599 8.581 0.00 0.00 SOLV ATOM 7847 H1 TIP3 618 -29.412 -0.407 8.592 0.00 0.00 SOLV ATOM 7848 H2 TIP3 618 -29.549 0.855 9.489 0.00 0.00 SOLV ATOM 7849 OH2 TIP3 619 -20.989 5.649 -27.871 0.00 0.00 SOLV ATOM 7850 H1 TIP3 619 -20.165 5.824 -27.391 0.00 0.00 SOLV ATOM 7851 H2 TIP3 619 -20.906 6.315 -28.558 0.00 0.00 SOLV ATOM 7852 OH2 TIP3 620 -26.116 16.340 -11.851 0.00 0.00 SOLV ATOM 7853 H1 TIP3 620 -25.280 16.728 -12.059 0.00 0.00 SOLV ATOM 7854 H2 TIP3 620 -26.330 15.662 -12.522 0.00 0.00 SOLV ATOM 7855 OH2 TIP3 621 -16.709 18.123 2.270 0.00 0.00 SOLV ATOM 7856 H1 TIP3 621 -16.924 17.300 1.767 0.00 0.00 SOLV ATOM 7857 H2 TIP3 621 -17.399 18.114 3.000 0.00 0.00 SOLV ATOM 7858 OH2 TIP3 622 -24.353 8.747 -16.818 0.00 0.00 SOLV ATOM 7859 H1 TIP3 622 -24.766 9.258 -17.563 0.00 0.00 SOLV ATOM 7860 H2 TIP3 622 -24.590 7.834 -17.034 0.00 0.00 SOLV ATOM 7861 OH2 TIP3 623 -24.635 -28.267 7.341 0.00 0.00 SOLV ATOM 7862 H1 TIP3 623 -24.068 -27.586 6.898 0.00 0.00 SOLV ATOM 7863 H2 TIP3 623 -24.240 -28.183 8.195 0.00 0.00 SOLV ATOM 7864 OH2 TIP3 624 -15.902 15.999 -28.397 0.00 0.00 SOLV ATOM 7865 H1 TIP3 624 -15.821 17.003 -28.381 0.00 0.00 SOLV ATOM 7866 H2 TIP3 624 -15.081 15.667 -28.766 0.00 0.00 SOLV ATOM 7867 OH2 TIP3 625 -12.403 -26.591 -19.125 0.00 0.00 SOLV ATOM 7868 H1 TIP3 625 -12.911 -26.581 -18.313 0.00 0.00 SOLV ATOM 7869 H2 TIP3 625 -12.299 -27.565 -19.201 0.00 0.00 SOLV ATOM 7870 OH2 TIP3 626 -18.764 -27.069 -4.822 0.00 0.00 SOLV ATOM 7871 H1 TIP3 626 -19.177 -26.396 -5.386 0.00 0.00 SOLV ATOM 7872 H2 TIP3 626 -17.944 -27.247 -5.338 0.00 0.00 SOLV ATOM 7873 OH2 TIP3 627 -16.733 -29.890 -9.062 0.00 0.00 SOLV ATOM 7874 H1 TIP3 627 -16.388 -29.222 -9.632 0.00 0.00 SOLV ATOM 7875 H2 TIP3 627 -15.994 -30.565 -9.047 0.00 0.00 SOLV ATOM 7876 OH2 TIP3 628 -16.056 -34.032 4.944 0.00 0.00 SOLV ATOM 7877 H1 TIP3 628 -16.970 -34.254 5.060 0.00 0.00 SOLV ATOM 7878 H2 TIP3 628 -15.567 -34.831 4.820 0.00 0.00 SOLV ATOM 7879 OH2 TIP3 629 -6.976 -21.263 -32.993 0.00 0.00 SOLV ATOM 7880 H1 TIP3 629 -6.385 -21.979 -32.914 0.00 0.00 SOLV ATOM 7881 H2 TIP3 629 -6.411 -20.447 -33.150 0.00 0.00 SOLV ATOM 7882 OH2 TIP3 630 -26.911 4.913 -5.597 0.00 0.00 SOLV ATOM 7883 H1 TIP3 630 -27.144 4.109 -5.157 0.00 0.00 SOLV ATOM 7884 H2 TIP3 630 -27.639 5.434 -5.432 0.00 0.00 SOLV ATOM 7885 OH2 TIP3 631 -22.219 -27.777 -15.699 0.00 0.00 SOLV ATOM 7886 H1 TIP3 631 -22.584 -27.133 -15.090 0.00 0.00 SOLV ATOM 7887 H2 TIP3 631 -22.898 -28.411 -15.757 0.00 0.00 SOLV ATOM 7888 OH2 TIP3 632 -15.538 -24.009 -8.527 0.00 0.00 SOLV ATOM 7889 H1 TIP3 632 -15.376 -24.181 -7.580 0.00 0.00 SOLV ATOM 7890 H2 TIP3 632 -15.179 -24.828 -8.959 0.00 0.00 SOLV ATOM 7891 OH2 TIP3 633 -21.228 -22.850 -7.537 0.00 0.00 SOLV ATOM 7892 H1 TIP3 633 -20.786 -22.002 -7.467 0.00 0.00 SOLV ATOM 7893 H2 TIP3 633 -21.761 -22.740 -8.304 0.00 0.00 SOLV ATOM 7894 OH2 TIP3 634 -8.116 -20.936 -27.351 0.00 0.00 SOLV ATOM 7895 H1 TIP3 634 -7.369 -20.527 -26.869 0.00 0.00 SOLV ATOM 7896 H2 TIP3 634 -7.699 -21.219 -28.134 0.00 0.00 SOLV ATOM 7897 OH2 TIP3 635 -18.211 -17.707 -15.710 0.00 0.00 SOLV ATOM 7898 H1 TIP3 635 -18.829 -18.474 -15.815 0.00 0.00 SOLV ATOM 7899 H2 TIP3 635 -17.620 -18.002 -15.037 0.00 0.00 SOLV ATOM 7900 OH2 TIP3 636 -23.125 -22.775 -14.135 0.00 0.00 SOLV ATOM 7901 H1 TIP3 636 -22.998 -22.283 -14.972 0.00 0.00 SOLV ATOM 7902 H2 TIP3 636 -24.122 -22.641 -13.916 0.00 0.00 SOLV ATOM 7903 OH2 TIP3 637 -20.525 -14.676 -9.611 0.00 0.00 SOLV ATOM 7904 H1 TIP3 637 -20.377 -14.511 -10.522 0.00 0.00 SOLV ATOM 7905 H2 TIP3 637 -21.377 -14.154 -9.370 0.00 0.00 SOLV ATOM 7906 OH2 TIP3 638 -19.812 -8.980 -4.202 0.00 0.00 SOLV ATOM 7907 H1 TIP3 638 -19.948 -9.798 -4.712 0.00 0.00 SOLV ATOM 7908 H2 TIP3 638 -20.723 -8.606 -4.157 0.00 0.00 SOLV ATOM 7909 OH2 TIP3 639 -21.498 -17.042 -16.541 0.00 0.00 SOLV ATOM 7910 H1 TIP3 639 -20.841 -17.768 -16.650 0.00 0.00 SOLV ATOM 7911 H2 TIP3 639 -21.329 -16.469 -17.290 0.00 0.00 SOLV ATOM 7912 OH2 TIP3 640 -1.161 -24.486 -0.870 0.00 0.00 SOLV ATOM 7913 H1 TIP3 640 -1.588 -24.507 -1.702 0.00 0.00 SOLV ATOM 7914 H2 TIP3 640 -1.849 -24.197 -0.253 0.00 0.00 SOLV ATOM 7915 OH2 TIP3 641 -16.947 -23.677 -21.445 0.00 0.00 SOLV ATOM 7916 H1 TIP3 641 -17.222 -24.235 -20.745 0.00 0.00 SOLV ATOM 7917 H2 TIP3 641 -17.462 -23.917 -22.207 0.00 0.00 SOLV ATOM 7918 OH2 TIP3 642 -9.683 -10.704 8.099 0.00 0.00 SOLV ATOM 7919 H1 TIP3 642 -9.308 -11.569 7.839 0.00 0.00 SOLV ATOM 7920 H2 TIP3 642 -10.496 -10.681 7.544 0.00 0.00 SOLV ATOM 7921 OH2 TIP3 643 -3.648 -26.809 1.570 0.00 0.00 SOLV ATOM 7922 H1 TIP3 643 -4.499 -26.376 1.685 0.00 0.00 SOLV ATOM 7923 H2 TIP3 643 -3.169 -26.042 1.342 0.00 0.00 SOLV ATOM 7924 OH2 TIP3 644 -12.118 -8.041 -10.131 0.00 0.00 SOLV ATOM 7925 H1 TIP3 644 -11.589 -7.698 -10.911 0.00 0.00 SOLV ATOM 7926 H2 TIP3 644 -11.934 -8.983 -10.241 0.00 0.00 SOLV ATOM 7927 OH2 TIP3 645 -19.602 -25.055 -13.604 0.00 0.00 SOLV ATOM 7928 H1 TIP3 645 -19.492 -24.138 -13.662 0.00 0.00 SOLV ATOM 7929 H2 TIP3 645 -20.253 -25.246 -12.926 0.00 0.00 SOLV ATOM 7930 OH2 TIP3 646 -25.074 -25.274 -11.947 0.00 0.00 SOLV ATOM 7931 H1 TIP3 646 -25.667 -24.539 -12.126 0.00 0.00 SOLV ATOM 7932 H2 TIP3 646 -25.459 -25.626 -11.134 0.00 0.00 SOLV ATOM 7933 OH2 TIP3 647 -5.903 -25.288 2.609 0.00 0.00 SOLV ATOM 7934 H1 TIP3 647 -6.764 -24.877 2.603 0.00 0.00 SOLV ATOM 7935 H2 TIP3 647 -5.897 -25.768 3.428 0.00 0.00 SOLV ATOM 7936 OH2 TIP3 648 -15.429 -24.061 3.604 0.00 0.00 SOLV ATOM 7937 H1 TIP3 648 -14.693 -24.127 4.283 0.00 0.00 SOLV ATOM 7938 H2 TIP3 648 -16.152 -24.434 4.105 0.00 0.00 SOLV ATOM 7939 OH2 TIP3 649 -27.196 -13.691 2.058 0.00 0.00 SOLV ATOM 7940 H1 TIP3 649 -26.691 -14.354 1.461 0.00 0.00 SOLV ATOM 7941 H2 TIP3 649 -27.203 -12.857 1.544 0.00 0.00 SOLV ATOM 7942 OH2 TIP3 650 -16.320 -7.884 -42.993 0.00 0.00 SOLV ATOM 7943 H1 TIP3 650 -17.089 -7.985 -42.400 0.00 0.00 SOLV ATOM 7944 H2 TIP3 650 -16.572 -8.365 -43.759 0.00 0.00 SOLV ATOM 7945 OH2 TIP3 651 -3.409 -10.653 -37.075 0.00 0.00 SOLV ATOM 7946 H1 TIP3 651 -4.089 -11.132 -37.532 0.00 0.00 SOLV ATOM 7947 H2 TIP3 651 -2.764 -10.543 -37.811 0.00 0.00 SOLV ATOM 7948 OH2 TIP3 652 -11.658 -19.055 -14.538 0.00 0.00 SOLV ATOM 7949 H1 TIP3 652 -11.088 -18.544 -13.952 0.00 0.00 SOLV ATOM 7950 H2 TIP3 652 -11.457 -18.659 -15.359 0.00 0.00 SOLV ATOM 7951 OH2 TIP3 653 -13.646 -16.899 -4.081 0.00 0.00 SOLV ATOM 7952 H1 TIP3 653 -13.681 -17.503 -4.871 0.00 0.00 SOLV ATOM 7953 H2 TIP3 653 -13.581 -16.074 -4.551 0.00 0.00 SOLV ATOM 7954 OH2 TIP3 654 -14.402 -26.366 -16.052 0.00 0.00 SOLV ATOM 7955 H1 TIP3 654 -14.459 -25.560 -16.549 0.00 0.00 SOLV ATOM 7956 H2 TIP3 654 -15.286 -26.826 -16.115 0.00 0.00 SOLV ATOM 7957 OH2 TIP3 655 -11.338 -18.046 -23.561 0.00 0.00 SOLV ATOM 7958 H1 TIP3 655 -11.337 -18.083 -22.583 0.00 0.00 SOLV ATOM 7959 H2 TIP3 655 -11.245 -17.113 -23.802 0.00 0.00 SOLV ATOM 7960 OH2 TIP3 656 -27.116 -18.420 -15.537 0.00 0.00 SOLV ATOM 7961 H1 TIP3 656 -26.417 -18.885 -15.027 0.00 0.00 SOLV ATOM 7962 H2 TIP3 656 -26.571 -17.785 -16.051 0.00 0.00 SOLV ATOM 7963 OH2 TIP3 657 -16.891 -22.304 -1.446 0.00 0.00 SOLV ATOM 7964 H1 TIP3 657 -16.329 -22.641 -0.725 0.00 0.00 SOLV ATOM 7965 H2 TIP3 657 -16.305 -21.595 -1.758 0.00 0.00 SOLV ATOM 7966 OH2 TIP3 658 -24.867 10.116 1.860 0.00 0.00 SOLV ATOM 7967 H1 TIP3 658 -24.687 9.527 2.557 0.00 0.00 SOLV ATOM 7968 H2 TIP3 658 -25.262 10.859 2.349 0.00 0.00 SOLV ATOM 7969 OH2 TIP3 659 -15.667 -19.427 3.867 0.00 0.00 SOLV ATOM 7970 H1 TIP3 659 -15.296 -19.723 3.066 0.00 0.00 SOLV ATOM 7971 H2 TIP3 659 -16.643 -19.298 3.621 0.00 0.00 SOLV ATOM 7972 OH2 TIP3 660 -15.539 -11.842 -42.472 0.00 0.00 SOLV ATOM 7973 H1 TIP3 660 -16.057 -12.361 -43.094 0.00 0.00 SOLV ATOM 7974 H2 TIP3 660 -16.124 -11.783 -41.746 0.00 0.00 SOLV ATOM 7975 OH2 TIP3 661 -16.132 -24.608 -14.315 0.00 0.00 SOLV ATOM 7976 H1 TIP3 661 -16.947 -25.048 -14.520 0.00 0.00 SOLV ATOM 7977 H2 TIP3 661 -15.552 -25.310 -13.966 0.00 0.00 SOLV ATOM 7978 OH2 TIP3 662 -18.466 -11.000 -22.636 0.00 0.00 SOLV ATOM 7979 H1 TIP3 662 -19.456 -11.050 -22.722 0.00 0.00 SOLV ATOM 7980 H2 TIP3 662 -18.320 -10.290 -21.970 0.00 0.00 SOLV ATOM 7981 OH2 TIP3 663 7.628 7.645 3.579 0.00 0.00 SOLV ATOM 7982 H1 TIP3 663 8.048 7.793 2.665 0.00 0.00 SOLV ATOM 7983 H2 TIP3 663 7.227 6.798 3.479 0.00 0.00 SOLV ATOM 7984 OH2 TIP3 664 -22.035 -16.256 -6.020 0.00 0.00 SOLV ATOM 7985 H1 TIP3 664 -21.270 -16.053 -6.546 0.00 0.00 SOLV ATOM 7986 H2 TIP3 664 -22.236 -15.441 -5.579 0.00 0.00 SOLV ATOM 7987 OH2 TIP3 665 -21.720 -19.708 -9.892 0.00 0.00 SOLV ATOM 7988 H1 TIP3 665 -22.046 -20.349 -10.514 0.00 0.00 SOLV ATOM 7989 H2 TIP3 665 -20.817 -19.661 -10.104 0.00 0.00 SOLV ATOM 7990 OH2 TIP3 666 -25.223 -16.821 -16.719 0.00 0.00 SOLV ATOM 7991 H1 TIP3 666 -24.838 -16.588 -17.569 0.00 0.00 SOLV ATOM 7992 H2 TIP3 666 -24.747 -16.234 -16.077 0.00 0.00 SOLV ATOM 7993 OH2 TIP3 667 -19.923 -14.371 -30.605 0.00 0.00 SOLV ATOM 7994 H1 TIP3 667 -19.952 -13.621 -31.229 0.00 0.00 SOLV ATOM 7995 H2 TIP3 667 -20.541 -15.056 -31.070 0.00 0.00 SOLV ATOM 7996 OH2 TIP3 668 -20.632 -3.386 -34.173 0.00 0.00 SOLV ATOM 7997 H1 TIP3 668 -19.693 -3.619 -34.024 0.00 0.00 SOLV ATOM 7998 H2 TIP3 668 -20.560 -2.550 -34.642 0.00 0.00 SOLV ATOM 7999 OH2 TIP3 669 -19.326 -13.788 -27.864 0.00 0.00 SOLV ATOM 8000 H1 TIP3 669 -19.654 -14.068 -28.708 0.00 0.00 SOLV ATOM 8001 H2 TIP3 669 -19.249 -14.557 -27.337 0.00 0.00 SOLV ATOM 8002 OH2 TIP3 670 -22.764 -22.859 -9.814 0.00 0.00 SOLV ATOM 8003 H1 TIP3 670 -22.269 -22.442 -10.536 0.00 0.00 SOLV ATOM 8004 H2 TIP3 670 -23.482 -22.200 -9.639 0.00 0.00 SOLV ATOM 8005 OH2 TIP3 671 -19.689 -7.292 -12.475 0.00 0.00 SOLV ATOM 8006 H1 TIP3 671 -20.200 -7.566 -13.258 0.00 0.00 SOLV ATOM 8007 H2 TIP3 671 -18.813 -7.202 -12.853 0.00 0.00 SOLV ATOM 8008 OH2 TIP3 672 -28.554 -6.644 -11.954 0.00 0.00 SOLV ATOM 8009 H1 TIP3 672 -28.271 -6.037 -12.648 0.00 0.00 SOLV ATOM 8010 H2 TIP3 672 -29.289 -7.171 -12.313 0.00 0.00 SOLV ATOM 8011 OH2 TIP3 673 -25.887 -22.372 -13.268 0.00 0.00 SOLV ATOM 8012 H1 TIP3 673 -26.093 -22.303 -12.346 0.00 0.00 SOLV ATOM 8013 H2 TIP3 673 -26.724 -22.025 -13.717 0.00 0.00 SOLV ATOM 8014 OH2 TIP3 674 -28.021 -13.242 -2.627 0.00 0.00 SOLV ATOM 8015 H1 TIP3 674 -28.596 -12.765 -1.960 0.00 0.00 SOLV ATOM 8016 H2 TIP3 674 -27.388 -13.652 -2.036 0.00 0.00 SOLV ATOM 8017 OH2 TIP3 675 -18.484 -3.647 -43.998 0.00 0.00 SOLV ATOM 8018 H1 TIP3 675 -18.760 -2.798 -43.812 0.00 0.00 SOLV ATOM 8019 H2 TIP3 675 -17.669 -3.776 -43.409 0.00 0.00 SOLV ATOM 8020 OH2 TIP3 676 -10.624 -12.984 -39.679 0.00 0.00 SOLV ATOM 8021 H1 TIP3 676 -10.458 -13.813 -40.116 0.00 0.00 SOLV ATOM 8022 H2 TIP3 676 -11.510 -12.926 -39.908 0.00 0.00 SOLV ATOM 8023 OH2 TIP3 677 -19.681 -27.007 -21.722 0.00 0.00 SOLV ATOM 8024 H1 TIP3 677 -19.374 -27.891 -22.188 0.00 0.00 SOLV ATOM 8025 H2 TIP3 677 -18.870 -26.449 -21.630 0.00 0.00 SOLV ATOM 8026 OH2 TIP3 678 -20.618 -10.249 -29.516 0.00 0.00 SOLV ATOM 8027 H1 TIP3 678 -20.440 -10.823 -30.323 0.00 0.00 SOLV ATOM 8028 H2 TIP3 678 -19.800 -9.679 -29.452 0.00 0.00 SOLV ATOM 8029 OH2 TIP3 679 -25.212 2.490 -23.031 0.00 0.00 SOLV ATOM 8030 H1 TIP3 679 -25.394 1.951 -23.773 0.00 0.00 SOLV ATOM 8031 H2 TIP3 679 -26.018 3.108 -23.057 0.00 0.00 SOLV ATOM 8032 OH2 TIP3 680 -25.221 -19.553 -13.578 0.00 0.00 SOLV ATOM 8033 H1 TIP3 680 -24.990 -20.392 -13.173 0.00 0.00 SOLV ATOM 8034 H2 TIP3 680 -24.384 -19.265 -14.028 0.00 0.00 SOLV ATOM 8035 OH2 TIP3 681 -17.903 -10.036 13.242 0.00 0.00 SOLV ATOM 8036 H1 TIP3 681 -18.192 -10.966 13.471 0.00 0.00 SOLV ATOM 8037 H2 TIP3 681 -18.564 -9.436 13.693 0.00 0.00 SOLV ATOM 8038 OH2 TIP3 682 -17.058 -12.979 -24.020 0.00 0.00 SOLV ATOM 8039 H1 TIP3 682 -17.622 -12.524 -23.370 0.00 0.00 SOLV ATOM 8040 H2 TIP3 682 -17.512 -13.777 -24.159 0.00 0.00 SOLV ATOM 8041 OH2 TIP3 683 -17.368 -12.030 -0.946 0.00 0.00 SOLV ATOM 8042 H1 TIP3 683 -18.124 -11.640 -1.414 0.00 0.00 SOLV ATOM 8043 H2 TIP3 683 -17.732 -12.769 -0.481 0.00 0.00 SOLV ATOM 8044 OH2 TIP3 684 -25.022 1.684 8.611 0.00 0.00 SOLV ATOM 8045 H1 TIP3 684 -24.899 2.571 8.233 0.00 0.00 SOLV ATOM 8046 H2 TIP3 684 -25.368 1.758 9.532 0.00 0.00 SOLV ATOM 8047 OH2 TIP3 685 -0.029 0.575 -45.061 0.00 0.00 SOLV ATOM 8048 H1 TIP3 685 -0.316 0.420 -44.206 0.00 0.00 SOLV ATOM 8049 H2 TIP3 685 -0.758 1.092 -45.381 0.00 0.00 SOLV ATOM 8050 OH2 TIP3 686 -12.505 -22.359 -18.879 0.00 0.00 SOLV ATOM 8051 H1 TIP3 686 -12.992 -21.592 -18.629 0.00 0.00 SOLV ATOM 8052 H2 TIP3 686 -12.403 -22.220 -19.868 0.00 0.00 SOLV ATOM 8053 OH2 TIP3 687 -17.083 0.068 -44.068 0.00 0.00 SOLV ATOM 8054 H1 TIP3 687 -16.574 0.250 -44.913 0.00 0.00 SOLV ATOM 8055 H2 TIP3 687 -16.494 0.317 -43.311 0.00 0.00 SOLV ATOM 8056 OH2 TIP3 688 -26.592 -10.005 -21.278 0.00 0.00 SOLV ATOM 8057 H1 TIP3 688 -27.204 -9.293 -21.494 0.00 0.00 SOLV ATOM 8058 H2 TIP3 688 -27.168 -10.769 -21.302 0.00 0.00 SOLV ATOM 8059 OH2 TIP3 689 -26.756 -3.457 8.412 0.00 0.00 SOLV ATOM 8060 H1 TIP3 689 -27.666 -3.100 8.306 0.00 0.00 SOLV ATOM 8061 H2 TIP3 689 -26.235 -2.645 8.446 0.00 0.00 SOLV ATOM 8062 OH2 TIP3 690 8.199 -24.983 31.905 0.00 0.00 SOLV ATOM 8063 H1 TIP3 690 7.636 -25.485 32.535 0.00 0.00 SOLV ATOM 8064 H2 TIP3 690 8.952 -24.847 32.505 0.00 0.00 SOLV ATOM 8065 OH2 TIP3 691 -19.733 -16.508 1.242 0.00 0.00 SOLV ATOM 8066 H1 TIP3 691 -20.707 -16.656 1.233 0.00 0.00 SOLV ATOM 8067 H2 TIP3 691 -19.481 -17.082 0.393 0.00 0.00 SOLV ATOM 8068 OH2 TIP3 692 -31.219 1.961 6.467 0.00 0.00 SOLV ATOM 8069 H1 TIP3 692 -30.655 1.768 7.203 0.00 0.00 SOLV ATOM 8070 H2 TIP3 692 -31.948 1.313 6.623 0.00 0.00 SOLV ATOM 8071 OH2 TIP3 693 -14.554 21.077 -10.423 0.00 0.00 SOLV ATOM 8072 H1 TIP3 693 -13.733 21.577 -10.482 0.00 0.00 SOLV ATOM 8073 H2 TIP3 693 -14.590 20.853 -9.513 0.00 0.00 SOLV ATOM 8074 OH2 TIP3 694 -17.661 -9.211 -24.639 0.00 0.00 SOLV ATOM 8075 H1 TIP3 694 -16.918 -9.451 -25.248 0.00 0.00 SOLV ATOM 8076 H2 TIP3 694 -17.885 -10.110 -24.220 0.00 0.00 SOLV ATOM 8077 OH2 TIP3 695 -27.821 10.504 -17.831 0.00 0.00 SOLV ATOM 8078 H1 TIP3 695 -26.999 10.678 -18.269 0.00 0.00 SOLV ATOM 8079 H2 TIP3 695 -27.844 9.562 -17.666 0.00 0.00 SOLV ATOM 8080 OH2 TIP3 696 -18.993 -2.429 -28.161 0.00 0.00 SOLV ATOM 8081 H1 TIP3 696 -19.120 -3.416 -27.896 0.00 0.00 SOLV ATOM 8082 H2 TIP3 696 -19.741 -2.311 -28.714 0.00 0.00 SOLV ATOM 8083 OH2 TIP3 697 -25.374 -2.147 -16.584 0.00 0.00 SOLV ATOM 8084 H1 TIP3 697 -24.989 -2.535 -15.744 0.00 0.00 SOLV ATOM 8085 H2 TIP3 697 -24.743 -2.378 -17.261 0.00 0.00 SOLV ATOM 8086 OH2 TIP3 698 0.904 0.465 5.631 0.00 0.00 SOLV ATOM 8087 H1 TIP3 698 0.615 -0.378 5.112 0.00 0.00 SOLV ATOM 8088 H2 TIP3 698 0.075 0.970 5.676 0.00 0.00 SOLV ATOM 8089 OH2 TIP3 699 -15.908 17.797 -20.916 0.00 0.00 SOLV ATOM 8090 H1 TIP3 699 -15.992 17.236 -21.696 0.00 0.00 SOLV ATOM 8091 H2 TIP3 699 -14.953 18.073 -20.883 0.00 0.00 SOLV ATOM 8092 OH2 TIP3 700 -23.297 -17.137 -10.514 0.00 0.00 SOLV ATOM 8093 H1 TIP3 700 -23.896 -16.736 -9.836 0.00 0.00 SOLV ATOM 8094 H2 TIP3 700 -23.290 -18.087 -10.280 0.00 0.00 SOLV ATOM 8095 OH2 TIP3 701 -32.790 -1.963 2.797 0.00 0.00 SOLV ATOM 8096 H1 TIP3 701 -33.570 -1.612 2.320 0.00 0.00 SOLV ATOM 8097 H2 TIP3 701 -32.514 -1.193 3.285 0.00 0.00 SOLV ATOM 8098 OH2 TIP3 702 -19.603 2.883 -6.310 0.00 0.00 SOLV ATOM 8099 H1 TIP3 702 -18.791 2.467 -6.059 0.00 0.00 SOLV ATOM 8100 H2 TIP3 702 -19.464 2.987 -7.230 0.00 0.00 SOLV ATOM 8101 OH2 TIP3 703 -8.277 -10.512 -44.535 0.00 0.00 SOLV ATOM 8102 H1 TIP3 703 -9.024 -10.410 -45.127 0.00 0.00 SOLV ATOM 8103 H2 TIP3 703 -7.771 -11.187 -44.991 0.00 0.00 SOLV ATOM 8104 OH2 TIP3 704 -10.802 0.297 -33.301 0.00 0.00 SOLV ATOM 8105 H1 TIP3 704 -10.803 -0.253 -34.076 0.00 0.00 SOLV ATOM 8106 H2 TIP3 704 -10.811 -0.351 -32.590 0.00 0.00 SOLV ATOM 8107 OH2 TIP3 705 -18.508 0.365 -33.127 0.00 0.00 SOLV ATOM 8108 H1 TIP3 705 -18.329 -0.011 -32.276 0.00 0.00 SOLV ATOM 8109 H2 TIP3 705 -19.152 1.072 -33.067 0.00 0.00 SOLV ATOM 8110 OH2 TIP3 706 -24.254 2.450 -19.056 0.00 0.00 SOLV ATOM 8111 H1 TIP3 706 -23.402 2.146 -19.329 0.00 0.00 SOLV ATOM 8112 H2 TIP3 706 -24.371 1.975 -18.220 0.00 0.00 SOLV ATOM 8113 OH2 TIP3 707 17.065 5.885 6.274 0.00 0.00 SOLV ATOM 8114 H1 TIP3 707 17.546 6.132 5.516 0.00 0.00 SOLV ATOM 8115 H2 TIP3 707 17.697 5.988 7.000 0.00 0.00 SOLV ATOM 8116 OH2 TIP3 708 -24.047 -10.034 -9.952 0.00 0.00 SOLV ATOM 8117 H1 TIP3 708 -23.269 -9.655 -10.405 0.00 0.00 SOLV ATOM 8118 H2 TIP3 708 -24.770 -9.504 -10.382 0.00 0.00 SOLV ATOM 8119 OH2 TIP3 709 -15.944 -1.069 -25.039 0.00 0.00 SOLV ATOM 8120 H1 TIP3 709 -16.502 -0.644 -25.669 0.00 0.00 SOLV ATOM 8121 H2 TIP3 709 -16.056 -0.575 -24.212 0.00 0.00 SOLV ATOM 8122 OH2 TIP3 710 -28.927 -8.696 -2.723 0.00 0.00 SOLV ATOM 8123 H1 TIP3 710 -28.480 -9.310 -3.333 0.00 0.00 SOLV ATOM 8124 H2 TIP3 710 -29.686 -8.497 -3.185 0.00 0.00 SOLV ATOM 8125 OH2 TIP3 711 -2.958 -15.124 -23.381 0.00 0.00 SOLV ATOM 8126 H1 TIP3 711 -2.337 -14.537 -23.000 0.00 0.00 SOLV ATOM 8127 H2 TIP3 711 -3.105 -15.661 -22.618 0.00 0.00 SOLV ATOM 8128 OH2 TIP3 712 -24.185 2.466 -4.420 0.00 0.00 SOLV ATOM 8129 H1 TIP3 712 -24.875 2.282 -3.725 0.00 0.00 SOLV ATOM 8130 H2 TIP3 712 -23.945 3.355 -4.192 0.00 0.00 SOLV ATOM 8131 OH2 TIP3 713 -27.131 -6.469 0.395 0.00 0.00 SOLV ATOM 8132 H1 TIP3 713 -27.964 -6.554 0.935 0.00 0.00 SOLV ATOM 8133 H2 TIP3 713 -26.454 -6.330 1.097 0.00 0.00 SOLV ATOM 8134 OH2 TIP3 714 -16.294 -3.748 -42.395 0.00 0.00 SOLV ATOM 8135 H1 TIP3 714 -15.775 -4.548 -42.252 0.00 0.00 SOLV ATOM 8136 H2 TIP3 714 -15.674 -3.006 -42.216 0.00 0.00 SOLV ATOM 8137 OH2 TIP3 715 -14.963 -12.614 -33.176 0.00 0.00 SOLV ATOM 8138 H1 TIP3 715 -14.046 -12.595 -32.739 0.00 0.00 SOLV ATOM 8139 H2 TIP3 715 -15.573 -12.743 -32.481 0.00 0.00 SOLV ATOM 8140 OH2 TIP3 716 -14.703 -1.910 -40.834 0.00 0.00 SOLV ATOM 8141 H1 TIP3 716 -14.186 -2.285 -40.120 0.00 0.00 SOLV ATOM 8142 H2 TIP3 716 -14.329 -1.014 -40.969 0.00 0.00 SOLV ATOM 8143 OH2 TIP3 717 -25.127 -1.477 13.659 0.00 0.00 SOLV ATOM 8144 H1 TIP3 717 -25.479 -1.686 12.722 0.00 0.00 SOLV ATOM 8145 H2 TIP3 717 -25.039 -0.502 13.651 0.00 0.00 SOLV ATOM 8146 OH2 TIP3 718 -24.987 7.136 -10.112 0.00 0.00 SOLV ATOM 8147 H1 TIP3 718 -24.966 8.133 -10.046 0.00 0.00 SOLV ATOM 8148 H2 TIP3 718 -24.046 6.890 -10.369 0.00 0.00 SOLV ATOM 8149 OH2 TIP3 719 -22.351 -7.550 -36.599 0.00 0.00 SOLV ATOM 8150 H1 TIP3 719 -21.586 -7.118 -36.914 0.00 0.00 SOLV ATOM 8151 H2 TIP3 719 -23.069 -6.880 -36.837 0.00 0.00 SOLV ATOM 8152 OH2 TIP3 720 -24.652 3.424 -9.950 0.00 0.00 SOLV ATOM 8153 H1 TIP3 720 -24.136 3.588 -9.156 0.00 0.00 SOLV ATOM 8154 H2 TIP3 720 -23.951 3.559 -10.647 0.00 0.00 SOLV ATOM 8155 OH2 TIP3 721 -13.352 1.340 -36.078 0.00 0.00 SOLV ATOM 8156 H1 TIP3 721 -12.968 2.068 -36.540 0.00 0.00 SOLV ATOM 8157 H2 TIP3 721 -13.868 1.761 -35.313 0.00 0.00 SOLV ATOM 8158 OH2 TIP3 722 -26.948 8.173 -13.672 0.00 0.00 SOLV ATOM 8159 H1 TIP3 722 -27.740 8.691 -13.539 0.00 0.00 SOLV ATOM 8160 H2 TIP3 722 -27.243 7.409 -14.234 0.00 0.00 SOLV ATOM 8161 OH2 TIP3 723 -25.643 6.343 11.885 0.00 0.00 SOLV ATOM 8162 H1 TIP3 723 -26.497 6.654 11.581 0.00 0.00 SOLV ATOM 8163 H2 TIP3 723 -25.739 5.404 11.943 0.00 0.00 SOLV ATOM 8164 OH2 TIP3 724 -23.380 -4.667 -35.578 0.00 0.00 SOLV ATOM 8165 H1 TIP3 724 -23.918 -3.887 -35.707 0.00 0.00 SOLV ATOM 8166 H2 TIP3 724 -22.512 -4.445 -35.237 0.00 0.00 SOLV ATOM 8167 OH2 TIP3 725 -1.879 -3.291 -41.986 0.00 0.00 SOLV ATOM 8168 H1 TIP3 725 -2.591 -3.387 -41.324 0.00 0.00 SOLV ATOM 8169 H2 TIP3 725 -2.369 -2.968 -42.751 0.00 0.00 SOLV ATOM 8170 OH2 TIP3 726 -16.206 5.167 -38.514 0.00 0.00 SOLV ATOM 8171 H1 TIP3 726 -15.627 5.445 -39.226 0.00 0.00 SOLV ATOM 8172 H2 TIP3 726 -15.927 5.778 -37.792 0.00 0.00 SOLV ATOM 8173 OH2 TIP3 727 15.694 12.809 -42.726 0.00 0.00 SOLV ATOM 8174 H1 TIP3 727 16.098 11.947 -42.465 0.00 0.00 SOLV ATOM 8175 H2 TIP3 727 16.370 13.294 -43.117 0.00 0.00 SOLV ATOM 8176 OH2 TIP3 728 -22.685 13.236 -12.121 0.00 0.00 SOLV ATOM 8177 H1 TIP3 728 -22.822 12.739 -11.261 0.00 0.00 SOLV ATOM 8178 H2 TIP3 728 -22.320 14.068 -11.776 0.00 0.00 SOLV ATOM 8179 OH2 TIP3 729 -21.502 0.198 -14.117 0.00 0.00 SOLV ATOM 8180 H1 TIP3 729 -20.810 -0.342 -13.809 0.00 0.00 SOLV ATOM 8181 H2 TIP3 729 -22.167 -0.006 -13.429 0.00 0.00 SOLV ATOM 8182 OH2 TIP3 730 -20.349 2.543 -1.198 0.00 0.00 SOLV ATOM 8183 H1 TIP3 730 -20.717 2.061 -1.983 0.00 0.00 SOLV ATOM 8184 H2 TIP3 730 -19.393 2.750 -1.527 0.00 0.00 SOLV ATOM 8185 OH2 TIP3 731 -26.305 9.525 -0.469 0.00 0.00 SOLV ATOM 8186 H1 TIP3 731 -25.815 9.708 0.366 0.00 0.00 SOLV ATOM 8187 H2 TIP3 731 -25.950 8.586 -0.694 0.00 0.00 SOLV ATOM 8188 OH2 TIP3 732 -27.253 -3.853 -1.061 0.00 0.00 SOLV ATOM 8189 H1 TIP3 732 -27.231 -4.714 -0.536 0.00 0.00 SOLV ATOM 8190 H2 TIP3 732 -27.390 -3.207 -0.332 0.00 0.00 SOLV ATOM 8191 OH2 TIP3 733 -22.556 -1.069 -3.417 0.00 0.00 SOLV ATOM 8192 H1 TIP3 733 -23.280 -1.116 -3.982 0.00 0.00 SOLV ATOM 8193 H2 TIP3 733 -22.378 -2.050 -3.337 0.00 0.00 SOLV ATOM 8194 OH2 TIP3 734 -17.353 -1.510 -40.623 0.00 0.00 SOLV ATOM 8195 H1 TIP3 734 -16.400 -1.637 -40.631 0.00 0.00 SOLV ATOM 8196 H2 TIP3 734 -17.575 -1.310 -39.664 0.00 0.00 SOLV ATOM 8197 OH2 TIP3 735 -16.493 11.661 -31.613 0.00 0.00 SOLV ATOM 8198 H1 TIP3 735 -16.727 10.739 -31.909 0.00 0.00 SOLV ATOM 8199 H2 TIP3 735 -16.433 12.047 -32.512 0.00 0.00 SOLV ATOM 8200 OH2 TIP3 736 -20.935 2.870 -37.459 0.00 0.00 SOLV ATOM 8201 H1 TIP3 736 -19.927 2.918 -37.360 0.00 0.00 SOLV ATOM 8202 H2 TIP3 736 -21.076 2.103 -38.016 0.00 0.00 SOLV ATOM 8203 OH2 TIP3 737 -19.023 -1.121 -42.689 0.00 0.00 SOLV ATOM 8204 H1 TIP3 737 -18.324 -1.444 -42.016 0.00 0.00 SOLV ATOM 8205 H2 TIP3 737 -18.576 -0.541 -43.355 0.00 0.00 SOLV ATOM 8206 OH2 TIP3 738 -8.411 20.666 13.372 0.00 0.00 SOLV ATOM 8207 H1 TIP3 738 -7.726 20.247 13.932 0.00 0.00 SOLV ATOM 8208 H2 TIP3 738 -7.940 21.307 12.836 0.00 0.00 SOLV ATOM 8209 OH2 TIP3 739 -12.483 0.656 -26.305 0.00 0.00 SOLV ATOM 8210 H1 TIP3 739 -12.276 -0.222 -25.850 0.00 0.00 SOLV ATOM 8211 H2 TIP3 739 -11.722 0.740 -26.960 0.00 0.00 SOLV ATOM 8212 OH2 TIP3 740 -27.365 -0.309 -5.351 0.00 0.00 SOLV ATOM 8213 H1 TIP3 740 -27.864 -0.115 -4.546 0.00 0.00 SOLV ATOM 8214 H2 TIP3 740 -28.098 -0.533 -5.962 0.00 0.00 SOLV ATOM 8215 OH2 TIP3 741 -19.194 -2.130 -16.401 0.00 0.00 SOLV ATOM 8216 H1 TIP3 741 -18.670 -2.396 -17.161 0.00 0.00 SOLV ATOM 8217 H2 TIP3 741 -19.820 -2.858 -16.279 0.00 0.00 SOLV ATOM 8218 OH2 TIP3 742 -27.084 13.644 6.607 0.00 0.00 SOLV ATOM 8219 H1 TIP3 742 -27.673 12.849 6.594 0.00 0.00 SOLV ATOM 8220 H2 TIP3 742 -27.440 14.184 7.256 0.00 0.00 SOLV ATOM 8221 OH2 TIP3 743 -31.576 13.257 -2.651 0.00 0.00 SOLV ATOM 8222 H1 TIP3 743 -32.300 12.818 -3.038 0.00 0.00 SOLV ATOM 8223 H2 TIP3 743 -31.047 12.537 -2.231 0.00 0.00 SOLV ATOM 8224 OH2 TIP3 744 -19.547 2.576 -40.562 0.00 0.00 SOLV ATOM 8225 H1 TIP3 744 -20.336 2.205 -40.987 0.00 0.00 SOLV ATOM 8226 H2 TIP3 744 -19.445 3.497 -41.003 0.00 0.00 SOLV ATOM 8227 OH2 TIP3 745 -24.131 8.145 5.258 0.00 0.00 SOLV ATOM 8228 H1 TIP3 745 -23.679 7.407 5.778 0.00 0.00 SOLV ATOM 8229 H2 TIP3 745 -24.324 7.651 4.421 0.00 0.00 SOLV ATOM 8230 OH2 TIP3 746 -22.149 1.408 -33.803 0.00 0.00 SOLV ATOM 8231 H1 TIP3 746 -21.414 2.056 -33.685 0.00 0.00 SOLV ATOM 8232 H2 TIP3 746 -21.734 0.590 -33.442 0.00 0.00 SOLV ATOM 8233 OH2 TIP3 747 -28.379 -6.552 -7.411 0.00 0.00 SOLV ATOM 8234 H1 TIP3 747 -27.837 -6.710 -6.641 0.00 0.00 SOLV ATOM 8235 H2 TIP3 747 -27.843 -6.115 -8.122 0.00 0.00 SOLV ATOM 8236 OH2 TIP3 748 -21.940 7.830 -22.496 0.00 0.00 SOLV ATOM 8237 H1 TIP3 748 -21.753 8.237 -23.390 0.00 0.00 SOLV ATOM 8238 H2 TIP3 748 -22.435 8.559 -22.063 0.00 0.00 SOLV ATOM 8239 OH2 TIP3 749 -25.482 9.228 -6.711 0.00 0.00 SOLV ATOM 8240 H1 TIP3 749 -25.357 9.377 -5.712 0.00 0.00 SOLV ATOM 8241 H2 TIP3 749 -25.138 8.372 -6.933 0.00 0.00 SOLV ATOM 8242 OH2 TIP3 750 -26.269 2.059 -2.753 0.00 0.00 SOLV ATOM 8243 H1 TIP3 750 -26.705 2.226 -3.632 0.00 0.00 SOLV ATOM 8244 H2 TIP3 750 -26.625 1.176 -2.426 0.00 0.00 SOLV ATOM 8245 OH2 TIP3 751 -31.839 7.447 -3.041 0.00 0.00 SOLV ATOM 8246 H1 TIP3 751 -32.551 6.802 -3.356 0.00 0.00 SOLV ATOM 8247 H2 TIP3 751 -31.652 7.982 -3.826 0.00 0.00 SOLV ATOM 8248 OH2 TIP3 752 -31.300 -3.184 -5.292 0.00 0.00 SOLV ATOM 8249 H1 TIP3 752 -30.543 -3.356 -4.701 0.00 0.00 SOLV ATOM 8250 H2 TIP3 752 -31.288 -4.010 -5.895 0.00 0.00 SOLV ATOM 8251 OH2 TIP3 753 -29.032 -4.125 -3.534 0.00 0.00 SOLV ATOM 8252 H1 TIP3 753 -28.441 -3.939 -2.787 0.00 0.00 SOLV ATOM 8253 H2 TIP3 753 -29.610 -4.779 -3.183 0.00 0.00 SOLV ATOM 8254 OH2 TIP3 754 -11.968 7.765 -43.350 0.00 0.00 SOLV ATOM 8255 H1 TIP3 754 -12.374 7.698 -42.517 0.00 0.00 SOLV ATOM 8256 H2 TIP3 754 -11.384 6.919 -43.411 0.00 0.00 SOLV ATOM 8257 OH2 TIP3 755 -17.933 7.949 -37.959 0.00 0.00 SOLV ATOM 8258 H1 TIP3 755 -17.730 8.834 -37.704 0.00 0.00 SOLV ATOM 8259 H2 TIP3 755 -17.104 7.617 -38.290 0.00 0.00 SOLV ATOM 8260 OH2 TIP3 756 -23.932 15.831 -14.597 0.00 0.00 SOLV ATOM 8261 H1 TIP3 756 -23.670 15.833 -15.559 0.00 0.00 SOLV ATOM 8262 H2 TIP3 756 -23.316 15.176 -14.196 0.00 0.00 SOLV ATOM 8263 OH2 TIP3 757 -22.625 3.510 -22.179 0.00 0.00 SOLV ATOM 8264 H1 TIP3 757 -23.559 3.221 -22.154 0.00 0.00 SOLV ATOM 8265 H2 TIP3 757 -22.595 3.864 -23.066 0.00 0.00 SOLV ATOM 8266 OH2 TIP3 758 -36.556 12.575 4.812 0.00 0.00 SOLV ATOM 8267 H1 TIP3 758 -36.437 13.513 4.963 0.00 0.00 SOLV ATOM 8268 H2 TIP3 758 -37.466 12.488 4.364 0.00 0.00 SOLV ATOM 8269 OH2 TIP3 759 -7.010 28.463 -11.312 0.00 0.00 SOLV ATOM 8270 H1 TIP3 759 -6.470 28.709 -10.478 0.00 0.00 SOLV ATOM 8271 H2 TIP3 759 -6.442 28.660 -12.036 0.00 0.00 SOLV ATOM 8272 OH2 TIP3 760 -14.545 -9.615 1.905 0.00 0.00 SOLV ATOM 8273 H1 TIP3 760 -13.872 -9.048 2.326 0.00 0.00 SOLV ATOM 8274 H2 TIP3 760 -14.341 -9.438 0.995 0.00 0.00 SOLV ATOM 8275 OH2 TIP3 761 -16.797 9.755 -27.092 0.00 0.00 SOLV ATOM 8276 H1 TIP3 761 -16.772 9.758 -28.052 0.00 0.00 SOLV ATOM 8277 H2 TIP3 761 -17.145 8.858 -26.879 0.00 0.00 SOLV ATOM 8278 OH2 TIP3 762 -5.313 10.196 -40.896 0.00 0.00 SOLV ATOM 8279 H1 TIP3 762 -4.713 10.318 -41.552 0.00 0.00 SOLV ATOM 8280 H2 TIP3 762 -5.312 11.127 -40.545 0.00 0.00 SOLV ATOM 8281 OH2 TIP3 763 -16.441 16.417 -23.225 0.00 0.00 SOLV ATOM 8282 H1 TIP3 763 -15.924 16.382 -24.047 0.00 0.00 SOLV ATOM 8283 H2 TIP3 763 -17.007 15.531 -23.265 0.00 0.00 SOLV ATOM 8284 OH2 TIP3 764 -22.736 -5.561 2.935 0.00 0.00 SOLV ATOM 8285 H1 TIP3 764 -22.598 -6.136 3.672 0.00 0.00 SOLV ATOM 8286 H2 TIP3 764 -22.036 -5.867 2.300 0.00 0.00 SOLV ATOM 8287 OH2 TIP3 765 -17.074 12.494 -28.960 0.00 0.00 SOLV ATOM 8288 H1 TIP3 765 -16.863 12.232 -29.861 0.00 0.00 SOLV ATOM 8289 H2 TIP3 765 -16.237 12.302 -28.478 0.00 0.00 SOLV ATOM 8290 OH2 TIP3 766 -24.009 9.581 -23.567 0.00 0.00 SOLV ATOM 8291 H1 TIP3 766 -24.890 9.225 -23.979 0.00 0.00 SOLV ATOM 8292 H2 TIP3 766 -23.337 9.306 -24.198 0.00 0.00 SOLV ATOM 8293 OH2 TIP3 767 -12.182 15.114 -28.605 0.00 0.00 SOLV ATOM 8294 H1 TIP3 767 -11.228 15.115 -28.395 0.00 0.00 SOLV ATOM 8295 H2 TIP3 767 -12.298 16.056 -28.823 0.00 0.00 SOLV ATOM 8296 OH2 TIP3 768 -25.790 5.457 -16.852 0.00 0.00 SOLV ATOM 8297 H1 TIP3 768 -25.083 4.992 -16.470 0.00 0.00 SOLV ATOM 8298 H2 TIP3 768 -26.197 4.861 -17.479 0.00 0.00 SOLV ATOM 8299 OH2 TIP3 769 -16.524 16.304 -11.967 0.00 0.00 SOLV ATOM 8300 H1 TIP3 769 -16.495 16.510 -11.009 0.00 0.00 SOLV ATOM 8301 H2 TIP3 769 -17.464 16.149 -12.171 0.00 0.00 SOLV ATOM 8302 OH2 TIP3 770 -18.381 -36.452 7.105 0.00 0.00 SOLV ATOM 8303 H1 TIP3 770 -18.393 -36.726 7.970 0.00 0.00 SOLV ATOM 8304 H2 TIP3 770 -17.796 -37.068 6.639 0.00 0.00 SOLV ATOM 8305 OH2 TIP3 771 20.492 14.233 7.384 0.00 0.00 SOLV ATOM 8306 H1 TIP3 771 21.298 14.193 6.808 0.00 0.00 SOLV ATOM 8307 H2 TIP3 771 20.736 14.823 8.159 0.00 0.00 SOLV ATOM 8308 OH2 TIP3 772 -21.972 11.891 -24.679 0.00 0.00 SOLV ATOM 8309 H1 TIP3 772 -22.390 11.879 -25.506 0.00 0.00 SOLV ATOM 8310 H2 TIP3 772 -21.752 10.954 -24.521 0.00 0.00 SOLV ATOM 8311 OH2 TIP3 773 -15.239 16.160 -25.651 0.00 0.00 SOLV ATOM 8312 H1 TIP3 773 -15.756 15.907 -26.456 0.00 0.00 SOLV ATOM 8313 H2 TIP3 773 -14.640 16.844 -26.015 0.00 0.00 SOLV ATOM 8314 OH2 TIP3 774 -20.982 14.920 -29.953 0.00 0.00 SOLV ATOM 8315 H1 TIP3 774 -21.507 15.641 -29.539 0.00 0.00 SOLV ATOM 8316 H2 TIP3 774 -20.103 15.150 -29.773 0.00 0.00 SOLV ATOM 8317 OH2 TIP3 775 -5.613 27.914 -14.357 0.00 0.00 SOLV ATOM 8318 H1 TIP3 775 -5.100 27.942 -15.131 0.00 0.00 SOLV ATOM 8319 H2 TIP3 775 -6.469 28.441 -14.495 0.00 0.00 SOLV ATOM 8320 OH2 TIP3 776 -10.581 -31.121 -21.163 0.00 0.00 SOLV ATOM 8321 H1 TIP3 776 -10.732 -31.517 -20.288 0.00 0.00 SOLV ATOM 8322 H2 TIP3 776 -11.369 -30.552 -21.240 0.00 0.00 SOLV ATOM 8323 OH2 TIP3 777 -11.497 -21.095 -33.142 0.00 0.00 SOLV ATOM 8324 H1 TIP3 777 -11.346 -20.916 -32.186 0.00 0.00 SOLV ATOM 8325 H2 TIP3 777 -12.107 -21.894 -33.155 0.00 0.00 SOLV ATOM 8326 OH2 TIP3 778 -10.134 -24.667 -26.285 0.00 0.00 SOLV ATOM 8327 H1 TIP3 778 -10.709 -24.140 -26.796 0.00 0.00 SOLV ATOM 8328 H2 TIP3 778 -10.057 -25.470 -26.868 0.00 0.00 SOLV ATOM 8329 OH2 TIP3 779 -20.383 -28.247 -13.458 0.00 0.00 SOLV ATOM 8330 H1 TIP3 779 -20.432 -28.397 -14.434 0.00 0.00 SOLV ATOM 8331 H2 TIP3 779 -21.254 -28.439 -13.205 0.00 0.00 SOLV ATOM 8332 OH2 TIP3 780 -23.679 -13.716 1.432 0.00 0.00 SOLV ATOM 8333 H1 TIP3 780 -22.871 -13.334 1.772 0.00 0.00 SOLV ATOM 8334 H2 TIP3 780 -24.260 -13.524 2.195 0.00 0.00 SOLV ATOM 8335 OH2 TIP3 781 -8.304 -29.726 4.028 0.00 0.00 SOLV ATOM 8336 H1 TIP3 781 -8.529 -28.988 3.404 0.00 0.00 SOLV ATOM 8337 H2 TIP3 781 -7.757 -30.261 3.486 0.00 0.00 SOLV ATOM 8338 OH2 TIP3 782 -14.226 1.243 -33.199 0.00 0.00 SOLV ATOM 8339 H1 TIP3 782 -13.895 1.542 -32.375 0.00 0.00 SOLV ATOM 8340 H2 TIP3 782 -13.938 0.352 -33.301 0.00 0.00 SOLV ATOM 8341 OH2 TIP3 783 -15.968 -25.180 -25.783 0.00 0.00 SOLV ATOM 8342 H1 TIP3 783 -16.262 -24.589 -26.530 0.00 0.00 SOLV ATOM 8343 H2 TIP3 783 -15.069 -24.872 -25.613 0.00 0.00 SOLV ATOM 8344 OH2 TIP3 784 -9.629 -28.507 -25.724 0.00 0.00 SOLV ATOM 8345 H1 TIP3 784 -10.281 -28.691 -26.400 0.00 0.00 SOLV ATOM 8346 H2 TIP3 784 -8.989 -27.961 -26.133 0.00 0.00 SOLV ATOM 8347 OH2 TIP3 785 -21.008 -19.541 -24.731 0.00 0.00 SOLV ATOM 8348 H1 TIP3 785 -21.942 -19.784 -24.503 0.00 0.00 SOLV ATOM 8349 H2 TIP3 785 -20.817 -18.845 -24.114 0.00 0.00 SOLV ATOM 8350 OH2 TIP3 786 -25.812 -23.230 7.417 0.00 0.00 SOLV ATOM 8351 H1 TIP3 786 -26.721 -23.433 7.109 0.00 0.00 SOLV ATOM 8352 H2 TIP3 786 -25.942 -22.975 8.339 0.00 0.00 SOLV ATOM 8353 OH2 TIP3 787 -9.205 -21.077 4.428 0.00 0.00 SOLV ATOM 8354 H1 TIP3 787 -8.669 -21.292 5.252 0.00 0.00 SOLV ATOM 8355 H2 TIP3 787 -9.879 -21.750 4.411 0.00 0.00 SOLV ATOM 8356 OH2 TIP3 788 -12.806 -24.203 1.649 0.00 0.00 SOLV ATOM 8357 H1 TIP3 788 -11.940 -23.953 1.934 0.00 0.00 SOLV ATOM 8358 H2 TIP3 788 -13.274 -24.452 2.487 0.00 0.00 SOLV ATOM 8359 OH2 TIP3 789 -16.752 -20.844 -33.394 0.00 0.00 SOLV ATOM 8360 H1 TIP3 789 -17.674 -20.754 -33.443 0.00 0.00 SOLV ATOM 8361 H2 TIP3 789 -16.478 -20.736 -34.278 0.00 0.00 SOLV ATOM 8362 OH2 TIP3 790 -15.736 18.075 6.570 0.00 0.00 SOLV ATOM 8363 H1 TIP3 790 -15.100 17.831 5.833 0.00 0.00 SOLV ATOM 8364 H2 TIP3 790 -16.522 18.377 6.033 0.00 0.00 SOLV ATOM 8365 OH2 TIP3 791 -22.733 -27.262 -18.984 0.00 0.00 SOLV ATOM 8366 H1 TIP3 791 -22.397 -26.390 -19.149 0.00 0.00 SOLV ATOM 8367 H2 TIP3 791 -21.911 -27.849 -19.044 0.00 0.00 SOLV ATOM 8368 OH2 TIP3 792 -14.393 -25.795 -28.457 0.00 0.00 SOLV ATOM 8369 H1 TIP3 792 -14.214 -24.861 -28.729 0.00 0.00 SOLV ATOM 8370 H2 TIP3 792 -13.647 -26.303 -28.851 0.00 0.00 SOLV ATOM 8371 OH2 TIP3 793 -26.011 -21.201 -16.490 0.00 0.00 SOLV ATOM 8372 H1 TIP3 793 -26.259 -21.279 -15.548 0.00 0.00 SOLV ATOM 8373 H2 TIP3 793 -26.060 -22.136 -16.792 0.00 0.00 SOLV ATOM 8374 OH2 TIP3 794 -14.542 -24.252 -22.621 0.00 0.00 SOLV ATOM 8375 H1 TIP3 794 -13.756 -24.186 -22.081 0.00 0.00 SOLV ATOM 8376 H2 TIP3 794 -15.274 -23.918 -22.006 0.00 0.00 SOLV ATOM 8377 OH2 TIP3 795 -16.316 -20.013 -6.069 0.00 0.00 SOLV ATOM 8378 H1 TIP3 795 -16.934 -20.465 -6.595 0.00 0.00 SOLV ATOM 8379 H2 TIP3 795 -16.053 -20.787 -5.451 0.00 0.00 SOLV ATOM 8380 OH2 TIP3 796 -2.794 -4.179 11.903 0.00 0.00 SOLV ATOM 8381 H1 TIP3 796 -3.490 -4.864 11.982 0.00 0.00 SOLV ATOM 8382 H2 TIP3 796 -2.035 -4.744 11.656 0.00 0.00 SOLV ATOM 8383 OH2 TIP3 797 -12.581 -13.068 -41.784 0.00 0.00 SOLV ATOM 8384 H1 TIP3 797 -11.916 -12.824 -42.443 0.00 0.00 SOLV ATOM 8385 H2 TIP3 797 -13.378 -12.824 -42.151 0.00 0.00 SOLV ATOM 8386 OH2 TIP3 798 -6.071 -14.533 -2.836 0.00 0.00 SOLV ATOM 8387 H1 TIP3 798 -6.927 -14.902 -2.482 0.00 0.00 SOLV ATOM 8388 H2 TIP3 798 -5.718 -15.257 -3.373 0.00 0.00 SOLV ATOM 8389 OH2 TIP3 799 -5.810 -32.307 5.147 0.00 0.00 SOLV ATOM 8390 H1 TIP3 799 -5.406 -33.184 5.205 0.00 0.00 SOLV ATOM 8391 H2 TIP3 799 -6.221 -32.309 4.246 0.00 0.00 SOLV ATOM 8392 OH2 TIP3 800 -12.543 -23.920 -6.572 0.00 0.00 SOLV ATOM 8393 H1 TIP3 800 -12.464 -24.797 -6.156 0.00 0.00 SOLV ATOM 8394 H2 TIP3 800 -13.433 -23.578 -6.300 0.00 0.00 SOLV ATOM 8395 OH2 TIP3 801 -20.098 -19.176 5.491 0.00 0.00 SOLV ATOM 8396 H1 TIP3 801 -20.862 -19.053 6.024 0.00 0.00 SOLV ATOM 8397 H2 TIP3 801 -20.002 -20.136 5.489 0.00 0.00 SOLV ATOM 8398 OH2 TIP3 802 -18.467 -22.357 -4.078 0.00 0.00 SOLV ATOM 8399 H1 TIP3 802 -18.906 -22.368 -3.230 0.00 0.00 SOLV ATOM 8400 H2 TIP3 802 -17.672 -21.831 -3.863 0.00 0.00 SOLV ATOM 8401 OH2 TIP3 803 -23.715 -17.246 6.333 0.00 0.00 SOLV ATOM 8402 H1 TIP3 803 -24.080 -17.755 7.070 0.00 0.00 SOLV ATOM 8403 H2 TIP3 803 -24.223 -16.436 6.293 0.00 0.00 SOLV ATOM 8404 OH2 TIP3 804 -18.608 -22.235 -30.633 0.00 0.00 SOLV ATOM 8405 H1 TIP3 804 -19.351 -21.516 -30.732 0.00 0.00 SOLV ATOM 8406 H2 TIP3 804 -18.126 -21.892 -29.929 0.00 0.00 SOLV ATOM 8407 OH2 TIP3 805 -17.792 -14.593 -32.605 0.00 0.00 SOLV ATOM 8408 H1 TIP3 805 -16.917 -15.030 -32.657 0.00 0.00 SOLV ATOM 8409 H2 TIP3 805 -18.053 -14.769 -31.654 0.00 0.00 SOLV ATOM 8410 OH2 TIP3 806 -8.299 -26.697 -19.693 0.00 0.00 SOLV ATOM 8411 H1 TIP3 806 -8.886 -27.246 -19.156 0.00 0.00 SOLV ATOM 8412 H2 TIP3 806 -7.490 -27.276 -19.779 0.00 0.00 SOLV ATOM 8413 OH2 TIP3 807 -2.638 -13.653 -5.670 0.00 0.00 SOLV ATOM 8414 H1 TIP3 807 -2.407 -14.553 -5.438 0.00 0.00 SOLV ATOM 8415 H2 TIP3 807 -2.686 -13.211 -4.796 0.00 0.00 SOLV ATOM 8416 OH2 TIP3 808 -4.325 -28.852 -10.032 0.00 0.00 SOLV ATOM 8417 H1 TIP3 808 -4.745 -27.979 -9.905 0.00 0.00 SOLV ATOM 8418 H2 TIP3 808 -5.027 -29.553 -10.069 0.00 0.00 SOLV ATOM 8419 OH2 TIP3 809 -10.562 -23.102 -17.108 0.00 0.00 SOLV ATOM 8420 H1 TIP3 809 -9.897 -23.488 -17.714 0.00 0.00 SOLV ATOM 8421 H2 TIP3 809 -11.340 -23.018 -17.737 0.00 0.00 SOLV ATOM 8422 OH2 TIP3 810 -4.762 -5.837 2.189 0.00 0.00 SOLV ATOM 8423 H1 TIP3 810 -4.659 -4.962 2.560 0.00 0.00 SOLV ATOM 8424 H2 TIP3 810 -3.926 -6.034 1.853 0.00 0.00 SOLV ATOM 8425 OH2 TIP3 811 -30.499 -11.895 7.009 0.00 0.00 SOLV ATOM 8426 H1 TIP3 811 -31.316 -11.550 7.369 0.00 0.00 SOLV ATOM 8427 H2 TIP3 811 -30.794 -12.449 6.292 0.00 0.00 SOLV ATOM 8428 OH2 TIP3 812 -15.171 -13.354 -39.832 0.00 0.00 SOLV ATOM 8429 H1 TIP3 812 -14.470 -13.599 -39.148 0.00 0.00 SOLV ATOM 8430 H2 TIP3 812 -15.282 -12.362 -39.656 0.00 0.00 SOLV ATOM 8431 OH2 TIP3 813 -5.693 -13.878 -35.938 0.00 0.00 SOLV ATOM 8432 H1 TIP3 813 -6.155 -14.686 -36.290 0.00 0.00 SOLV ATOM 8433 H2 TIP3 813 -6.388 -13.453 -35.394 0.00 0.00 SOLV ATOM 8434 OH2 TIP3 814 -5.367 -26.201 -29.237 0.00 0.00 SOLV ATOM 8435 H1 TIP3 814 -5.721 -25.324 -29.100 0.00 0.00 SOLV ATOM 8436 H2 TIP3 814 -5.503 -26.595 -28.378 0.00 0.00 SOLV ATOM 8437 OH2 TIP3 815 -7.508 -7.048 -37.934 0.00 0.00 SOLV ATOM 8438 H1 TIP3 815 -8.390 -7.370 -38.020 0.00 0.00 SOLV ATOM 8439 H2 TIP3 815 -7.011 -7.587 -38.594 0.00 0.00 SOLV ATOM 8440 OH2 TIP3 816 -16.577 -1.805 -33.702 0.00 0.00 SOLV ATOM 8441 H1 TIP3 816 -17.084 -1.039 -33.528 0.00 0.00 SOLV ATOM 8442 H2 TIP3 816 -16.928 -2.050 -34.520 0.00 0.00 SOLV ATOM 8443 OH2 TIP3 817 -12.756 -17.850 -8.525 0.00 0.00 SOLV ATOM 8444 H1 TIP3 817 -12.203 -17.131 -8.298 0.00 0.00 SOLV ATOM 8445 H2 TIP3 817 -13.546 -17.450 -9.011 0.00 0.00 SOLV ATOM 8446 OH2 TIP3 818 -15.704 -26.860 -19.786 0.00 0.00 SOLV ATOM 8447 H1 TIP3 818 -15.902 -26.903 -20.758 0.00 0.00 SOLV ATOM 8448 H2 TIP3 818 -14.787 -26.856 -19.798 0.00 0.00 SOLV ATOM 8449 OH2 TIP3 819 -17.229 -27.154 -15.442 0.00 0.00 SOLV ATOM 8450 H1 TIP3 819 -17.789 -27.239 -16.237 0.00 0.00 SOLV ATOM 8451 H2 TIP3 819 -17.752 -27.522 -14.711 0.00 0.00 SOLV ATOM 8452 OH2 TIP3 820 -18.190 -23.593 -8.279 0.00 0.00 SOLV ATOM 8453 H1 TIP3 820 -17.231 -23.767 -8.555 0.00 0.00 SOLV ATOM 8454 H2 TIP3 820 -18.596 -23.303 -9.152 0.00 0.00 SOLV ATOM 8455 OH2 TIP3 821 -26.696 -11.061 1.002 0.00 0.00 SOLV ATOM 8456 H1 TIP3 821 -26.040 -10.771 0.433 0.00 0.00 SOLV ATOM 8457 H2 TIP3 821 -27.397 -10.372 0.899 0.00 0.00 SOLV ATOM 8458 OH2 TIP3 822 -18.116 -7.595 0.879 0.00 0.00 SOLV ATOM 8459 H1 TIP3 822 -17.715 -8.053 0.106 0.00 0.00 SOLV ATOM 8460 H2 TIP3 822 -17.862 -8.296 1.563 0.00 0.00 SOLV ATOM 8461 OH2 TIP3 823 -15.514 -21.707 5.877 0.00 0.00 SOLV ATOM 8462 H1 TIP3 823 -16.434 -21.736 5.953 0.00 0.00 SOLV ATOM 8463 H2 TIP3 823 -15.391 -21.036 5.182 0.00 0.00 SOLV ATOM 8464 OH2 TIP3 824 -14.670 -22.848 -28.701 0.00 0.00 SOLV ATOM 8465 H1 TIP3 824 -15.087 -22.008 -28.939 0.00 0.00 SOLV ATOM 8466 H2 TIP3 824 -15.383 -23.240 -28.246 0.00 0.00 SOLV ATOM 8467 OH2 TIP3 825 -12.903 -19.444 -25.411 0.00 0.00 SOLV ATOM 8468 H1 TIP3 825 -12.246 -19.331 -26.105 0.00 0.00 SOLV ATOM 8469 H2 TIP3 825 -12.487 -19.050 -24.690 0.00 0.00 SOLV ATOM 8470 OH2 TIP3 826 -11.490 -10.292 -38.676 0.00 0.00 SOLV ATOM 8471 H1 TIP3 826 -10.653 -9.834 -38.983 0.00 0.00 SOLV ATOM 8472 H2 TIP3 826 -11.793 -10.643 -39.520 0.00 0.00 SOLV ATOM 8473 OH2 TIP3 827 -15.679 -27.195 -7.046 0.00 0.00 SOLV ATOM 8474 H1 TIP3 827 -16.499 -27.385 -7.505 0.00 0.00 SOLV ATOM 8475 H2 TIP3 827 -14.964 -27.697 -7.498 0.00 0.00 SOLV ATOM 8476 OH2 TIP3 828 -26.780 10.367 12.815 0.00 0.00 SOLV ATOM 8477 H1 TIP3 828 -27.689 9.863 12.781 0.00 0.00 SOLV ATOM 8478 H2 TIP3 828 -26.243 9.833 12.233 0.00 0.00 SOLV ATOM 8479 OH2 TIP3 829 -17.217 -10.019 -8.488 0.00 0.00 SOLV ATOM 8480 H1 TIP3 829 -17.608 -9.308 -8.992 0.00 0.00 SOLV ATOM 8481 H2 TIP3 829 -17.923 -10.423 -7.967 0.00 0.00 SOLV ATOM 8482 OH2 TIP3 830 -17.819 -19.290 7.247 0.00 0.00 SOLV ATOM 8483 H1 TIP3 830 -17.250 -18.657 6.731 0.00 0.00 SOLV ATOM 8484 H2 TIP3 830 -18.559 -19.472 6.712 0.00 0.00 SOLV ATOM 8485 OH2 TIP3 831 -22.181 -20.027 7.087 0.00 0.00 SOLV ATOM 8486 H1 TIP3 831 -22.900 -20.572 6.802 0.00 0.00 SOLV ATOM 8487 H2 TIP3 831 -21.993 -20.115 8.030 0.00 0.00 SOLV ATOM 8488 OH2 TIP3 832 -21.793 -7.827 -22.438 0.00 0.00 SOLV ATOM 8489 H1 TIP3 832 -21.613 -8.591 -21.866 0.00 0.00 SOLV ATOM 8490 H2 TIP3 832 -21.247 -7.983 -23.216 0.00 0.00 SOLV ATOM 8491 OH2 TIP3 833 21.797 -9.697 -19.746 0.00 0.00 SOLV ATOM 8492 H1 TIP3 833 22.474 -9.011 -19.787 0.00 0.00 SOLV ATOM 8493 H2 TIP3 833 21.897 -10.210 -20.593 0.00 0.00 SOLV ATOM 8494 OH2 TIP3 834 2.274 -10.095 8.288 0.00 0.00 SOLV ATOM 8495 H1 TIP3 834 2.502 -9.485 9.012 0.00 0.00 SOLV ATOM 8496 H2 TIP3 834 2.482 -10.960 8.706 0.00 0.00 SOLV ATOM 8497 OH2 TIP3 835 -19.612 -19.783 -13.306 0.00 0.00 SOLV ATOM 8498 H1 TIP3 835 -20.215 -18.973 -13.206 0.00 0.00 SOLV ATOM 8499 H2 TIP3 835 -18.716 -19.466 -13.081 0.00 0.00 SOLV ATOM 8500 OH2 TIP3 836 -6.495 -9.771 18.227 0.00 0.00 SOLV ATOM 8501 H1 TIP3 836 -5.757 -10.210 18.703 0.00 0.00 SOLV ATOM 8502 H2 TIP3 836 -6.012 -9.296 17.509 0.00 0.00 SOLV ATOM 8503 OH2 TIP3 837 -1.775 -9.962 -39.431 0.00 0.00 SOLV ATOM 8504 H1 TIP3 837 -1.138 -10.380 -40.138 0.00 0.00 SOLV ATOM 8505 H2 TIP3 837 -1.489 -9.053 -39.340 0.00 0.00 SOLV ATOM 8506 OH2 TIP3 838 -2.212 -16.486 5.995 0.00 0.00 SOLV ATOM 8507 H1 TIP3 838 -1.577 -15.853 6.403 0.00 0.00 SOLV ATOM 8508 H2 TIP3 838 -2.106 -17.266 6.581 0.00 0.00 SOLV ATOM 8509 OH2 TIP3 839 -9.614 -19.146 -37.711 0.00 0.00 SOLV ATOM 8510 H1 TIP3 839 -9.759 -19.709 -36.911 0.00 0.00 SOLV ATOM 8511 H2 TIP3 839 -10.035 -18.303 -37.417 0.00 0.00 SOLV ATOM 8512 OH2 TIP3 840 -21.449 7.524 -16.570 0.00 0.00 SOLV ATOM 8513 H1 TIP3 840 -21.950 8.272 -16.831 0.00 0.00 SOLV ATOM 8514 H2 TIP3 840 -22.028 7.185 -15.876 0.00 0.00 SOLV ATOM 8515 OH2 TIP3 841 -19.502 13.058 -10.382 0.00 0.00 SOLV ATOM 8516 H1 TIP3 841 -19.900 12.979 -9.452 0.00 0.00 SOLV ATOM 8517 H2 TIP3 841 -19.944 12.337 -10.875 0.00 0.00 SOLV ATOM 8518 OH2 TIP3 842 -3.444 -14.349 -17.599 0.00 0.00 SOLV ATOM 8519 H1 TIP3 842 -3.148 -14.281 -18.509 0.00 0.00 SOLV ATOM 8520 H2 TIP3 842 -2.644 -14.598 -17.067 0.00 0.00 SOLV ATOM 8521 OH2 TIP3 843 -12.281 -25.955 -23.809 0.00 0.00 SOLV ATOM 8522 H1 TIP3 843 -11.979 -25.624 -22.968 0.00 0.00 SOLV ATOM 8523 H2 TIP3 843 -12.907 -25.191 -24.059 0.00 0.00 SOLV ATOM 8524 OH2 TIP3 844 9.642 7.429 -11.973 0.00 0.00 SOLV ATOM 8525 H1 TIP3 844 9.013 7.097 -11.336 0.00 0.00 SOLV ATOM 8526 H2 TIP3 844 9.199 8.254 -12.359 0.00 0.00 SOLV ATOM 8527 OH2 TIP3 845 -24.915 15.299 -1.209 0.00 0.00 SOLV ATOM 8528 H1 TIP3 845 -25.288 15.296 -2.102 0.00 0.00 SOLV ATOM 8529 H2 TIP3 845 -25.687 15.403 -0.599 0.00 0.00 SOLV ATOM 8530 OH2 TIP3 846 -16.043 -12.816 -5.403 0.00 0.00 SOLV ATOM 8531 H1 TIP3 846 -16.405 -13.222 -4.610 0.00 0.00 SOLV ATOM 8532 H2 TIP3 846 -15.446 -12.149 -5.017 0.00 0.00 SOLV ATOM 8533 OH2 TIP3 847 -9.061 -16.945 2.814 0.00 0.00 SOLV ATOM 8534 H1 TIP3 847 -8.926 -16.186 3.418 0.00 0.00 SOLV ATOM 8535 H2 TIP3 847 -8.136 -17.219 2.599 0.00 0.00 SOLV ATOM 8536 OH2 TIP3 848 -12.131 -14.742 6.488 0.00 0.00 SOLV ATOM 8537 H1 TIP3 848 -11.850 -13.844 6.552 0.00 0.00 SOLV ATOM 8538 H2 TIP3 848 -12.984 -14.609 5.975 0.00 0.00 SOLV ATOM 8539 OH2 TIP3 849 -5.408 -9.604 -43.750 0.00 0.00 SOLV ATOM 8540 H1 TIP3 849 -5.279 -10.269 -43.066 0.00 0.00 SOLV ATOM 8541 H2 TIP3 849 -6.392 -9.524 -43.822 0.00 0.00 SOLV ATOM 8542 OH2 TIP3 850 -8.059 -1.615 -47.486 0.00 0.00 SOLV ATOM 8543 H1 TIP3 850 -9.033 -1.442 -47.424 0.00 0.00 SOLV ATOM 8544 H2 TIP3 850 -7.916 -2.091 -46.668 0.00 0.00 SOLV ATOM 8545 OH2 TIP3 851 -3.198 -5.138 -44.094 0.00 0.00 SOLV ATOM 8546 H1 TIP3 851 -2.455 -4.799 -44.577 0.00 0.00 SOLV ATOM 8547 H2 TIP3 851 -3.206 -6.112 -44.339 0.00 0.00 SOLV ATOM 8548 OH2 TIP3 852 -8.327 -13.819 -31.475 0.00 0.00 SOLV ATOM 8549 H1 TIP3 852 -8.279 -13.515 -32.396 0.00 0.00 SOLV ATOM 8550 H2 TIP3 852 -7.631 -14.474 -31.500 0.00 0.00 SOLV ATOM 8551 OH2 TIP3 853 -9.024 -9.944 -34.660 0.00 0.00 SOLV ATOM 8552 H1 TIP3 853 -8.658 -10.014 -35.565 0.00 0.00 SOLV ATOM 8553 H2 TIP3 853 -9.028 -8.986 -34.494 0.00 0.00 SOLV ATOM 8554 OH2 TIP3 854 -12.381 -14.850 -14.451 0.00 0.00 SOLV ATOM 8555 H1 TIP3 854 -13.124 -15.485 -14.404 0.00 0.00 SOLV ATOM 8556 H2 TIP3 854 -12.830 -14.162 -13.900 0.00 0.00 SOLV ATOM 8557 OH2 TIP3 855 -26.455 -10.354 -15.731 0.00 0.00 SOLV ATOM 8558 H1 TIP3 855 -27.122 -10.273 -14.978 0.00 0.00 SOLV ATOM 8559 H2 TIP3 855 -26.070 -11.255 -15.659 0.00 0.00 SOLV ATOM 8560 OH2 TIP3 856 3.283 11.450 10.888 0.00 0.00 SOLV ATOM 8561 H1 TIP3 856 3.321 12.388 10.909 0.00 0.00 SOLV ATOM 8562 H2 TIP3 856 3.947 11.226 10.177 0.00 0.00 SOLV ATOM 8563 OH2 TIP3 857 -19.551 -17.697 -7.032 0.00 0.00 SOLV ATOM 8564 H1 TIP3 857 -19.438 -18.272 -6.286 0.00 0.00 SOLV ATOM 8565 H2 TIP3 857 -19.437 -16.804 -6.631 0.00 0.00 SOLV ATOM 8566 OH2 TIP3 858 -17.898 -11.730 -28.522 0.00 0.00 SOLV ATOM 8567 H1 TIP3 858 -18.655 -12.222 -28.140 0.00 0.00 SOLV ATOM 8568 H2 TIP3 858 -17.570 -11.289 -27.696 0.00 0.00 SOLV ATOM 8569 OH2 TIP3 859 -18.265 1.349 -24.046 0.00 0.00 SOLV ATOM 8570 H1 TIP3 859 -19.090 1.526 -23.554 0.00 0.00 SOLV ATOM 8571 H2 TIP3 859 -17.695 1.015 -23.308 0.00 0.00 SOLV ATOM 8572 OH2 TIP3 860 -21.048 -4.176 -16.717 0.00 0.00 SOLV ATOM 8573 H1 TIP3 860 -20.579 -5.002 -17.121 0.00 0.00 SOLV ATOM 8574 H2 TIP3 860 -21.810 -3.973 -17.296 0.00 0.00 SOLV ATOM 8575 OH2 TIP3 861 -27.262 -4.364 -13.720 0.00 0.00 SOLV ATOM 8576 H1 TIP3 861 -26.727 -3.958 -12.999 0.00 0.00 SOLV ATOM 8577 H2 TIP3 861 -27.334 -3.637 -14.307 0.00 0.00 SOLV ATOM 8578 OH2 TIP3 862 -11.602 -2.180 -12.010 0.00 0.00 SOLV ATOM 8579 H1 TIP3 862 -11.908 -2.913 -11.404 0.00 0.00 SOLV ATOM 8580 H2 TIP3 862 -12.246 -2.184 -12.706 0.00 0.00 SOLV ATOM 8581 OH2 TIP3 863 -21.084 -4.957 -14.120 0.00 0.00 SOLV ATOM 8582 H1 TIP3 863 -20.924 -4.800 -15.107 0.00 0.00 SOLV ATOM 8583 H2 TIP3 863 -21.852 -4.380 -14.007 0.00 0.00 SOLV ATOM 8584 OH2 TIP3 864 -13.124 0.196 -20.159 0.00 0.00 SOLV ATOM 8585 H1 TIP3 864 -13.481 -0.531 -20.655 0.00 0.00 SOLV ATOM 8586 H2 TIP3 864 -13.774 0.925 -20.368 0.00 0.00 SOLV ATOM 8587 OH2 TIP3 865 -24.593 -8.326 -16.218 0.00 0.00 SOLV ATOM 8588 H1 TIP3 865 -25.292 -9.058 -16.361 0.00 0.00 SOLV ATOM 8589 H2 TIP3 865 -25.084 -7.714 -15.758 0.00 0.00 SOLV ATOM 8590 OH2 TIP3 866 -16.631 6.068 -32.263 0.00 0.00 SOLV ATOM 8591 H1 TIP3 866 -17.191 6.550 -32.866 0.00 0.00 SOLV ATOM 8592 H2 TIP3 866 -15.776 6.465 -32.547 0.00 0.00 SOLV ATOM 8593 OH2 TIP3 867 -20.999 -11.234 -12.890 0.00 0.00 SOLV ATOM 8594 H1 TIP3 867 -21.724 -10.530 -12.792 0.00 0.00 SOLV ATOM 8595 H2 TIP3 867 -20.478 -10.868 -13.634 0.00 0.00 SOLV ATOM 8596 OH2 TIP3 868 -22.613 6.406 -20.111 0.00 0.00 SOLV ATOM 8597 H1 TIP3 868 -22.592 6.344 -21.100 0.00 0.00 SOLV ATOM 8598 H2 TIP3 868 -22.752 7.327 -19.902 0.00 0.00 SOLV ATOM 8599 OH2 TIP3 869 -23.316 -15.275 -15.377 0.00 0.00 SOLV ATOM 8600 H1 TIP3 869 -23.380 -14.792 -14.573 0.00 0.00 SOLV ATOM 8601 H2 TIP3 869 -22.683 -15.996 -15.184 0.00 0.00 SOLV ATOM 8602 OH2 TIP3 870 -24.946 5.013 -20.173 0.00 0.00 SOLV ATOM 8603 H1 TIP3 870 -24.012 5.321 -19.958 0.00 0.00 SOLV ATOM 8604 H2 TIP3 870 -25.035 4.196 -19.717 0.00 0.00 SOLV ATOM 8605 OH2 TIP3 871 -15.737 -17.333 -12.537 0.00 0.00 SOLV ATOM 8606 H1 TIP3 871 -15.863 -17.020 -13.457 0.00 0.00 SOLV ATOM 8607 H2 TIP3 871 -16.571 -17.763 -12.253 0.00 0.00 SOLV ATOM 8608 OH2 TIP3 872 3.221 -11.343 -11.608 0.00 0.00 SOLV ATOM 8609 H1 TIP3 872 2.995 -12.023 -10.947 0.00 0.00 SOLV ATOM 8610 H2 TIP3 872 3.489 -10.510 -11.119 0.00 0.00 SOLV ATOM 8611 OH2 TIP3 873 -28.013 8.346 4.488 0.00 0.00 SOLV ATOM 8612 H1 TIP3 873 -28.156 7.534 3.949 0.00 0.00 SOLV ATOM 8613 H2 TIP3 873 -28.868 8.677 4.669 0.00 0.00 SOLV ATOM 8614 OH2 TIP3 874 -31.711 12.038 -5.587 0.00 0.00 SOLV ATOM 8615 H1 TIP3 874 -31.882 12.443 -6.441 0.00 0.00 SOLV ATOM 8616 H2 TIP3 874 -31.217 12.793 -5.193 0.00 0.00 SOLV ATOM 8617 OH2 TIP3 875 -10.019 -4.259 -48.038 0.00 0.00 SOLV ATOM 8618 H1 TIP3 875 -10.953 -4.240 -48.227 0.00 0.00 SOLV ATOM 8619 H2 TIP3 875 -9.691 -5.014 -48.545 0.00 0.00 SOLV ATOM 8620 OH2 TIP3 876 -15.522 -6.030 -39.149 0.00 0.00 SOLV ATOM 8621 H1 TIP3 876 -15.469 -5.118 -38.877 0.00 0.00 SOLV ATOM 8622 H2 TIP3 876 -15.137 -6.034 -40.071 0.00 0.00 SOLV ATOM 8623 OH2 TIP3 877 -7.372 2.042 -39.045 0.00 0.00 SOLV ATOM 8624 H1 TIP3 877 -7.180 2.981 -39.312 0.00 0.00 SOLV ATOM 8625 H2 TIP3 877 -6.870 1.967 -38.232 0.00 0.00 SOLV ATOM 8626 OH2 TIP3 878 -23.996 7.226 -26.710 0.00 0.00 SOLV ATOM 8627 H1 TIP3 878 -24.564 7.942 -27.075 0.00 0.00 SOLV ATOM 8628 H2 TIP3 878 -24.548 6.472 -26.678 0.00 0.00 SOLV ATOM 8629 OH2 TIP3 879 -18.393 14.917 -28.998 0.00 0.00 SOLV ATOM 8630 H1 TIP3 879 -18.286 13.985 -29.149 0.00 0.00 SOLV ATOM 8631 H2 TIP3 879 -17.582 15.241 -28.535 0.00 0.00 SOLV ATOM 8632 OH2 TIP3 880 8.319 15.570 19.225 0.00 0.00 SOLV ATOM 8633 H1 TIP3 880 8.515 14.615 19.286 0.00 0.00 SOLV ATOM 8634 H2 TIP3 880 9.103 15.920 19.670 0.00 0.00 SOLV ATOM 8635 OH2 TIP3 881 -21.123 -6.921 -6.973 0.00 0.00 SOLV ATOM 8636 H1 TIP3 881 -21.665 -6.948 -7.810 0.00 0.00 SOLV ATOM 8637 H2 TIP3 881 -21.522 -7.676 -6.432 0.00 0.00 SOLV ATOM 8638 OH2 TIP3 882 -29.068 1.474 -13.383 0.00 0.00 SOLV ATOM 8639 H1 TIP3 882 -29.703 0.736 -13.561 0.00 0.00 SOLV ATOM 8640 H2 TIP3 882 -29.661 2.248 -13.507 0.00 0.00 SOLV ATOM 8641 OH2 TIP3 883 -32.011 3.380 2.555 0.00 0.00 SOLV ATOM 8642 H1 TIP3 883 -32.127 3.238 3.539 0.00 0.00 SOLV ATOM 8643 H2 TIP3 883 -32.258 2.477 2.219 0.00 0.00 SOLV ATOM 8644 OH2 TIP3 884 -10.871 -11.499 -24.693 0.00 0.00 SOLV ATOM 8645 H1 TIP3 884 -11.081 -12.001 -25.499 0.00 0.00 SOLV ATOM 8646 H2 TIP3 884 -11.703 -11.078 -24.473 0.00 0.00 SOLV ATOM 8647 OH2 TIP3 885 -17.724 -12.174 -19.279 0.00 0.00 SOLV ATOM 8648 H1 TIP3 885 -17.301 -12.852 -19.808 0.00 0.00 SOLV ATOM 8649 H2 TIP3 885 -18.672 -12.247 -19.539 0.00 0.00 SOLV ATOM 8650 OH2 TIP3 886 -19.484 -1.476 -24.669 0.00 0.00 SOLV ATOM 8651 H1 TIP3 886 -18.854 -2.205 -24.781 0.00 0.00 SOLV ATOM 8652 H2 TIP3 886 -18.851 -0.744 -24.593 0.00 0.00 SOLV ATOM 8653 OH2 TIP3 887 -20.983 1.413 -30.069 0.00 0.00 SOLV ATOM 8654 H1 TIP3 887 -20.711 1.492 -30.999 0.00 0.00 SOLV ATOM 8655 H2 TIP3 887 -21.509 0.580 -30.022 0.00 0.00 SOLV ATOM 8656 OH2 TIP3 888 -25.262 14.989 -9.658 0.00 0.00 SOLV ATOM 8657 H1 TIP3 888 -24.407 15.479 -9.779 0.00 0.00 SOLV ATOM 8658 H2 TIP3 888 -25.785 15.430 -10.323 0.00 0.00 SOLV ATOM 8659 OH2 TIP3 889 -9.178 29.250 -18.717 0.00 0.00 SOLV ATOM 8660 H1 TIP3 889 -9.510 29.965 -19.343 0.00 0.00 SOLV ATOM 8661 H2 TIP3 889 -9.596 28.544 -19.188 0.00 0.00 SOLV ATOM 8662 OH2 TIP3 890 -24.779 0.929 -16.679 0.00 0.00 SOLV ATOM 8663 H1 TIP3 890 -25.524 1.484 -16.218 0.00 0.00 SOLV ATOM 8664 H2 TIP3 890 -24.897 0.071 -16.253 0.00 0.00 SOLV ATOM 8665 OH2 TIP3 891 -19.593 -2.811 -22.352 0.00 0.00 SOLV ATOM 8666 H1 TIP3 891 -19.577 -3.715 -21.920 0.00 0.00 SOLV ATOM 8667 H2 TIP3 891 -19.948 -2.915 -23.259 0.00 0.00 SOLV ATOM 8668 OH2 TIP3 892 -19.254 5.046 -34.335 0.00 0.00 SOLV ATOM 8669 H1 TIP3 892 -20.200 5.135 -34.700 0.00 0.00 SOLV ATOM 8670 H2 TIP3 892 -18.723 4.705 -35.050 0.00 0.00 SOLV ATOM 8671 OH2 TIP3 893 -11.639 -3.159 -45.592 0.00 0.00 SOLV ATOM 8672 H1 TIP3 893 -10.933 -2.927 -46.212 0.00 0.00 SOLV ATOM 8673 H2 TIP3 893 -11.393 -4.001 -45.279 0.00 0.00 SOLV ATOM 8674 OH2 TIP3 894 -10.793 4.825 -41.893 0.00 0.00 SOLV ATOM 8675 H1 TIP3 894 -10.130 5.329 -41.345 0.00 0.00 SOLV ATOM 8676 H2 TIP3 894 -10.257 4.171 -42.333 0.00 0.00 SOLV ATOM 8677 OH2 TIP3 895 -13.252 9.536 -37.903 0.00 0.00 SOLV ATOM 8678 H1 TIP3 895 -12.462 10.018 -37.667 0.00 0.00 SOLV ATOM 8679 H2 TIP3 895 -13.946 10.243 -37.825 0.00 0.00 SOLV ATOM 8680 OH2 TIP3 896 7.711 18.867 -15.829 0.00 0.00 SOLV ATOM 8681 H1 TIP3 896 8.281 18.423 -16.508 0.00 0.00 SOLV ATOM 8682 H2 TIP3 896 7.076 19.339 -16.382 0.00 0.00 SOLV ATOM 8683 OH2 TIP3 897 -22.359 4.868 -17.187 0.00 0.00 SOLV ATOM 8684 H1 TIP3 897 -21.953 5.722 -17.108 0.00 0.00 SOLV ATOM 8685 H2 TIP3 897 -21.956 4.411 -17.961 0.00 0.00 SOLV ATOM 8686 OH2 TIP3 898 -8.596 -0.648 -17.327 0.00 0.00 SOLV ATOM 8687 H1 TIP3 898 -8.238 -1.542 -16.973 0.00 0.00 SOLV ATOM 8688 H2 TIP3 898 -9.376 -0.868 -17.918 0.00 0.00 SOLV ATOM 8689 OH2 TIP3 899 -28.469 1.087 0.830 0.00 0.00 SOLV ATOM 8690 H1 TIP3 899 -27.790 1.481 1.451 0.00 0.00 SOLV ATOM 8691 H2 TIP3 899 -28.777 1.864 0.263 0.00 0.00 SOLV ATOM 8692 OH2 TIP3 900 -18.403 11.692 21.625 0.00 0.00 SOLV ATOM 8693 H1 TIP3 900 -17.828 12.364 21.959 0.00 0.00 SOLV ATOM 8694 H2 TIP3 900 -18.991 12.110 21.033 0.00 0.00 SOLV ATOM 8695 OH2 TIP3 901 -10.420 1.336 -41.487 0.00 0.00 SOLV ATOM 8696 H1 TIP3 901 -10.993 1.946 -41.850 0.00 0.00 SOLV ATOM 8697 H2 TIP3 901 -9.577 1.618 -41.821 0.00 0.00 SOLV ATOM 8698 OH2 TIP3 902 -0.297 27.897 -5.136 0.00 0.00 SOLV ATOM 8699 H1 TIP3 902 0.240 28.612 -5.509 0.00 0.00 SOLV ATOM 8700 H2 TIP3 902 0.367 27.159 -4.976 0.00 0.00 SOLV ATOM 8701 OH2 TIP3 903 -18.229 3.587 -36.774 0.00 0.00 SOLV ATOM 8702 H1 TIP3 903 -17.669 2.777 -36.675 0.00 0.00 SOLV ATOM 8703 H2 TIP3 903 -17.732 4.055 -37.476 0.00 0.00 SOLV ATOM 8704 OH2 TIP3 904 -23.442 10.997 -15.440 0.00 0.00 SOLV ATOM 8705 H1 TIP3 904 -22.533 11.159 -15.683 0.00 0.00 SOLV ATOM 8706 H2 TIP3 904 -23.600 10.240 -15.902 0.00 0.00 SOLV ATOM 8707 OH2 TIP3 905 -10.820 -10.970 -4.222 0.00 0.00 SOLV ATOM 8708 H1 TIP3 905 -11.517 -10.939 -3.556 0.00 0.00 SOLV ATOM 8709 H2 TIP3 905 -10.532 -11.923 -4.185 0.00 0.00 SOLV ATOM 8710 OH2 TIP3 906 -27.468 13.228 -19.053 0.00 0.00 SOLV ATOM 8711 H1 TIP3 906 -26.849 13.185 -18.292 0.00 0.00 SOLV ATOM 8712 H2 TIP3 906 -28.035 13.942 -18.755 0.00 0.00 SOLV ATOM 8713 OH2 TIP3 907 4.468 13.286 24.674 0.00 0.00 SOLV ATOM 8714 H1 TIP3 907 4.995 12.567 24.873 0.00 0.00 SOLV ATOM 8715 H2 TIP3 907 4.032 13.528 25.491 0.00 0.00 SOLV ATOM 8716 OH2 TIP3 908 -30.185 15.335 -10.419 0.00 0.00 SOLV ATOM 8717 H1 TIP3 908 -30.140 15.144 -9.522 0.00 0.00 SOLV ATOM 8718 H2 TIP3 908 -29.275 15.128 -10.648 0.00 0.00 SOLV ATOM 8719 OH2 TIP3 909 -18.517 13.735 -4.105 0.00 0.00 SOLV ATOM 8720 H1 TIP3 909 -19.060 13.300 -3.396 0.00 0.00 SOLV ATOM 8721 H2 TIP3 909 -18.298 14.599 -3.761 0.00 0.00 SOLV ATOM 8722 OH2 TIP3 910 8.633 7.532 15.935 0.00 0.00 SOLV ATOM 8723 H1 TIP3 910 9.356 7.536 15.354 0.00 0.00 SOLV ATOM 8724 H2 TIP3 910 7.856 7.343 15.483 0.00 0.00 SOLV ATOM 8725 OH2 TIP3 911 -34.640 8.133 5.086 0.00 0.00 SOLV ATOM 8726 H1 TIP3 911 -33.799 7.755 4.779 0.00 0.00 SOLV ATOM 8727 H2 TIP3 911 -35.298 7.336 5.062 0.00 0.00 SOLV ATOM 8728 OH2 TIP3 912 -12.248 4.814 -33.633 0.00 0.00 SOLV ATOM 8729 H1 TIP3 912 -11.391 4.452 -33.789 0.00 0.00 SOLV ATOM 8730 H2 TIP3 912 -12.113 5.783 -33.788 0.00 0.00 SOLV ATOM 8731 OH2 TIP3 913 -18.760 9.740 -21.695 0.00 0.00 SOLV ATOM 8732 H1 TIP3 913 -17.850 9.671 -22.070 0.00 0.00 SOLV ATOM 8733 H2 TIP3 913 -19.366 9.809 -22.457 0.00 0.00 SOLV ATOM 8734 OH2 TIP3 914 -12.134 9.849 -34.922 0.00 0.00 SOLV ATOM 8735 H1 TIP3 914 -13.108 9.590 -35.215 0.00 0.00 SOLV ATOM 8736 H2 TIP3 914 -11.714 8.978 -34.621 0.00 0.00 SOLV ATOM 8737 OH2 TIP3 915 -20.361 13.557 -23.507 0.00 0.00 SOLV ATOM 8738 H1 TIP3 915 -20.901 12.940 -24.056 0.00 0.00 SOLV ATOM 8739 H2 TIP3 915 -20.437 13.050 -22.645 0.00 0.00 SOLV ATOM 8740 OH2 TIP3 916 -13.433 3.114 -27.086 0.00 0.00 SOLV ATOM 8741 H1 TIP3 916 -14.399 2.952 -26.835 0.00 0.00 SOLV ATOM 8742 H2 TIP3 916 -13.075 2.305 -26.582 0.00 0.00 SOLV ATOM 8743 OH2 TIP3 917 -18.633 16.293 -25.835 0.00 0.00 SOLV ATOM 8744 H1 TIP3 917 -17.948 16.971 -25.526 0.00 0.00 SOLV ATOM 8745 H2 TIP3 917 -18.506 15.559 -25.244 0.00 0.00 SOLV ATOM 8746 OH2 TIP3 918 -11.069 -35.369 5.705 0.00 0.00 SOLV ATOM 8747 H1 TIP3 918 -10.754 -34.429 5.796 0.00 0.00 SOLV ATOM 8748 H2 TIP3 918 -10.238 -35.836 5.559 0.00 0.00 SOLV ATOM 8749 OH2 TIP3 919 -18.771 -31.162 4.852 0.00 0.00 SOLV ATOM 8750 H1 TIP3 919 -18.243 -30.407 4.435 0.00 0.00 SOLV ATOM 8751 H2 TIP3 919 -19.697 -30.990 4.571 0.00 0.00 SOLV ATOM 8752 OH2 TIP3 920 -15.007 -29.832 4.505 0.00 0.00 SOLV ATOM 8753 H1 TIP3 920 -14.289 -29.138 4.522 0.00 0.00 SOLV ATOM 8754 H2 TIP3 920 -14.880 -30.213 5.380 0.00 0.00 SOLV ATOM 8755 OH2 TIP3 921 -16.672 -29.833 -5.902 0.00 0.00 SOLV ATOM 8756 H1 TIP3 921 -16.897 -29.951 -6.801 0.00 0.00 SOLV ATOM 8757 H2 TIP3 921 -17.496 -29.932 -5.459 0.00 0.00 SOLV ATOM 8758 OH2 TIP3 922 -11.941 -18.530 -31.840 0.00 0.00 SOLV ATOM 8759 H1 TIP3 922 -11.957 -18.891 -30.932 0.00 0.00 SOLV ATOM 8760 H2 TIP3 922 -12.774 -18.907 -32.208 0.00 0.00 SOLV ATOM 8761 OH2 TIP3 923 -12.082 -30.413 -10.595 0.00 0.00 SOLV ATOM 8762 H1 TIP3 923 -11.707 -30.273 -11.470 0.00 0.00 SOLV ATOM 8763 H2 TIP3 923 -12.586 -31.241 -10.766 0.00 0.00 SOLV ATOM 8764 OH2 TIP3 924 -21.068 -18.403 -27.209 0.00 0.00 SOLV ATOM 8765 H1 TIP3 924 -21.133 -18.714 -26.353 0.00 0.00 SOLV ATOM 8766 H2 TIP3 924 -21.870 -18.648 -27.655 0.00 0.00 SOLV ATOM 8767 OH2 TIP3 925 -18.726 -34.395 5.107 0.00 0.00 SOLV ATOM 8768 H1 TIP3 925 -18.933 -35.040 5.858 0.00 0.00 SOLV ATOM 8769 H2 TIP3 925 -19.331 -33.664 5.267 0.00 0.00 SOLV ATOM 8770 OH2 TIP3 926 -5.934 -19.192 -21.034 0.00 0.00 SOLV ATOM 8771 H1 TIP3 926 -5.314 -19.787 -20.535 0.00 0.00 SOLV ATOM 8772 H2 TIP3 926 -6.817 -19.629 -21.199 0.00 0.00 SOLV ATOM 8773 OH2 TIP3 927 -13.682 -29.505 -8.090 0.00 0.00 SOLV ATOM 8774 H1 TIP3 927 -12.864 -29.720 -8.591 0.00 0.00 SOLV ATOM 8775 H2 TIP3 927 -13.928 -30.336 -7.640 0.00 0.00 SOLV ATOM 8776 OH2 TIP3 928 -22.705 -26.370 6.242 0.00 0.00 SOLV ATOM 8777 H1 TIP3 928 -22.398 -27.246 5.968 0.00 0.00 SOLV ATOM 8778 H2 TIP3 928 -22.019 -26.073 6.860 0.00 0.00 SOLV ATOM 8779 OH2 TIP3 929 -5.012 -30.510 -22.963 0.00 0.00 SOLV ATOM 8780 H1 TIP3 929 -5.748 -30.110 -22.469 0.00 0.00 SOLV ATOM 8781 H2 TIP3 929 -4.251 -30.311 -22.333 0.00 0.00 SOLV ATOM 8782 OH2 TIP3 930 -4.303 -17.681 -30.812 0.00 0.00 SOLV ATOM 8783 H1 TIP3 930 -3.532 -17.058 -31.032 0.00 0.00 SOLV ATOM 8784 H2 TIP3 930 -4.887 -17.018 -30.522 0.00 0.00 SOLV ATOM 8785 OH2 TIP3 931 -15.508 -29.174 -17.586 0.00 0.00 SOLV ATOM 8786 H1 TIP3 931 -15.778 -28.669 -16.712 0.00 0.00 SOLV ATOM 8787 H2 TIP3 931 -15.557 -28.450 -18.228 0.00 0.00 SOLV ATOM 8788 OH2 TIP3 932 -1.989 -22.031 -4.685 0.00 0.00 SOLV ATOM 8789 H1 TIP3 932 -1.996 -21.199 -5.177 0.00 0.00 SOLV ATOM 8790 H2 TIP3 932 -2.410 -22.657 -5.332 0.00 0.00 SOLV ATOM 8791 OH2 TIP3 933 -18.049 -26.938 -8.710 0.00 0.00 SOLV ATOM 8792 H1 TIP3 933 -18.818 -27.495 -8.909 0.00 0.00 SOLV ATOM 8793 H2 TIP3 933 -17.941 -26.422 -9.545 0.00 0.00 SOLV ATOM 8794 OH2 TIP3 934 -15.624 -21.968 -4.385 0.00 0.00 SOLV ATOM 8795 H1 TIP3 934 -14.857 -22.168 -3.951 0.00 0.00 SOLV ATOM 8796 H2 TIP3 934 -15.937 -22.855 -4.604 0.00 0.00 SOLV ATOM 8797 OH2 TIP3 935 9.791 0.842 -7.814 0.00 0.00 SOLV ATOM 8798 H1 TIP3 935 10.722 0.982 -8.174 0.00 0.00 SOLV ATOM 8799 H2 TIP3 935 9.930 1.062 -6.856 0.00 0.00 SOLV ATOM 8800 OH2 TIP3 936 -23.028 -22.985 -23.781 0.00 0.00 SOLV ATOM 8801 H1 TIP3 936 -23.554 -23.751 -23.730 0.00 0.00 SOLV ATOM 8802 H2 TIP3 936 -23.631 -22.198 -24.013 0.00 0.00 SOLV ATOM 8803 OH2 TIP3 937 -2.197 -28.552 -18.910 0.00 0.00 SOLV ATOM 8804 H1 TIP3 937 -3.117 -28.568 -18.897 0.00 0.00 SOLV ATOM 8805 H2 TIP3 937 -1.965 -29.371 -18.453 0.00 0.00 SOLV ATOM 8806 OH2 TIP3 938 -16.048 -22.749 -31.422 0.00 0.00 SOLV ATOM 8807 H1 TIP3 938 -16.249 -21.949 -31.914 0.00 0.00 SOLV ATOM 8808 H2 TIP3 938 -16.938 -22.960 -31.068 0.00 0.00 SOLV ATOM 8809 OH2 TIP3 939 -17.739 -31.482 -12.533 0.00 0.00 SOLV ATOM 8810 H1 TIP3 939 -17.241 -32.297 -12.311 0.00 0.00 SOLV ATOM 8811 H2 TIP3 939 -18.646 -31.802 -12.470 0.00 0.00 SOLV ATOM 8812 OH2 TIP3 940 -15.231 -27.688 2.309 0.00 0.00 SOLV ATOM 8813 H1 TIP3 940 -15.637 -26.967 1.718 0.00 0.00 SOLV ATOM 8814 H2 TIP3 940 -15.261 -28.487 1.699 0.00 0.00 SOLV ATOM 8815 OH2 TIP3 941 -6.429 -27.512 4.730 0.00 0.00 SOLV ATOM 8816 H1 TIP3 941 -7.271 -27.730 4.314 0.00 0.00 SOLV ATOM 8817 H2 TIP3 941 -6.754 -27.288 5.616 0.00 0.00 SOLV ATOM 8818 OH2 TIP3 942 2.131 -28.660 1.069 0.00 0.00 SOLV ATOM 8819 H1 TIP3 942 1.317 -28.552 0.510 0.00 0.00 SOLV ATOM 8820 H2 TIP3 942 2.257 -29.653 1.032 0.00 0.00 SOLV ATOM 8821 OH2 TIP3 943 1.615 -13.474 2.801 0.00 0.00 SOLV ATOM 8822 H1 TIP3 943 0.948 -12.957 2.515 0.00 0.00 SOLV ATOM 8823 H2 TIP3 943 1.370 -13.665 3.722 0.00 0.00 SOLV ATOM 8824 OH2 TIP3 944 -7.519 -15.091 -37.764 0.00 0.00 SOLV ATOM 8825 H1 TIP3 944 -7.593 -15.626 -36.914 0.00 0.00 SOLV ATOM 8826 H2 TIP3 944 -7.429 -15.764 -38.419 0.00 0.00 SOLV ATOM 8827 OH2 TIP3 945 -23.728 -15.073 -28.794 0.00 0.00 SOLV ATOM 8828 H1 TIP3 945 -23.543 -15.533 -29.669 0.00 0.00 SOLV ATOM 8829 H2 TIP3 945 -24.644 -15.216 -28.689 0.00 0.00 SOLV ATOM 8830 OH2 TIP3 946 -13.465 -23.130 -32.626 0.00 0.00 SOLV ATOM 8831 H1 TIP3 946 -13.884 -23.950 -32.958 0.00 0.00 SOLV ATOM 8832 H2 TIP3 946 -14.238 -22.551 -32.514 0.00 0.00 SOLV ATOM 8833 OH2 TIP3 947 -16.173 -14.004 23.120 0.00 0.00 SOLV ATOM 8834 H1 TIP3 947 -16.283 -13.158 22.720 0.00 0.00 SOLV ATOM 8835 H2 TIP3 947 -16.896 -14.096 23.713 0.00 0.00 SOLV ATOM 8836 OH2 TIP3 948 -1.251 -25.569 -25.583 0.00 0.00 SOLV ATOM 8837 H1 TIP3 948 -1.868 -26.059 -25.037 0.00 0.00 SOLV ATOM 8838 H2 TIP3 948 -1.486 -25.790 -26.450 0.00 0.00 SOLV ATOM 8839 OH2 TIP3 949 -13.991 -17.447 -1.330 0.00 0.00 SOLV ATOM 8840 H1 TIP3 949 -13.291 -16.763 -1.108 0.00 0.00 SOLV ATOM 8841 H2 TIP3 949 -14.083 -17.420 -2.260 0.00 0.00 SOLV ATOM 8842 OH2 TIP3 950 -2.255 -21.592 -0.299 0.00 0.00 SOLV ATOM 8843 H1 TIP3 950 -2.278 -21.943 0.569 0.00 0.00 SOLV ATOM 8844 H2 TIP3 950 -1.332 -21.266 -0.455 0.00 0.00 SOLV ATOM 8845 OH2 TIP3 951 -17.771 -11.848 -12.156 0.00 0.00 SOLV ATOM 8846 H1 TIP3 951 -18.352 -12.579 -11.800 0.00 0.00 SOLV ATOM 8847 H2 TIP3 951 -16.841 -12.108 -11.929 0.00 0.00 SOLV ATOM 8848 OH2 TIP3 952 -0.633 -7.663 -17.328 0.00 0.00 SOLV ATOM 8849 H1 TIP3 952 -0.457 -8.372 -16.718 0.00 0.00 SOLV ATOM 8850 H2 TIP3 952 -0.418 -6.944 -16.745 0.00 0.00 SOLV ATOM 8851 OH2 TIP3 953 -13.689 -26.127 -13.439 0.00 0.00 SOLV ATOM 8852 H1 TIP3 953 -13.893 -27.017 -13.152 0.00 0.00 SOLV ATOM 8853 H2 TIP3 953 -14.005 -26.072 -14.379 0.00 0.00 SOLV ATOM 8854 OH2 TIP3 954 -15.861 -18.200 -35.797 0.00 0.00 SOLV ATOM 8855 H1 TIP3 954 -15.222 -18.815 -35.463 0.00 0.00 SOLV ATOM 8856 H2 TIP3 954 -16.445 -18.831 -36.300 0.00 0.00 SOLV ATOM 8857 OH2 TIP3 955 -15.342 -17.600 -30.860 0.00 0.00 SOLV ATOM 8858 H1 TIP3 955 -16.138 -17.557 -30.323 0.00 0.00 SOLV ATOM 8859 H2 TIP3 955 -14.632 -17.754 -30.174 0.00 0.00 SOLV ATOM 8860 OH2 TIP3 956 -4.735 -17.860 -13.032 0.00 0.00 SOLV ATOM 8861 H1 TIP3 956 -5.363 -18.689 -13.177 0.00 0.00 SOLV ATOM 8862 H2 TIP3 956 -5.407 -17.148 -12.873 0.00 0.00 SOLV ATOM 8863 OH2 TIP3 957 -12.535 -29.262 -18.664 0.00 0.00 SOLV ATOM 8864 H1 TIP3 957 -13.050 -29.884 -18.136 0.00 0.00 SOLV ATOM 8865 H2 TIP3 957 -12.752 -29.539 -19.568 0.00 0.00 SOLV ATOM 8866 OH2 TIP3 958 -20.477 -17.823 -22.636 0.00 0.00 SOLV ATOM 8867 H1 TIP3 958 -20.781 -16.951 -22.273 0.00 0.00 SOLV ATOM 8868 H2 TIP3 958 -19.520 -17.724 -22.581 0.00 0.00 SOLV ATOM 8869 OH2 TIP3 959 -9.895 -10.539 -6.925 0.00 0.00 SOLV ATOM 8870 H1 TIP3 959 -10.215 -10.758 -6.070 0.00 0.00 SOLV ATOM 8871 H2 TIP3 959 -10.072 -11.277 -7.510 0.00 0.00 SOLV ATOM 8872 OH2 TIP3 960 -21.751 -21.633 -12.063 0.00 0.00 SOLV ATOM 8873 H1 TIP3 960 -20.906 -21.397 -12.540 0.00 0.00 SOLV ATOM 8874 H2 TIP3 960 -22.290 -21.933 -12.804 0.00 0.00 SOLV ATOM 8875 OH2 TIP3 961 -17.625 -18.724 -11.339 0.00 0.00 SOLV ATOM 8876 H1 TIP3 961 -18.177 -18.209 -10.706 0.00 0.00 SOLV ATOM 8877 H2 TIP3 961 -17.149 -19.287 -10.715 0.00 0.00 SOLV ATOM 8878 OH2 TIP3 962 -14.937 -6.973 19.867 0.00 0.00 SOLV ATOM 8879 H1 TIP3 962 -15.263 -7.620 20.499 0.00 0.00 SOLV ATOM 8880 H2 TIP3 962 -14.599 -7.509 19.110 0.00 0.00 SOLV ATOM 8881 OH2 TIP3 963 -13.453 -32.590 13.034 0.00 0.00 SOLV ATOM 8882 H1 TIP3 963 -14.232 -32.061 12.673 0.00 0.00 SOLV ATOM 8883 H2 TIP3 963 -13.228 -32.121 13.880 0.00 0.00 SOLV ATOM 8884 OH2 TIP3 964 -19.878 -10.681 3.525 0.00 0.00 SOLV ATOM 8885 H1 TIP3 964 -19.013 -10.258 3.620 0.00 0.00 SOLV ATOM 8886 H2 TIP3 964 -20.193 -10.688 4.464 0.00 0.00 SOLV ATOM 8887 OH2 TIP3 965 -8.908 -19.325 0.099 0.00 0.00 SOLV ATOM 8888 H1 TIP3 965 -8.476 -18.624 -0.390 0.00 0.00 SOLV ATOM 8889 H2 TIP3 965 -9.213 -19.922 -0.620 0.00 0.00 SOLV ATOM 8890 OH2 TIP3 966 -3.820 -21.992 3.633 0.00 0.00 SOLV ATOM 8891 H1 TIP3 966 -4.615 -22.041 3.167 0.00 0.00 SOLV ATOM 8892 H2 TIP3 966 -3.778 -21.150 4.041 0.00 0.00 SOLV ATOM 8893 OH2 TIP3 967 -14.007 -13.712 -37.121 0.00 0.00 SOLV ATOM 8894 H1 TIP3 967 -14.507 -12.883 -36.786 0.00 0.00 SOLV ATOM 8895 H2 TIP3 967 -14.416 -14.453 -36.678 0.00 0.00 SOLV ATOM 8896 OH2 TIP3 968 -15.115 -9.865 -33.080 0.00 0.00 SOLV ATOM 8897 H1 TIP3 968 -15.604 -10.107 -32.244 0.00 0.00 SOLV ATOM 8898 H2 TIP3 968 -15.389 -10.542 -33.704 0.00 0.00 SOLV ATOM 8899 OH2 TIP3 969 -22.845 -12.075 -28.238 0.00 0.00 SOLV ATOM 8900 H1 TIP3 969 -23.238 -12.552 -28.931 0.00 0.00 SOLV ATOM 8901 H2 TIP3 969 -22.293 -11.415 -28.708 0.00 0.00 SOLV ATOM 8902 OH2 TIP3 970 3.532 -8.896 -31.124 0.00 0.00 SOLV ATOM 8903 H1 TIP3 970 3.148 -8.870 -30.224 0.00 0.00 SOLV ATOM 8904 H2 TIP3 970 4.512 -9.009 -30.937 0.00 0.00 SOLV ATOM 8905 OH2 TIP3 971 -13.905 -15.171 -28.212 0.00 0.00 SOLV ATOM 8906 H1 TIP3 971 -14.846 -14.978 -28.291 0.00 0.00 SOLV ATOM 8907 H2 TIP3 971 -13.868 -16.152 -28.310 0.00 0.00 SOLV ATOM 8908 OH2 TIP3 972 -4.812 -30.598 -18.974 0.00 0.00 SOLV ATOM 8909 H1 TIP3 972 -4.271 -30.821 -18.195 0.00 0.00 SOLV ATOM 8910 H2 TIP3 972 -5.714 -30.683 -18.674 0.00 0.00 SOLV ATOM 8911 OH2 TIP3 973 -24.626 -13.497 -18.302 0.00 0.00 SOLV ATOM 8912 H1 TIP3 973 -25.477 -13.628 -17.801 0.00 0.00 SOLV ATOM 8913 H2 TIP3 973 -24.313 -14.386 -18.613 0.00 0.00 SOLV ATOM 8914 OH2 TIP3 974 -25.888 -19.219 -19.748 0.00 0.00 SOLV ATOM 8915 H1 TIP3 974 -25.108 -19.142 -20.411 0.00 0.00 SOLV ATOM 8916 H2 TIP3 974 -25.441 -19.430 -18.858 0.00 0.00 SOLV ATOM 8917 OH2 TIP3 975 -15.307 -21.123 -9.359 0.00 0.00 SOLV ATOM 8918 H1 TIP3 975 -15.381 -21.975 -8.877 0.00 0.00 SOLV ATOM 8919 H2 TIP3 975 -16.039 -20.523 -9.074 0.00 0.00 SOLV ATOM 8920 OH2 TIP3 976 -5.413 -6.952 7.294 0.00 0.00 SOLV ATOM 8921 H1 TIP3 976 -5.487 -6.382 8.081 0.00 0.00 SOLV ATOM 8922 H2 TIP3 976 -6.071 -7.640 7.504 0.00 0.00 SOLV ATOM 8923 OH2 TIP3 977 -19.020 15.065 -12.171 0.00 0.00 SOLV ATOM 8924 H1 TIP3 977 -18.829 14.311 -12.758 0.00 0.00 SOLV ATOM 8925 H2 TIP3 977 -19.296 14.606 -11.394 0.00 0.00 SOLV ATOM 8926 OH2 TIP3 978 -15.068 -24.369 6.754 0.00 0.00 SOLV ATOM 8927 H1 TIP3 978 -15.315 -23.459 6.430 0.00 0.00 SOLV ATOM 8928 H2 TIP3 978 -15.032 -24.218 7.698 0.00 0.00 SOLV ATOM 8929 OH2 TIP3 979 -18.564 -15.703 5.267 0.00 0.00 SOLV ATOM 8930 H1 TIP3 979 -19.351 -15.722 5.824 0.00 0.00 SOLV ATOM 8931 H2 TIP3 979 -18.493 -14.762 4.970 0.00 0.00 SOLV ATOM 8932 OH2 TIP3 980 -13.501 -4.616 -47.153 0.00 0.00 SOLV ATOM 8933 H1 TIP3 980 -13.832 -5.078 -46.376 0.00 0.00 SOLV ATOM 8934 H2 TIP3 980 -13.281 -3.781 -46.807 0.00 0.00 SOLV ATOM 8935 OH2 TIP3 981 -7.666 0.482 -42.640 0.00 0.00 SOLV ATOM 8936 H1 TIP3 981 -7.615 1.044 -43.510 0.00 0.00 SOLV ATOM 8937 H2 TIP3 981 -6.867 0.630 -42.183 0.00 0.00 SOLV ATOM 8938 OH2 TIP3 982 -0.023 -13.763 -13.785 0.00 0.00 SOLV ATOM 8939 H1 TIP3 982 0.514 -14.561 -13.544 0.00 0.00 SOLV ATOM 8940 H2 TIP3 982 -0.243 -13.971 -14.713 0.00 0.00 SOLV ATOM 8941 OH2 TIP3 983 -15.804 -11.087 -26.258 0.00 0.00 SOLV ATOM 8942 H1 TIP3 983 -14.944 -10.895 -25.900 0.00 0.00 SOLV ATOM 8943 H2 TIP3 983 -16.024 -11.920 -25.735 0.00 0.00 SOLV ATOM 8944 OH2 TIP3 984 -23.003 0.843 -27.140 0.00 0.00 SOLV ATOM 8945 H1 TIP3 984 -22.656 0.986 -26.223 0.00 0.00 SOLV ATOM 8946 H2 TIP3 984 -22.533 1.590 -27.624 0.00 0.00 SOLV ATOM 8947 OH2 TIP3 985 -16.964 -2.280 -21.539 0.00 0.00 SOLV ATOM 8948 H1 TIP3 985 -16.625 -3.154 -21.718 0.00 0.00 SOLV ATOM 8949 H2 TIP3 985 -17.932 -2.327 -21.698 0.00 0.00 SOLV ATOM 8950 OH2 TIP3 986 -10.961 -16.135 -36.622 0.00 0.00 SOLV ATOM 8951 H1 TIP3 986 -11.290 -16.354 -37.506 0.00 0.00 SOLV ATOM 8952 H2 TIP3 986 -11.331 -15.222 -36.476 0.00 0.00 SOLV ATOM 8953 OH2 TIP3 987 -11.911 -13.199 -27.078 0.00 0.00 SOLV ATOM 8954 H1 TIP3 987 -12.633 -13.755 -27.244 0.00 0.00 SOLV ATOM 8955 H2 TIP3 987 -11.982 -12.640 -27.840 0.00 0.00 SOLV ATOM 8956 OH2 TIP3 988 -18.526 -4.491 -13.573 0.00 0.00 SOLV ATOM 8957 H1 TIP3 988 -19.528 -4.626 -13.691 0.00 0.00 SOLV ATOM 8958 H2 TIP3 988 -18.447 -4.773 -12.696 0.00 0.00 SOLV ATOM 8959 OH2 TIP3 989 -22.063 -2.516 26.065 0.00 0.00 SOLV ATOM 8960 H1 TIP3 989 -22.583 -2.902 26.743 0.00 0.00 SOLV ATOM 8961 H2 TIP3 989 -21.929 -3.289 25.446 0.00 0.00 SOLV ATOM 8962 OH2 TIP3 990 -3.866 -19.054 -3.424 0.00 0.00 SOLV ATOM 8963 H1 TIP3 990 -3.970 -18.189 -3.055 0.00 0.00 SOLV ATOM 8964 H2 TIP3 990 -4.780 -19.358 -3.588 0.00 0.00 SOLV ATOM 8965 OH2 TIP3 991 -15.366 -2.249 -11.510 0.00 0.00 SOLV ATOM 8966 H1 TIP3 991 -14.778 -2.158 -12.245 0.00 0.00 SOLV ATOM 8967 H2 TIP3 991 -15.583 -1.303 -11.303 0.00 0.00 SOLV ATOM 8968 OH2 TIP3 992 0.188 -18.199 -9.891 0.00 0.00 SOLV ATOM 8969 H1 TIP3 992 1.102 -17.890 -9.706 0.00 0.00 SOLV ATOM 8970 H2 TIP3 992 -0.288 -17.481 -9.539 0.00 0.00 SOLV ATOM 8971 OH2 TIP3 993 -25.578 -16.311 0.577 0.00 0.00 SOLV ATOM 8972 H1 TIP3 993 -25.622 -17.137 0.050 0.00 0.00 SOLV ATOM 8973 H2 TIP3 993 -25.733 -16.594 1.473 0.00 0.00 SOLV ATOM 8974 OH2 TIP3 994 -12.519 -17.638 -34.822 0.00 0.00 SOLV ATOM 8975 H1 TIP3 994 -11.885 -17.102 -35.328 0.00 0.00 SOLV ATOM 8976 H2 TIP3 994 -12.949 -16.985 -34.221 0.00 0.00 SOLV ATOM 8977 OH2 TIP3 995 -13.171 -0.372 -44.740 0.00 0.00 SOLV ATOM 8978 H1 TIP3 995 -12.379 -0.792 -44.282 0.00 0.00 SOLV ATOM 8979 H2 TIP3 995 -13.365 -0.965 -45.450 0.00 0.00 SOLV ATOM 8980 OH2 TIP3 996 -2.408 -10.181 -42.876 0.00 0.00 SOLV ATOM 8981 H1 TIP3 996 -2.915 -10.518 -42.102 0.00 0.00 SOLV ATOM 8982 H2 TIP3 996 -1.542 -10.484 -42.519 0.00 0.00 SOLV ATOM 8983 OH2 TIP3 997 -14.846 -13.363 -14.209 0.00 0.00 SOLV ATOM 8984 H1 TIP3 997 -14.788 -13.893 -14.994 0.00 0.00 SOLV ATOM 8985 H2 TIP3 997 -14.639 -12.381 -14.464 0.00 0.00 SOLV ATOM 8986 OH2 TIP3 998 -19.464 -12.940 -35.916 0.00 0.00 SOLV ATOM 8987 H1 TIP3 998 -20.108 -12.323 -35.462 0.00 0.00 SOLV ATOM 8988 H2 TIP3 998 -19.441 -13.650 -35.259 0.00 0.00 SOLV ATOM 8989 OH2 TIP3 999 -14.410 -19.684 -32.382 0.00 0.00 SOLV ATOM 8990 H1 TIP3 999 -14.803 -18.907 -31.936 0.00 0.00 SOLV ATOM 8991 H2 TIP3 999 -15.146 -20.185 -32.742 0.00 0.00 SOLV ATOM 8992 OH2 TIP3 1000 -19.532 -5.468 6.152 0.00 0.00 SOLV ATOM 8993 H1 TIP3 1000 -19.790 -4.615 6.516 0.00 0.00 SOLV ATOM 8994 H2 TIP3 1000 -19.018 -5.889 6.842 0.00 0.00 SOLV ATOM 8995 OH2 TIP3 1001 -20.077 -11.933 -25.466 0.00 0.00 SOLV ATOM 8996 H1 TIP3 1001 -20.049 -12.479 -26.249 0.00 0.00 SOLV ATOM 8997 H2 TIP3 1001 -20.457 -12.447 -24.760 0.00 0.00 SOLV ATOM 8998 OH2 TIP3 1002 -19.564 -10.884 -2.227 0.00 0.00 SOLV ATOM 8999 H1 TIP3 1002 -19.959 -10.404 -1.518 0.00 0.00 SOLV ATOM 9000 H2 TIP3 1002 -19.627 -10.216 -2.938 0.00 0.00 SOLV ATOM 9001 OH2 TIP3 1003 -19.799 -14.712 -6.741 0.00 0.00 SOLV ATOM 9002 H1 TIP3 1003 -18.835 -14.486 -6.978 0.00 0.00 SOLV ATOM 9003 H2 TIP3 1003 -20.368 -14.583 -7.547 0.00 0.00 SOLV ATOM 9004 OH2 TIP3 1004 -10.747 -0.200 -47.179 0.00 0.00 SOLV ATOM 9005 H1 TIP3 1004 -11.698 -0.383 -46.993 0.00 0.00 SOLV ATOM 9006 H2 TIP3 1004 -10.454 0.181 -46.329 0.00 0.00 SOLV ATOM 9007 OH2 TIP3 1005 -21.728 -18.903 2.665 0.00 0.00 SOLV ATOM 9008 H1 TIP3 1005 -20.865 -18.762 2.997 0.00 0.00 SOLV ATOM 9009 H2 TIP3 1005 -21.714 -18.715 1.700 0.00 0.00 SOLV ATOM 9010 OH2 TIP3 1006 -4.835 -6.618 -46.477 0.00 0.00 SOLV ATOM 9011 H1 TIP3 1006 -4.221 -5.994 -46.884 0.00 0.00 SOLV ATOM 9012 H2 TIP3 1006 -4.388 -7.463 -46.365 0.00 0.00 SOLV ATOM 9013 OH2 TIP3 1007 -1.208 -0.111 -42.545 0.00 0.00 SOLV ATOM 9014 H1 TIP3 1007 -1.895 -0.229 -41.855 0.00 0.00 SOLV ATOM 9015 H2 TIP3 1007 -1.561 -0.752 -43.168 0.00 0.00 SOLV ATOM 9016 OH2 TIP3 1008 -10.869 -7.023 -45.907 0.00 0.00 SOLV ATOM 9017 H1 TIP3 1008 -10.106 -6.580 -45.464 0.00 0.00 SOLV ATOM 9018 H2 TIP3 1008 -10.589 -7.139 -46.793 0.00 0.00 SOLV ATOM 9019 OH2 TIP3 1009 -11.086 -8.157 -41.504 0.00 0.00 SOLV ATOM 9020 H1 TIP3 1009 -11.950 -8.131 -41.969 0.00 0.00 SOLV ATOM 9021 H2 TIP3 1009 -10.443 -7.639 -42.068 0.00 0.00 SOLV ATOM 9022 OH2 TIP3 1010 -13.283 14.072 -26.163 0.00 0.00 SOLV ATOM 9023 H1 TIP3 1010 -13.948 14.668 -25.786 0.00 0.00 SOLV ATOM 9024 H2 TIP3 1010 -12.959 14.612 -26.925 0.00 0.00 SOLV ATOM 9025 OH2 TIP3 1011 -17.900 -6.634 -23.069 0.00 0.00 SOLV ATOM 9026 H1 TIP3 1011 -17.979 -7.565 -23.175 0.00 0.00 SOLV ATOM 9027 H2 TIP3 1011 -18.231 -6.314 -23.920 0.00 0.00 SOLV ATOM 9028 OH2 TIP3 1012 -12.464 -9.495 -33.621 0.00 0.00 SOLV ATOM 9029 H1 TIP3 1012 -13.321 -9.410 -33.151 0.00 0.00 SOLV ATOM 9030 H2 TIP3 1012 -12.692 -9.363 -34.585 0.00 0.00 SOLV ATOM 9031 OH2 TIP3 1013 -21.686 -1.533 -26.670 0.00 0.00 SOLV ATOM 9032 H1 TIP3 1013 -22.240 -0.767 -26.743 0.00 0.00 SOLV ATOM 9033 H2 TIP3 1013 -21.111 -1.326 -25.879 0.00 0.00 SOLV ATOM 9034 OH2 TIP3 1014 -12.247 -12.542 -20.880 0.00 0.00 SOLV ATOM 9035 H1 TIP3 1014 -11.410 -12.053 -20.956 0.00 0.00 SOLV ATOM 9036 H2 TIP3 1014 -12.961 -11.919 -21.213 0.00 0.00 SOLV ATOM 9037 OH2 TIP3 1015 -20.242 -1.460 -20.056 0.00 0.00 SOLV ATOM 9038 H1 TIP3 1015 -19.687 -2.168 -19.837 0.00 0.00 SOLV ATOM 9039 H2 TIP3 1015 -20.328 -1.473 -21.062 0.00 0.00 SOLV ATOM 9040 OH2 TIP3 1016 -23.816 -13.394 -13.564 0.00 0.00 SOLV ATOM 9041 H1 TIP3 1016 -23.297 -12.800 -14.088 0.00 0.00 SOLV ATOM 9042 H2 TIP3 1016 -24.029 -12.808 -12.836 0.00 0.00 SOLV ATOM 9043 OH2 TIP3 1017 -5.457 -8.425 16.044 0.00 0.00 SOLV ATOM 9044 H1 TIP3 1017 -5.866 -8.158 15.197 0.00 0.00 SOLV ATOM 9045 H2 TIP3 1017 -4.528 -8.188 15.893 0.00 0.00 SOLV ATOM 9046 OH2 TIP3 1018 -15.006 -17.467 7.264 0.00 0.00 SOLV ATOM 9047 H1 TIP3 1018 -15.158 -16.634 6.858 0.00 0.00 SOLV ATOM 9048 H2 TIP3 1018 -14.283 -17.910 6.681 0.00 0.00 SOLV ATOM 9049 OH2 TIP3 1019 -7.326 -4.787 -47.291 0.00 0.00 SOLV ATOM 9050 H1 TIP3 1019 -8.247 -4.495 -47.412 0.00 0.00 SOLV ATOM 9051 H2 TIP3 1019 -7.294 -5.062 -46.333 0.00 0.00 SOLV ATOM 9052 OH2 TIP3 1020 -19.692 -8.388 -15.067 0.00 0.00 SOLV ATOM 9053 H1 TIP3 1020 -19.030 -9.022 -14.764 0.00 0.00 SOLV ATOM 9054 H2 TIP3 1020 -20.437 -8.970 -15.107 0.00 0.00 SOLV ATOM 9055 OH2 TIP3 1021 -9.662 13.941 -25.481 0.00 0.00 SOLV ATOM 9056 H1 TIP3 1021 -9.450 14.085 -24.497 0.00 0.00 SOLV ATOM 9057 H2 TIP3 1021 -10.501 13.473 -25.382 0.00 0.00 SOLV ATOM 9058 OH2 TIP3 1022 -18.096 -25.367 -23.888 0.00 0.00 SOLV ATOM 9059 H1 TIP3 1022 -19.055 -25.158 -24.044 0.00 0.00 SOLV ATOM 9060 H2 TIP3 1022 -17.701 -25.251 -24.767 0.00 0.00 SOLV ATOM 9061 OH2 TIP3 1023 -14.657 -5.940 -19.387 0.00 0.00 SOLV ATOM 9062 H1 TIP3 1023 -14.030 -5.967 -20.165 0.00 0.00 SOLV ATOM 9063 H2 TIP3 1023 -13.942 -5.683 -18.694 0.00 0.00 SOLV ATOM 9064 OH2 TIP3 1024 -31.285 1.956 -7.123 0.00 0.00 SOLV ATOM 9065 H1 TIP3 1024 -30.817 1.193 -6.753 0.00 0.00 SOLV ATOM 9066 H2 TIP3 1024 -30.943 1.941 -8.058 0.00 0.00 SOLV ATOM 9067 OH2 TIP3 1025 -12.403 -15.221 -0.734 0.00 0.00 SOLV ATOM 9068 H1 TIP3 1025 -13.078 -14.515 -0.623 0.00 0.00 SOLV ATOM 9069 H2 TIP3 1025 -11.758 -15.105 -0.042 0.00 0.00 SOLV ATOM 9070 OH2 TIP3 1026 -7.314 -18.144 -6.167 0.00 0.00 SOLV ATOM 9071 H1 TIP3 1026 -7.004 -18.520 -5.322 0.00 0.00 SOLV ATOM 9072 H2 TIP3 1026 -7.955 -18.821 -6.397 0.00 0.00 SOLV ATOM 9073 OH2 TIP3 1027 -27.930 -9.871 -9.029 0.00 0.00 SOLV ATOM 9074 H1 TIP3 1027 -28.914 -9.748 -9.083 0.00 0.00 SOLV ATOM 9075 H2 TIP3 1027 -27.673 -10.006 -9.930 0.00 0.00 SOLV ATOM 9076 OH2 TIP3 1028 1.864 -20.967 16.743 0.00 0.00 SOLV ATOM 9077 H1 TIP3 1028 1.236 -21.358 17.387 0.00 0.00 SOLV ATOM 9078 H2 TIP3 1028 2.650 -21.496 16.919 0.00 0.00 SOLV ATOM 9079 OH2 TIP3 1029 -17.686 -7.856 -32.203 0.00 0.00 SOLV ATOM 9080 H1 TIP3 1029 -16.835 -8.042 -32.512 0.00 0.00 SOLV ATOM 9081 H2 TIP3 1029 -18.221 -7.937 -33.036 0.00 0.00 SOLV ATOM 9082 OH2 TIP3 1030 -21.258 -9.489 -35.000 0.00 0.00 SOLV ATOM 9083 H1 TIP3 1030 -20.541 -8.972 -35.199 0.00 0.00 SOLV ATOM 9084 H2 TIP3 1030 -22.023 -8.914 -35.189 0.00 0.00 SOLV ATOM 9085 OH2 TIP3 1031 -3.763 -4.172 -40.052 0.00 0.00 SOLV ATOM 9086 H1 TIP3 1031 -4.256 -3.919 -39.274 0.00 0.00 SOLV ATOM 9087 H2 TIP3 1031 -3.476 -5.094 -39.791 0.00 0.00 SOLV ATOM 9088 OH2 TIP3 1032 -2.917 -1.195 -37.111 0.00 0.00 SOLV ATOM 9089 H1 TIP3 1032 -3.755 -1.674 -37.021 0.00 0.00 SOLV ATOM 9090 H2 TIP3 1032 -2.285 -1.914 -37.293 0.00 0.00 SOLV ATOM 9091 OH2 TIP3 1033 -16.578 20.478 -18.810 0.00 0.00 SOLV ATOM 9092 H1 TIP3 1033 -17.465 20.386 -18.487 0.00 0.00 SOLV ATOM 9093 H2 TIP3 1033 -16.603 19.826 -19.464 0.00 0.00 SOLV ATOM 9094 OH2 TIP3 1034 -19.281 -13.905 0.203 0.00 0.00 SOLV ATOM 9095 H1 TIP3 1034 -19.816 -13.589 0.960 0.00 0.00 SOLV ATOM 9096 H2 TIP3 1034 -19.074 -14.849 0.411 0.00 0.00 SOLV ATOM 9097 OH2 TIP3 1035 -20.537 2.403 -15.730 0.00 0.00 SOLV ATOM 9098 H1 TIP3 1035 -20.783 1.666 -15.112 0.00 0.00 SOLV ATOM 9099 H2 TIP3 1035 -19.851 2.921 -15.195 0.00 0.00 SOLV ATOM 9100 OH2 TIP3 1036 -10.639 1.965 -45.307 0.00 0.00 SOLV ATOM 9101 H1 TIP3 1036 -11.534 2.398 -45.326 0.00 0.00 SOLV ATOM 9102 H2 TIP3 1036 -10.610 1.409 -44.488 0.00 0.00 SOLV ATOM 9103 OH2 TIP3 1037 -16.582 -15.062 -27.339 0.00 0.00 SOLV ATOM 9104 H1 TIP3 1037 -17.048 -14.154 -27.370 0.00 0.00 SOLV ATOM 9105 H2 TIP3 1037 -17.284 -15.673 -26.973 0.00 0.00 SOLV ATOM 9106 OH2 TIP3 1038 -8.334 8.611 -42.358 0.00 0.00 SOLV ATOM 9107 H1 TIP3 1038 -8.594 9.527 -42.492 0.00 0.00 SOLV ATOM 9108 H2 TIP3 1038 -7.548 8.587 -42.935 0.00 0.00 SOLV ATOM 9109 OH2 TIP3 1039 -17.199 -0.585 -27.300 0.00 0.00 SOLV ATOM 9110 H1 TIP3 1039 -18.042 -0.083 -27.259 0.00 0.00 SOLV ATOM 9111 H2 TIP3 1039 -17.413 -1.511 -27.513 0.00 0.00 SOLV ATOM 9112 OH2 TIP3 1040 0.710 -2.305 -45.272 0.00 0.00 SOLV ATOM 9113 H1 TIP3 1040 1.561 -2.513 -45.703 0.00 0.00 SOLV ATOM 9114 H2 TIP3 1040 0.466 -1.466 -45.691 0.00 0.00 SOLV ATOM 9115 OH2 TIP3 1041 13.777 -11.094 -30.673 0.00 0.00 SOLV ATOM 9116 H1 TIP3 1041 14.457 -10.416 -30.582 0.00 0.00 SOLV ATOM 9117 H2 TIP3 1041 14.053 -11.613 -31.425 0.00 0.00 SOLV ATOM 9118 OH2 TIP3 1042 -36.295 5.721 -1.825 0.00 0.00 SOLV ATOM 9119 H1 TIP3 1042 -36.253 6.610 -1.396 0.00 0.00 SOLV ATOM 9120 H2 TIP3 1042 -35.825 5.163 -1.243 0.00 0.00 SOLV ATOM 9121 OH2 TIP3 1043 -9.645 -6.087 -22.546 0.00 0.00 SOLV ATOM 9122 H1 TIP3 1043 -9.799 -5.675 -23.403 0.00 0.00 SOLV ATOM 9123 H2 TIP3 1043 -10.117 -6.910 -22.592 0.00 0.00 SOLV ATOM 9124 OH2 TIP3 1044 -17.264 -16.498 13.030 0.00 0.00 SOLV ATOM 9125 H1 TIP3 1044 -18.104 -16.335 12.527 0.00 0.00 SOLV ATOM 9126 H2 TIP3 1044 -17.461 -17.360 13.353 0.00 0.00 SOLV ATOM 9127 OH2 TIP3 1045 -17.380 -5.358 -10.958 0.00 0.00 SOLV ATOM 9128 H1 TIP3 1045 -16.912 -4.510 -10.974 0.00 0.00 SOLV ATOM 9129 H2 TIP3 1045 -16.685 -6.033 -10.740 0.00 0.00 SOLV ATOM 9130 OH2 TIP3 1046 6.935 -13.092 5.973 0.00 0.00 SOLV ATOM 9131 H1 TIP3 1046 6.346 -12.351 5.829 0.00 0.00 SOLV ATOM 9132 H2 TIP3 1046 6.572 -13.494 6.728 0.00 0.00 SOLV ATOM 9133 OH2 TIP3 1047 -14.800 9.747 -35.029 0.00 0.00 SOLV ATOM 9134 H1 TIP3 1047 -15.066 10.690 -34.933 0.00 0.00 SOLV ATOM 9135 H2 TIP3 1047 -15.276 9.438 -35.798 0.00 0.00 SOLV ATOM 9136 OH2 TIP3 1048 -15.086 -17.048 -19.241 0.00 0.00 SOLV ATOM 9137 H1 TIP3 1048 -15.043 -17.516 -18.389 0.00 0.00 SOLV ATOM 9138 H2 TIP3 1048 -14.219 -17.176 -19.738 0.00 0.00 SOLV ATOM 9139 OH2 TIP3 1049 -9.754 -15.473 -40.479 0.00 0.00 SOLV ATOM 9140 H1 TIP3 1049 -9.102 -16.099 -40.121 0.00 0.00 SOLV ATOM 9141 H2 TIP3 1049 -10.608 -15.997 -40.459 0.00 0.00 SOLV ATOM 9142 OH2 TIP3 1050 -19.899 6.690 -20.356 0.00 0.00 SOLV ATOM 9143 H1 TIP3 1050 -20.271 7.434 -20.791 0.00 0.00 SOLV ATOM 9144 H2 TIP3 1050 -20.720 6.175 -20.105 0.00 0.00 SOLV ATOM 9145 OH2 TIP3 1051 -2.056 17.383 -25.365 0.00 0.00 SOLV ATOM 9146 H1 TIP3 1051 -1.257 17.591 -25.894 0.00 0.00 SOLV ATOM 9147 H2 TIP3 1051 -1.927 16.500 -24.910 0.00 0.00 SOLV ATOM 9148 OH2 TIP3 1052 -24.469 15.721 -18.978 0.00 0.00 SOLV ATOM 9149 H1 TIP3 1052 -24.808 14.877 -18.778 0.00 0.00 SOLV ATOM 9150 H2 TIP3 1052 -24.052 15.935 -18.140 0.00 0.00 SOLV ATOM 9151 OH2 TIP3 1053 -13.651 -1.104 -22.766 0.00 0.00 SOLV ATOM 9152 H1 TIP3 1053 -14.062 -1.505 -23.575 0.00 0.00 SOLV ATOM 9153 H2 TIP3 1053 -12.895 -1.647 -22.620 0.00 0.00 SOLV ATOM 9154 OH2 TIP3 1054 -22.580 -10.495 -7.709 0.00 0.00 SOLV ATOM 9155 H1 TIP3 1054 -23.153 -10.201 -8.458 0.00 0.00 SOLV ATOM 9156 H2 TIP3 1054 -22.624 -9.853 -7.060 0.00 0.00 SOLV ATOM 9157 OH2 TIP3 1055 -10.573 19.755 11.082 0.00 0.00 SOLV ATOM 9158 H1 TIP3 1055 -11.193 20.274 10.563 0.00 0.00 SOLV ATOM 9159 H2 TIP3 1055 -10.170 20.372 11.711 0.00 0.00 SOLV ATOM 9160 OH2 TIP3 1056 -9.504 12.314 -36.930 0.00 0.00 SOLV ATOM 9161 H1 TIP3 1056 -8.936 12.110 -37.781 0.00 0.00 SOLV ATOM 9162 H2 TIP3 1056 -8.879 12.876 -36.422 0.00 0.00 SOLV ATOM 9163 OH2 TIP3 1057 -17.659 7.460 -34.599 0.00 0.00 SOLV ATOM 9164 H1 TIP3 1057 -18.542 7.174 -34.869 0.00 0.00 SOLV ATOM 9165 H2 TIP3 1057 -17.097 6.927 -35.162 0.00 0.00 SOLV ATOM 9166 OH2 TIP3 1058 -8.692 5.944 -32.856 0.00 0.00 SOLV ATOM 9167 H1 TIP3 1058 -8.954 5.537 -31.993 0.00 0.00 SOLV ATOM 9168 H2 TIP3 1058 -8.329 5.179 -33.391 0.00 0.00 SOLV ATOM 9169 OH2 TIP3 1059 -23.299 14.572 -26.463 0.00 0.00 SOLV ATOM 9170 H1 TIP3 1059 -23.720 13.843 -26.917 0.00 0.00 SOLV ATOM 9171 H2 TIP3 1059 -23.851 15.342 -26.657 0.00 0.00 SOLV ATOM 9172 OH2 TIP3 1060 -11.976 -1.976 -31.475 0.00 0.00 SOLV ATOM 9173 H1 TIP3 1060 -12.791 -2.203 -31.978 0.00 0.00 SOLV ATOM 9174 H2 TIP3 1060 -11.782 -2.889 -31.287 0.00 0.00 SOLV ATOM 9175 OH2 TIP3 1061 -18.735 3.708 -14.255 0.00 0.00 SOLV ATOM 9176 H1 TIP3 1061 -18.105 4.351 -14.471 0.00 0.00 SOLV ATOM 9177 H2 TIP3 1061 -18.939 3.906 -13.352 0.00 0.00 SOLV ATOM 9178 OH2 TIP3 1062 -11.903 20.759 -6.393 0.00 0.00 SOLV ATOM 9179 H1 TIP3 1062 -12.683 20.635 -6.901 0.00 0.00 SOLV ATOM 9180 H2 TIP3 1062 -11.524 21.621 -6.619 0.00 0.00 SOLV ATOM 9181 OH2 TIP3 1063 -27.757 7.278 10.521 0.00 0.00 SOLV ATOM 9182 H1 TIP3 1063 -28.016 7.866 11.228 0.00 0.00 SOLV ATOM 9183 H2 TIP3 1063 -28.564 6.847 10.302 0.00 0.00 SOLV ATOM 9184 OH2 TIP3 1064 -25.495 -0.266 -7.610 0.00 0.00 SOLV ATOM 9185 H1 TIP3 1064 -25.391 0.648 -7.725 0.00 0.00 SOLV ATOM 9186 H2 TIP3 1064 -26.243 -0.328 -6.985 0.00 0.00 SOLV ATOM 9187 OH2 TIP3 1065 -15.394 2.147 -20.196 0.00 0.00 SOLV ATOM 9188 H1 TIP3 1065 -15.331 2.989 -20.766 0.00 0.00 SOLV ATOM 9189 H2 TIP3 1065 -16.124 2.329 -19.541 0.00 0.00 SOLV ATOM 9190 OH2 TIP3 1066 -8.221 11.920 -30.858 0.00 0.00 SOLV ATOM 9191 H1 TIP3 1066 -7.766 11.483 -31.676 0.00 0.00 SOLV ATOM 9192 H2 TIP3 1066 -7.843 11.489 -30.049 0.00 0.00 SOLV ATOM 9193 OH2 TIP3 1067 -18.149 6.055 -24.273 0.00 0.00 SOLV ATOM 9194 H1 TIP3 1067 -18.452 5.521 -23.539 0.00 0.00 SOLV ATOM 9195 H2 TIP3 1067 -17.240 5.696 -24.340 0.00 0.00 SOLV ATOM 9196 OH2 TIP3 1068 -22.680 15.896 -10.998 0.00 0.00 SOLV ATOM 9197 H1 TIP3 1068 -22.692 16.700 -11.597 0.00 0.00 SOLV ATOM 9198 H2 TIP3 1068 -22.120 16.262 -10.251 0.00 0.00 SOLV ATOM 9199 OH2 TIP3 1069 -17.756 17.176 8.463 0.00 0.00 SOLV ATOM 9200 H1 TIP3 1069 -16.949 17.304 7.939 0.00 0.00 SOLV ATOM 9201 H2 TIP3 1069 -18.436 17.780 8.091 0.00 0.00 SOLV ATOM 9202 OH2 TIP3 1070 -3.833 19.280 -25.286 0.00 0.00 SOLV ATOM 9203 H1 TIP3 1070 -4.064 19.210 -26.257 0.00 0.00 SOLV ATOM 9204 H2 TIP3 1070 -3.035 18.721 -25.202 0.00 0.00 SOLV ATOM 9205 OH2 TIP3 1071 -16.148 22.672 -4.213 0.00 0.00 SOLV ATOM 9206 H1 TIP3 1071 -16.646 22.417 -3.409 0.00 0.00 SOLV ATOM 9207 H2 TIP3 1071 -16.728 23.360 -4.589 0.00 0.00 SOLV ATOM 9208 OH2 TIP3 1072 -16.517 5.193 -28.081 0.00 0.00 SOLV ATOM 9209 H1 TIP3 1072 -16.204 5.777 -28.840 0.00 0.00 SOLV ATOM 9210 H2 TIP3 1072 -16.679 4.322 -28.510 0.00 0.00 SOLV ATOM 9211 OH2 TIP3 1073 -19.954 0.273 -37.801 0.00 0.00 SOLV ATOM 9212 H1 TIP3 1073 -19.977 0.484 -38.720 0.00 0.00 SOLV ATOM 9213 H2 TIP3 1073 -18.982 0.413 -37.524 0.00 0.00 SOLV ATOM 9214 OH2 TIP3 1074 -17.845 14.231 -24.090 0.00 0.00 SOLV ATOM 9215 H1 TIP3 1074 -17.650 13.466 -24.652 0.00 0.00 SOLV ATOM 9216 H2 TIP3 1074 -18.773 14.055 -23.781 0.00 0.00 SOLV ATOM 9217 OH2 TIP3 1075 0.853 12.778 13.109 0.00 0.00 SOLV ATOM 9218 H1 TIP3 1075 1.363 13.215 13.787 0.00 0.00 SOLV ATOM 9219 H2 TIP3 1075 0.806 13.397 12.411 0.00 0.00 SOLV ATOM 9220 OH2 TIP3 1076 -10.430 -13.996 -5.733 0.00 0.00 SOLV ATOM 9221 H1 TIP3 1076 -9.538 -14.263 -5.887 0.00 0.00 SOLV ATOM 9222 H2 TIP3 1076 -10.715 -13.761 -6.590 0.00 0.00 SOLV ATOM 9223 OH2 TIP3 1077 -4.494 2.980 -16.858 0.00 0.00 SOLV ATOM 9224 H1 TIP3 1077 -4.834 3.819 -16.431 0.00 0.00 SOLV ATOM 9225 H2 TIP3 1077 -5.310 2.484 -16.896 0.00 0.00 SOLV ATOM 9226 OH2 TIP3 1078 -25.497 -2.982 -11.737 0.00 0.00 SOLV ATOM 9227 H1 TIP3 1078 -25.110 -2.512 -10.993 0.00 0.00 SOLV ATOM 9228 H2 TIP3 1078 -26.320 -2.457 -11.906 0.00 0.00 SOLV ATOM 9229 OH2 TIP3 1079 -15.541 -7.378 -24.791 0.00 0.00 SOLV ATOM 9230 H1 TIP3 1079 -16.351 -7.894 -24.787 0.00 0.00 SOLV ATOM 9231 H2 TIP3 1079 -15.043 -7.740 -24.056 0.00 0.00 SOLV ATOM 9232 OH2 TIP3 1080 -11.082 15.031 18.709 0.00 0.00 SOLV ATOM 9233 H1 TIP3 1080 -11.647 14.428 19.226 0.00 0.00 SOLV ATOM 9234 H2 TIP3 1080 -10.389 14.471 18.364 0.00 0.00 SOLV ATOM 9235 OH2 TIP3 1081 -22.606 -26.903 -22.079 0.00 0.00 SOLV ATOM 9236 H1 TIP3 1081 -22.872 -27.271 -21.274 0.00 0.00 SOLV ATOM 9237 H2 TIP3 1081 -21.753 -26.370 -21.873 0.00 0.00 SOLV ATOM 9238 OH2 TIP3 1082 3.438 25.016 -9.354 0.00 0.00 SOLV ATOM 9239 H1 TIP3 1082 2.737 25.255 -9.943 0.00 0.00 SOLV ATOM 9240 H2 TIP3 1082 4.245 25.367 -9.826 0.00 0.00 SOLV ATOM 9241 OH2 TIP3 1083 -29.621 14.923 -5.107 0.00 0.00 SOLV ATOM 9242 H1 TIP3 1083 -29.776 15.506 -4.353 0.00 0.00 SOLV ATOM 9243 H2 TIP3 1083 -29.412 14.075 -4.644 0.00 0.00 SOLV ATOM 9244 OH2 TIP3 1084 -17.479 -17.235 -29.440 0.00 0.00 SOLV ATOM 9245 H1 TIP3 1084 -17.523 -17.148 -28.445 0.00 0.00 SOLV ATOM 9246 H2 TIP3 1084 -18.333 -16.847 -29.718 0.00 0.00 SOLV ATOM 9247 OH2 TIP3 1085 -11.602 -27.259 -15.796 0.00 0.00 SOLV ATOM 9248 H1 TIP3 1085 -12.535 -26.960 -15.884 0.00 0.00 SOLV ATOM 9249 H2 TIP3 1085 -11.658 -27.414 -14.875 0.00 0.00 SOLV ATOM 9250 OH2 TIP3 1086 -6.654 29.501 -8.800 0.00 0.00 SOLV ATOM 9251 H1 TIP3 1086 -5.833 29.098 -8.429 0.00 0.00 SOLV ATOM 9252 H2 TIP3 1086 -7.393 29.058 -8.331 0.00 0.00 SOLV ATOM 9253 OH2 TIP3 1087 -2.882 -32.145 4.499 0.00 0.00 SOLV ATOM 9254 H1 TIP3 1087 -3.381 -31.317 4.474 0.00 0.00 SOLV ATOM 9255 H2 TIP3 1087 -3.497 -32.823 4.884 0.00 0.00 SOLV ATOM 9256 OH2 TIP3 1088 -1.710 -35.442 5.703 0.00 0.00 SOLV ATOM 9257 H1 TIP3 1088 -1.270 -34.758 6.272 0.00 0.00 SOLV ATOM 9258 H2 TIP3 1088 -0.934 -35.695 5.121 0.00 0.00 SOLV ATOM 9259 OH2 TIP3 1089 -12.338 -21.898 -24.161 0.00 0.00 SOLV ATOM 9260 H1 TIP3 1089 -12.496 -20.999 -24.390 0.00 0.00 SOLV ATOM 9261 H2 TIP3 1089 -11.981 -22.190 -24.976 0.00 0.00 SOLV ATOM 9262 OH2 TIP3 1090 -18.224 -25.874 -19.510 0.00 0.00 SOLV ATOM 9263 H1 TIP3 1090 -18.470 -25.703 -18.586 0.00 0.00 SOLV ATOM 9264 H2 TIP3 1090 -17.276 -26.169 -19.424 0.00 0.00 SOLV ATOM 9265 OH2 TIP3 1091 -11.269 -30.784 -13.277 0.00 0.00 SOLV ATOM 9266 H1 TIP3 1091 -11.089 -30.417 -14.152 0.00 0.00 SOLV ATOM 9267 H2 TIP3 1091 -11.505 -31.705 -13.397 0.00 0.00 SOLV ATOM 9268 OH2 TIP3 1092 -13.956 -21.588 -11.625 0.00 0.00 SOLV ATOM 9269 H1 TIP3 1092 -14.548 -21.341 -10.825 0.00 0.00 SOLV ATOM 9270 H2 TIP3 1092 -14.085 -20.855 -12.292 0.00 0.00 SOLV ATOM 9271 OH2 TIP3 1093 -5.586 -31.379 -9.876 0.00 0.00 SOLV ATOM 9272 H1 TIP3 1093 -6.180 -31.777 -9.176 0.00 0.00 SOLV ATOM 9273 H2 TIP3 1093 -6.082 -31.443 -10.688 0.00 0.00 SOLV ATOM 9274 OH2 TIP3 1094 -15.390 -21.363 -17.946 0.00 0.00 SOLV ATOM 9275 H1 TIP3 1094 -15.058 -20.672 -17.396 0.00 0.00 SOLV ATOM 9276 H2 TIP3 1094 -16.270 -21.402 -17.705 0.00 0.00 SOLV ATOM 9277 OH2 TIP3 1095 -14.429 -26.095 -10.206 0.00 0.00 SOLV ATOM 9278 H1 TIP3 1095 -13.758 -25.508 -10.629 0.00 0.00 SOLV ATOM 9279 H2 TIP3 1095 -14.347 -26.999 -10.575 0.00 0.00 SOLV ATOM 9280 OH2 TIP3 1096 -0.589 -19.992 -20.584 0.00 0.00 SOLV ATOM 9281 H1 TIP3 1096 -0.325 -20.747 -21.175 0.00 0.00 SOLV ATOM 9282 H2 TIP3 1096 -0.607 -20.516 -19.765 0.00 0.00 SOLV ATOM 9283 OH2 TIP3 1097 -15.390 -29.911 -22.406 0.00 0.00 SOLV ATOM 9284 H1 TIP3 1097 -16.108 -29.302 -22.627 0.00 0.00 SOLV ATOM 9285 H2 TIP3 1097 -15.893 -30.675 -22.041 0.00 0.00 SOLV ATOM 9286 OH2 TIP3 1098 0.537 -22.001 -2.593 0.00 0.00 SOLV ATOM 9287 H1 TIP3 1098 0.390 -21.387 -3.313 0.00 0.00 SOLV ATOM 9288 H2 TIP3 1098 -0.233 -22.590 -2.600 0.00 0.00 SOLV ATOM 9289 OH2 TIP3 1099 -18.529 -18.289 3.456 0.00 0.00 SOLV ATOM 9290 H1 TIP3 1099 -18.624 -17.282 3.358 0.00 0.00 SOLV ATOM 9291 H2 TIP3 1099 -19.048 -18.437 4.308 0.00 0.00 SOLV ATOM 9292 OH2 TIP3 1100 -19.236 -24.976 6.168 0.00 0.00 SOLV ATOM 9293 H1 TIP3 1100 -19.545 -24.987 5.225 0.00 0.00 SOLV ATOM 9294 H2 TIP3 1100 -18.909 -25.897 6.276 0.00 0.00 SOLV ATOM 9295 OH2 TIP3 1101 -8.968 -26.466 -28.168 0.00 0.00 SOLV ATOM 9296 H1 TIP3 1101 -8.074 -26.738 -28.015 0.00 0.00 SOLV ATOM 9297 H2 TIP3 1101 -9.048 -26.523 -29.159 0.00 0.00 SOLV ATOM 9298 OH2 TIP3 1102 -12.324 -21.614 -21.469 0.00 0.00 SOLV ATOM 9299 H1 TIP3 1102 -13.303 -21.490 -21.419 0.00 0.00 SOLV ATOM 9300 H2 TIP3 1102 -12.222 -21.842 -22.407 0.00 0.00 SOLV ATOM 9301 OH2 TIP3 1103 -12.499 -26.841 -26.596 0.00 0.00 SOLV ATOM 9302 H1 TIP3 1103 -12.044 -26.548 -25.796 0.00 0.00 SOLV ATOM 9303 H2 TIP3 1103 -13.226 -26.159 -26.767 0.00 0.00 SOLV ATOM 9304 OH2 TIP3 1104 -9.231 -27.158 -11.327 0.00 0.00 SOLV ATOM 9305 H1 TIP3 1104 -9.076 -27.139 -10.402 0.00 0.00 SOLV ATOM 9306 H2 TIP3 1104 -8.492 -26.636 -11.624 0.00 0.00 SOLV ATOM 9307 OH2 TIP3 1105 -8.630 -23.654 -13.393 0.00 0.00 SOLV ATOM 9308 H1 TIP3 1105 -8.235 -24.292 -12.803 0.00 0.00 SOLV ATOM 9309 H2 TIP3 1105 -9.322 -24.166 -13.880 0.00 0.00 SOLV ATOM 9310 OH2 TIP3 1106 -9.147 -29.560 -4.632 0.00 0.00 SOLV ATOM 9311 H1 TIP3 1106 -9.273 -28.737 -5.149 0.00 0.00 SOLV ATOM 9312 H2 TIP3 1106 -8.807 -30.176 -5.285 0.00 0.00 SOLV ATOM 9313 OH2 TIP3 1107 -4.479 -27.729 -16.495 0.00 0.00 SOLV ATOM 9314 H1 TIP3 1107 -4.501 -27.001 -17.100 0.00 0.00 SOLV ATOM 9315 H2 TIP3 1107 -5.368 -27.970 -16.413 0.00 0.00 SOLV ATOM 9316 OH2 TIP3 1108 -10.156 -27.027 -2.778 0.00 0.00 SOLV ATOM 9317 H1 TIP3 1108 -9.632 -26.395 -3.212 0.00 0.00 SOLV ATOM 9318 H2 TIP3 1108 -11.043 -26.935 -3.125 0.00 0.00 SOLV ATOM 9319 OH2 TIP3 1109 -20.169 -19.640 0.313 0.00 0.00 SOLV ATOM 9320 H1 TIP3 1109 -19.371 -19.310 -0.115 0.00 0.00 SOLV ATOM 9321 H2 TIP3 1109 -19.943 -20.548 0.444 0.00 0.00 SOLV ATOM 9322 OH2 TIP3 1110 18.172 -11.954 1.026 0.00 0.00 SOLV ATOM 9323 H1 TIP3 1110 18.173 -11.970 -0.019 0.00 0.00 SOLV ATOM 9324 H2 TIP3 1110 17.967 -11.018 1.235 0.00 0.00 SOLV ATOM 9325 OH2 TIP3 1111 -8.046 -26.608 6.958 0.00 0.00 SOLV ATOM 9326 H1 TIP3 1111 -8.852 -27.043 7.237 0.00 0.00 SOLV ATOM 9327 H2 TIP3 1111 -7.528 -26.584 7.841 0.00 0.00 SOLV ATOM 9328 OH2 TIP3 1112 -12.097 -16.788 -39.010 0.00 0.00 SOLV ATOM 9329 H1 TIP3 1112 -12.185 -17.034 -39.916 0.00 0.00 SOLV ATOM 9330 H2 TIP3 1112 -12.994 -16.876 -38.704 0.00 0.00 SOLV ATOM 9331 OH2 TIP3 1113 -8.956 -20.709 -31.270 0.00 0.00 SOLV ATOM 9332 H1 TIP3 1113 -8.103 -20.887 -31.873 0.00 0.00 SOLV ATOM 9333 H2 TIP3 1113 -9.178 -19.752 -31.375 0.00 0.00 SOLV ATOM 9334 OH2 TIP3 1114 -16.311 -11.052 -30.996 0.00 0.00 SOLV ATOM 9335 H1 TIP3 1114 -15.667 -11.126 -30.261 0.00 0.00 SOLV ATOM 9336 H2 TIP3 1114 -17.108 -11.346 -30.617 0.00 0.00 SOLV ATOM 9337 OH2 TIP3 1115 0.288 -12.186 -18.061 0.00 0.00 SOLV ATOM 9338 H1 TIP3 1115 -0.374 -11.453 -18.192 0.00 0.00 SOLV ATOM 9339 H2 TIP3 1115 -0.284 -12.967 -18.253 0.00 0.00 SOLV ATOM 9340 OH2 TIP3 1116 10.370 -10.838 -14.076 0.00 0.00 SOLV ATOM 9341 H1 TIP3 1116 11.281 -11.109 -14.423 0.00 0.00 SOLV ATOM 9342 H2 TIP3 1116 9.750 -11.486 -14.548 0.00 0.00 SOLV ATOM 9343 OH2 TIP3 1117 -17.771 -17.706 -23.004 0.00 0.00 SOLV ATOM 9344 H1 TIP3 1117 -16.863 -17.494 -22.813 0.00 0.00 SOLV ATOM 9345 H2 TIP3 1117 -17.683 -18.548 -23.552 0.00 0.00 SOLV ATOM 9346 OH2 TIP3 1118 -6.749 -26.124 -23.719 0.00 0.00 SOLV ATOM 9347 H1 TIP3 1118 -6.853 -27.074 -23.741 0.00 0.00 SOLV ATOM 9348 H2 TIP3 1118 -7.623 -25.750 -23.877 0.00 0.00 SOLV ATOM 9349 OH2 TIP3 1119 -19.381 -16.683 -1.867 0.00 0.00 SOLV ATOM 9350 H1 TIP3 1119 -19.297 -15.701 -1.953 0.00 0.00 SOLV ATOM 9351 H2 TIP3 1119 -19.728 -16.948 -2.762 0.00 0.00 SOLV ATOM 9352 OH2 TIP3 1120 -4.884 -20.250 -7.129 0.00 0.00 SOLV ATOM 9353 H1 TIP3 1120 -4.652 -20.961 -6.481 0.00 0.00 SOLV ATOM 9354 H2 TIP3 1120 -5.810 -19.969 -6.824 0.00 0.00 SOLV ATOM 9355 OH2 TIP3 1121 -8.483 -24.687 2.595 0.00 0.00 SOLV ATOM 9356 H1 TIP3 1121 -9.237 -24.213 2.082 0.00 0.00 SOLV ATOM 9357 H2 TIP3 1121 -8.697 -24.563 3.450 0.00 0.00 SOLV ATOM 9358 OH2 TIP3 1122 -13.196 -32.028 -7.181 0.00 0.00 SOLV ATOM 9359 H1 TIP3 1122 -13.555 -32.977 -7.099 0.00 0.00 SOLV ATOM 9360 H2 TIP3 1122 -12.842 -31.827 -6.309 0.00 0.00 SOLV ATOM 9361 OH2 TIP3 1123 -11.126 -20.877 -39.393 0.00 0.00 SOLV ATOM 9362 H1 TIP3 1123 -11.985 -20.787 -38.949 0.00 0.00 SOLV ATOM 9363 H2 TIP3 1123 -10.502 -20.535 -38.767 0.00 0.00 SOLV ATOM 9364 OH2 TIP3 1124 -5.467 -24.782 -21.573 0.00 0.00 SOLV ATOM 9365 H1 TIP3 1124 -6.089 -24.176 -22.038 0.00 0.00 SOLV ATOM 9366 H2 TIP3 1124 -5.712 -25.628 -21.999 0.00 0.00 SOLV ATOM 9367 OH2 TIP3 1125 -15.366 -15.886 -32.857 0.00 0.00 SOLV ATOM 9368 H1 TIP3 1125 -14.451 -15.604 -32.752 0.00 0.00 SOLV ATOM 9369 H2 TIP3 1125 -15.415 -16.541 -32.068 0.00 0.00 SOLV ATOM 9370 OH2 TIP3 1126 7.975 -0.311 -3.722 0.00 0.00 SOLV ATOM 9371 H1 TIP3 1126 7.343 -1.065 -3.490 0.00 0.00 SOLV ATOM 9372 H2 TIP3 1126 8.880 -0.677 -3.635 0.00 0.00 SOLV ATOM 9373 OH2 TIP3 1127 -24.993 -15.418 -12.182 0.00 0.00 SOLV ATOM 9374 H1 TIP3 1127 -24.490 -14.596 -12.556 0.00 0.00 SOLV ATOM 9375 H2 TIP3 1127 -24.409 -15.789 -11.509 0.00 0.00 SOLV ATOM 9376 OH2 TIP3 1128 -20.816 -19.567 -3.748 0.00 0.00 SOLV ATOM 9377 H1 TIP3 1128 -20.736 -20.413 -3.385 0.00 0.00 SOLV ATOM 9378 H2 TIP3 1128 -19.925 -19.199 -3.695 0.00 0.00 SOLV ATOM 9379 OH2 TIP3 1129 -24.225 -18.896 3.955 0.00 0.00 SOLV ATOM 9380 H1 TIP3 1129 -23.985 -18.322 4.734 0.00 0.00 SOLV ATOM 9381 H2 TIP3 1129 -23.649 -18.562 3.300 0.00 0.00 SOLV ATOM 9382 OH2 TIP3 1130 -23.740 -19.410 -8.160 0.00 0.00 SOLV ATOM 9383 H1 TIP3 1130 -23.171 -19.188 -7.308 0.00 0.00 SOLV ATOM 9384 H2 TIP3 1130 -23.048 -19.579 -8.759 0.00 0.00 SOLV ATOM 9385 OH2 TIP3 1131 -17.493 -19.467 -8.618 0.00 0.00 SOLV ATOM 9386 H1 TIP3 1131 -17.640 -18.531 -8.303 0.00 0.00 SOLV ATOM 9387 H2 TIP3 1131 -18.079 -20.048 -8.085 0.00 0.00 SOLV ATOM 9388 OH2 TIP3 1132 -10.863 -26.149 4.355 0.00 0.00 SOLV ATOM 9389 H1 TIP3 1132 -10.211 -26.625 3.813 0.00 0.00 SOLV ATOM 9390 H2 TIP3 1132 -10.330 -25.523 4.823 0.00 0.00 SOLV ATOM 9391 OH2 TIP3 1133 -1.281 -15.394 -0.705 0.00 0.00 SOLV ATOM 9392 H1 TIP3 1133 -1.925 -15.808 -1.218 0.00 0.00 SOLV ATOM 9393 H2 TIP3 1133 -1.023 -16.073 -0.065 0.00 0.00 SOLV ATOM 9394 OH2 TIP3 1134 -8.414 -7.210 -42.513 0.00 0.00 SOLV ATOM 9395 H1 TIP3 1134 -7.624 -7.039 -43.053 0.00 0.00 SOLV ATOM 9396 H2 TIP3 1134 -8.199 -8.118 -42.197 0.00 0.00 SOLV ATOM 9397 OH2 TIP3 1135 -6.222 -6.225 -44.026 0.00 0.00 SOLV ATOM 9398 H1 TIP3 1135 -5.472 -6.271 -43.361 0.00 0.00 SOLV ATOM 9399 H2 TIP3 1135 -5.809 -6.200 -44.918 0.00 0.00 SOLV ATOM 9400 OH2 TIP3 1136 -19.639 -22.375 -26.422 0.00 0.00 SOLV ATOM 9401 H1 TIP3 1136 -19.929 -23.116 -25.851 0.00 0.00 SOLV ATOM 9402 H2 TIP3 1136 -20.206 -21.618 -26.149 0.00 0.00 SOLV ATOM 9403 OH2 TIP3 1137 -20.343 -7.599 -40.137 0.00 0.00 SOLV ATOM 9404 H1 TIP3 1137 -21.302 -7.686 -40.175 0.00 0.00 SOLV ATOM 9405 H2 TIP3 1137 -20.152 -6.886 -40.741 0.00 0.00 SOLV ATOM 9406 OH2 TIP3 1138 -20.964 -15.018 -18.363 0.00 0.00 SOLV ATOM 9407 H1 TIP3 1138 -20.797 -14.087 -18.244 0.00 0.00 SOLV ATOM 9408 H2 TIP3 1138 -20.286 -15.263 -19.018 0.00 0.00 SOLV ATOM 9409 OH2 TIP3 1139 7.358 -16.522 -24.918 0.00 0.00 SOLV ATOM 9410 H1 TIP3 1139 7.415 -16.947 -25.784 0.00 0.00 SOLV ATOM 9411 H2 TIP3 1139 6.968 -17.160 -24.313 0.00 0.00 SOLV ATOM 9412 OH2 TIP3 1140 -16.369 -14.664 -19.830 0.00 0.00 SOLV ATOM 9413 H1 TIP3 1140 -15.915 -15.464 -19.564 0.00 0.00 SOLV ATOM 9414 H2 TIP3 1140 -15.667 -13.999 -19.555 0.00 0.00 SOLV ATOM 9415 OH2 TIP3 1141 -3.172 -20.139 -36.040 0.00 0.00 SOLV ATOM 9416 H1 TIP3 1141 -3.185 -19.733 -36.897 0.00 0.00 SOLV ATOM 9417 H2 TIP3 1141 -3.616 -19.463 -35.556 0.00 0.00 SOLV ATOM 9418 OH2 TIP3 1142 8.247 20.513 1.193 0.00 0.00 SOLV ATOM 9419 H1 TIP3 1142 7.548 20.995 1.746 0.00 0.00 SOLV ATOM 9420 H2 TIP3 1142 7.751 20.125 0.413 0.00 0.00 SOLV ATOM 9421 OH2 TIP3 1143 4.494 -6.879 -23.649 0.00 0.00 SOLV ATOM 9422 H1 TIP3 1143 4.897 -7.052 -22.763 0.00 0.00 SOLV ATOM 9423 H2 TIP3 1143 3.563 -6.891 -23.497 0.00 0.00 SOLV ATOM 9424 OH2 TIP3 1144 -16.257 -16.372 -7.521 0.00 0.00 SOLV ATOM 9425 H1 TIP3 1144 -16.902 -15.593 -7.576 0.00 0.00 SOLV ATOM 9426 H2 TIP3 1144 -15.958 -16.376 -6.567 0.00 0.00 SOLV ATOM 9427 OH2 TIP3 1145 -17.297 -13.878 -7.648 0.00 0.00 SOLV ATOM 9428 H1 TIP3 1145 -17.466 -13.084 -8.104 0.00 0.00 SOLV ATOM 9429 H2 TIP3 1145 -16.860 -13.529 -6.860 0.00 0.00 SOLV ATOM 9430 OH2 TIP3 1146 -8.588 -24.546 5.303 0.00 0.00 SOLV ATOM 9431 H1 TIP3 1146 -8.974 -24.071 5.997 0.00 0.00 SOLV ATOM 9432 H2 TIP3 1146 -8.023 -25.236 5.822 0.00 0.00 SOLV ATOM 9433 OH2 TIP3 1147 7.004 -21.654 -1.129 0.00 0.00 SOLV ATOM 9434 H1 TIP3 1147 6.331 -21.019 -0.861 0.00 0.00 SOLV ATOM 9435 H2 TIP3 1147 7.734 -21.086 -1.268 0.00 0.00 SOLV ATOM 9436 OH2 TIP3 1148 -1.467 -13.221 1.391 0.00 0.00 SOLV ATOM 9437 H1 TIP3 1148 -2.105 -12.947 0.696 0.00 0.00 SOLV ATOM 9438 H2 TIP3 1148 -0.790 -12.524 1.239 0.00 0.00 SOLV ATOM 9439 OH2 TIP3 1149 -10.907 -20.070 -5.665 0.00 0.00 SOLV ATOM 9440 H1 TIP3 1149 -11.831 -19.801 -5.784 0.00 0.00 SOLV ATOM 9441 H2 TIP3 1149 -10.575 -20.405 -6.534 0.00 0.00 SOLV ATOM 9442 OH2 TIP3 1150 -16.240 -8.304 -37.699 0.00 0.00 SOLV ATOM 9443 H1 TIP3 1150 -16.201 -7.433 -38.133 0.00 0.00 SOLV ATOM 9444 H2 TIP3 1150 -16.024 -7.969 -36.773 0.00 0.00 SOLV ATOM 9445 OH2 TIP3 1151 -14.959 -5.811 -28.737 0.00 0.00 SOLV ATOM 9446 H1 TIP3 1151 -15.438 -6.709 -28.709 0.00 0.00 SOLV ATOM 9447 H2 TIP3 1151 -14.287 -5.900 -29.518 0.00 0.00 SOLV ATOM 9448 OH2 TIP3 1152 -4.310 -7.621 -42.130 0.00 0.00 SOLV ATOM 9449 H1 TIP3 1152 -3.364 -7.459 -42.347 0.00 0.00 SOLV ATOM 9450 H2 TIP3 1152 -4.537 -8.460 -42.607 0.00 0.00 SOLV ATOM 9451 OH2 TIP3 1153 -10.304 -6.320 2.725 0.00 0.00 SOLV ATOM 9452 H1 TIP3 1153 -10.185 -5.585 3.310 0.00 0.00 SOLV ATOM 9453 H2 TIP3 1153 -9.405 -6.480 2.414 0.00 0.00 SOLV ATOM 9454 OH2 TIP3 1154 -1.892 -9.410 -5.905 0.00 0.00 SOLV ATOM 9455 H1 TIP3 1154 -1.867 -8.435 -6.191 0.00 0.00 SOLV ATOM 9456 H2 TIP3 1154 -0.938 -9.670 -5.985 0.00 0.00 SOLV ATOM 9457 OH2 TIP3 1155 -18.156 9.052 -12.226 0.00 0.00 SOLV ATOM 9458 H1 TIP3 1155 -18.628 8.266 -12.682 0.00 0.00 SOLV ATOM 9459 H2 TIP3 1155 -17.388 9.126 -12.813 0.00 0.00 SOLV ATOM 9460 OH2 TIP3 1156 -4.477 -22.333 -12.557 0.00 0.00 SOLV ATOM 9461 H1 TIP3 1156 -4.497 -23.133 -13.049 0.00 0.00 SOLV ATOM 9462 H2 TIP3 1156 -4.834 -22.625 -11.703 0.00 0.00 SOLV ATOM 9463 OH2 TIP3 1157 10.443 -7.560 -11.328 0.00 0.00 SOLV ATOM 9464 H1 TIP3 1157 10.237 -6.810 -11.835 0.00 0.00 SOLV ATOM 9465 H2 TIP3 1157 11.077 -7.300 -10.611 0.00 0.00 SOLV ATOM 9466 OH2 TIP3 1158 -18.019 17.903 4.705 0.00 0.00 SOLV ATOM 9467 H1 TIP3 1158 -18.797 17.742 5.108 0.00 0.00 SOLV ATOM 9468 H2 TIP3 1158 -17.681 17.000 4.713 0.00 0.00 SOLV ATOM 9469 OH2 TIP3 1159 -8.965 -24.977 -4.150 0.00 0.00 SOLV ATOM 9470 H1 TIP3 1159 -8.495 -24.553 -4.866 0.00 0.00 SOLV ATOM 9471 H2 TIP3 1159 -9.836 -24.529 -4.136 0.00 0.00 SOLV ATOM 9472 OH2 TIP3 1160 -15.087 -15.318 5.717 0.00 0.00 SOLV ATOM 9473 H1 TIP3 1160 -15.792 -15.551 5.111 0.00 0.00 SOLV ATOM 9474 H2 TIP3 1160 -15.243 -14.386 5.893 0.00 0.00 SOLV ATOM 9475 OH2 TIP3 1161 -4.785 -19.431 -0.080 0.00 0.00 SOLV ATOM 9476 H1 TIP3 1161 -5.370 -20.091 -0.468 0.00 0.00 SOLV ATOM 9477 H2 TIP3 1161 -4.017 -20.002 0.196 0.00 0.00 SOLV ATOM 9478 OH2 TIP3 1162 -10.425 -12.812 -43.603 0.00 0.00 SOLV ATOM 9479 H1 TIP3 1162 -10.507 -13.429 -44.392 0.00 0.00 SOLV ATOM 9480 H2 TIP3 1162 -10.275 -11.920 -44.020 0.00 0.00 SOLV ATOM 9481 OH2 TIP3 1163 -11.507 -2.567 -34.529 0.00 0.00 SOLV ATOM 9482 H1 TIP3 1163 -10.706 -3.100 -34.190 0.00 0.00 SOLV ATOM 9483 H2 TIP3 1163 -12.147 -2.634 -33.805 0.00 0.00 SOLV ATOM 9484 OH2 TIP3 1164 -5.275 -3.220 -44.168 0.00 0.00 SOLV ATOM 9485 H1 TIP3 1164 -4.484 -3.879 -44.154 0.00 0.00 SOLV ATOM 9486 H2 TIP3 1164 -5.671 -3.465 -43.333 0.00 0.00 SOLV ATOM 9487 OH2 TIP3 1165 6.488 -21.738 -26.714 0.00 0.00 SOLV ATOM 9488 H1 TIP3 1165 7.239 -22.086 -27.258 0.00 0.00 SOLV ATOM 9489 H2 TIP3 1165 6.210 -20.981 -27.272 0.00 0.00 SOLV ATOM 9490 OH2 TIP3 1166 -16.152 -15.837 -4.815 0.00 0.00 SOLV ATOM 9491 H1 TIP3 1166 -16.463 -15.155 -4.245 0.00 0.00 SOLV ATOM 9492 H2 TIP3 1166 -15.418 -16.225 -4.315 0.00 0.00 SOLV ATOM 9493 OH2 TIP3 1167 -19.566 -5.349 -28.009 0.00 0.00 SOLV ATOM 9494 H1 TIP3 1167 -19.856 -6.215 -28.212 0.00 0.00 SOLV ATOM 9495 H2 TIP3 1167 -19.656 -5.363 -27.019 0.00 0.00 SOLV ATOM 9496 OH2 TIP3 1168 -24.691 -8.565 -22.909 0.00 0.00 SOLV ATOM 9497 H1 TIP3 1168 -24.835 -9.031 -22.049 0.00 0.00 SOLV ATOM 9498 H2 TIP3 1168 -24.162 -7.748 -22.749 0.00 0.00 SOLV ATOM 9499 OH2 TIP3 1169 -22.154 -8.363 -18.190 0.00 0.00 SOLV ATOM 9500 H1 TIP3 1169 -22.975 -8.293 -17.630 0.00 0.00 SOLV ATOM 9501 H2 TIP3 1169 -21.562 -7.661 -17.902 0.00 0.00 SOLV ATOM 9502 OH2 TIP3 1170 -7.931 -20.557 -7.616 0.00 0.00 SOLV ATOM 9503 H1 TIP3 1170 -7.160 -20.774 -8.221 0.00 0.00 SOLV ATOM 9504 H2 TIP3 1170 -8.703 -20.851 -8.157 0.00 0.00 SOLV ATOM 9505 OH2 TIP3 1171 -17.593 -6.529 -15.623 0.00 0.00 SOLV ATOM 9506 H1 TIP3 1171 -17.752 -5.715 -15.199 0.00 0.00 SOLV ATOM 9507 H2 TIP3 1171 -18.281 -7.107 -15.236 0.00 0.00 SOLV ATOM 9508 OH2 TIP3 1172 -6.083 -21.325 -1.646 0.00 0.00 SOLV ATOM 9509 H1 TIP3 1172 -5.331 -21.921 -1.903 0.00 0.00 SOLV ATOM 9510 H2 TIP3 1172 -6.308 -20.842 -2.434 0.00 0.00 SOLV ATOM 9511 OH2 TIP3 1173 -22.079 -8.967 -1.284 0.00 0.00 SOLV ATOM 9512 H1 TIP3 1173 -21.658 -9.405 -0.535 0.00 0.00 SOLV ATOM 9513 H2 TIP3 1173 -21.947 -9.577 -2.023 0.00 0.00 SOLV ATOM 9514 OH2 TIP3 1174 22.316 6.502 20.752 0.00 0.00 SOLV ATOM 9515 H1 TIP3 1174 21.629 5.972 20.324 0.00 0.00 SOLV ATOM 9516 H2 TIP3 1174 21.831 6.988 21.473 0.00 0.00 SOLV ATOM 9517 OH2 TIP3 1175 -2.963 -1.728 -44.204 0.00 0.00 SOLV ATOM 9518 H1 TIP3 1175 -3.892 -2.112 -44.182 0.00 0.00 SOLV ATOM 9519 H2 TIP3 1175 -2.941 -1.376 -45.124 0.00 0.00 SOLV ATOM 9520 OH2 TIP3 1176 7.495 3.360 -43.172 0.00 0.00 SOLV ATOM 9521 H1 TIP3 1176 8.378 3.415 -42.800 0.00 0.00 SOLV ATOM 9522 H2 TIP3 1176 7.185 2.479 -42.966 0.00 0.00 SOLV ATOM 9523 OH2 TIP3 1177 -3.950 -13.207 -37.959 0.00 0.00 SOLV ATOM 9524 H1 TIP3 1177 -4.044 -14.014 -38.518 0.00 0.00 SOLV ATOM 9525 H2 TIP3 1177 -4.494 -13.440 -37.154 0.00 0.00 SOLV ATOM 9526 OH2 TIP3 1178 -21.893 12.987 3.634 0.00 0.00 SOLV ATOM 9527 H1 TIP3 1178 -22.312 13.838 4.008 0.00 0.00 SOLV ATOM 9528 H2 TIP3 1178 -22.378 12.274 4.063 0.00 0.00 SOLV ATOM 9529 OH2 TIP3 1179 -10.236 -20.339 -18.460 0.00 0.00 SOLV ATOM 9530 H1 TIP3 1179 -10.577 -21.240 -18.259 0.00 0.00 SOLV ATOM 9531 H2 TIP3 1179 -9.307 -20.277 -18.011 0.00 0.00 SOLV ATOM 9532 OH2 TIP3 1180 -12.771 -5.596 -21.352 0.00 0.00 SOLV ATOM 9533 H1 TIP3 1180 -12.008 -6.202 -21.288 0.00 0.00 SOLV ATOM 9534 H2 TIP3 1180 -12.528 -4.948 -22.013 0.00 0.00 SOLV ATOM 9535 OH2 TIP3 1181 -8.492 -15.080 -1.714 0.00 0.00 SOLV ATOM 9536 H1 TIP3 1181 -9.233 -14.548 -1.480 0.00 0.00 SOLV ATOM 9537 H2 TIP3 1181 -8.907 -15.721 -2.356 0.00 0.00 SOLV ATOM 9538 OH2 TIP3 1182 -21.372 -15.586 6.486 0.00 0.00 SOLV ATOM 9539 H1 TIP3 1182 -21.980 -16.243 6.030 0.00 0.00 SOLV ATOM 9540 H2 TIP3 1182 -21.447 -15.856 7.445 0.00 0.00 SOLV ATOM 9541 OH2 TIP3 1183 -22.676 9.898 -11.949 0.00 0.00 SOLV ATOM 9542 H1 TIP3 1183 -23.180 10.319 -11.246 0.00 0.00 SOLV ATOM 9543 H2 TIP3 1183 -23.400 9.530 -12.495 0.00 0.00 SOLV ATOM 9544 OH2 TIP3 1184 -4.804 5.849 -45.778 0.00 0.00 SOLV ATOM 9545 H1 TIP3 1184 -4.922 6.292 -46.633 0.00 0.00 SOLV ATOM 9546 H2 TIP3 1184 -3.849 5.657 -45.788 0.00 0.00 SOLV ATOM 9547 OH2 TIP3 1185 -7.044 -0.226 -20.157 0.00 0.00 SOLV ATOM 9548 H1 TIP3 1185 -7.763 -0.213 -20.819 0.00 0.00 SOLV ATOM 9549 H2 TIP3 1185 -7.475 -0.046 -19.328 0.00 0.00 SOLV ATOM 9550 OH2 TIP3 1186 -16.307 -15.463 -35.756 0.00 0.00 SOLV ATOM 9551 H1 TIP3 1186 -16.069 -16.417 -35.694 0.00 0.00 SOLV ATOM 9552 H2 TIP3 1186 -16.126 -15.174 -34.882 0.00 0.00 SOLV ATOM 9553 OH2 TIP3 1187 -13.193 -6.197 -8.213 0.00 0.00 SOLV ATOM 9554 H1 TIP3 1187 -12.559 -6.459 -8.868 0.00 0.00 SOLV ATOM 9555 H2 TIP3 1187 -13.832 -6.914 -8.268 0.00 0.00 SOLV ATOM 9556 OH2 TIP3 1188 -15.958 18.160 -5.450 0.00 0.00 SOLV ATOM 9557 H1 TIP3 1188 -16.186 18.914 -4.871 0.00 0.00 SOLV ATOM 9558 H2 TIP3 1188 -15.610 17.515 -4.840 0.00 0.00 SOLV ATOM 9559 OH2 TIP3 1189 -0.641 4.207 -20.406 0.00 0.00 SOLV ATOM 9560 H1 TIP3 1189 -0.853 4.635 -21.224 0.00 0.00 SOLV ATOM 9561 H2 TIP3 1189 -0.128 4.906 -19.885 0.00 0.00 SOLV ATOM 9562 OH2 TIP3 1190 -19.714 -27.758 -16.930 0.00 0.00 SOLV ATOM 9563 H1 TIP3 1190 -20.601 -27.502 -16.659 0.00 0.00 SOLV ATOM 9564 H2 TIP3 1190 -19.787 -28.253 -17.725 0.00 0.00 SOLV ATOM 9565 OH2 TIP3 1191 -7.980 -13.420 2.883 0.00 0.00 SOLV ATOM 9566 H1 TIP3 1191 -8.050 -13.266 3.848 0.00 0.00 SOLV ATOM 9567 H2 TIP3 1191 -7.062 -13.660 2.703 0.00 0.00 SOLV ATOM 9568 OH2 TIP3 1192 -3.592 0.072 -40.887 0.00 0.00 SOLV ATOM 9569 H1 TIP3 1192 -4.015 0.960 -41.180 0.00 0.00 SOLV ATOM 9570 H2 TIP3 1192 -4.377 -0.325 -40.373 0.00 0.00 SOLV ATOM 9571 OH2 TIP3 1193 -21.226 8.928 -9.840 0.00 0.00 SOLV ATOM 9572 H1 TIP3 1193 -21.551 8.947 -10.806 0.00 0.00 SOLV ATOM 9573 H2 TIP3 1193 -21.860 9.512 -9.492 0.00 0.00 SOLV ATOM 9574 OH2 TIP3 1194 24.207 -8.661 -22.767 0.00 0.00 SOLV ATOM 9575 H1 TIP3 1194 23.767 -7.900 -23.034 0.00 0.00 SOLV ATOM 9576 H2 TIP3 1194 25.069 -8.538 -23.209 0.00 0.00 SOLV ATOM 9577 OH2 TIP3 1195 4.056 -8.745 -3.206 0.00 0.00 SOLV ATOM 9578 H1 TIP3 1195 5.005 -8.874 -3.205 0.00 0.00 SOLV ATOM 9579 H2 TIP3 1195 4.030 -7.867 -2.847 0.00 0.00 SOLV ATOM 9580 OH2 TIP3 1196 -26.124 6.769 8.223 0.00 0.00 SOLV ATOM 9581 H1 TIP3 1196 -26.560 6.968 9.073 0.00 0.00 SOLV ATOM 9582 H2 TIP3 1196 -26.262 7.513 7.685 0.00 0.00 SOLV ATOM 9583 OH2 TIP3 1197 -2.494 20.709 -21.329 0.00 0.00 SOLV ATOM 9584 H1 TIP3 1197 -2.195 19.829 -21.487 0.00 0.00 SOLV ATOM 9585 H2 TIP3 1197 -2.519 21.169 -22.210 0.00 0.00 SOLV ATOM 9586 OH2 TIP3 1198 -5.373 6.445 -37.360 0.00 0.00 SOLV ATOM 9587 H1 TIP3 1198 -5.219 7.120 -36.740 0.00 0.00 SOLV ATOM 9588 H2 TIP3 1198 -5.594 6.972 -38.107 0.00 0.00 SOLV ATOM 9589 OH2 TIP3 1199 -8.058 -2.730 -44.738 0.00 0.00 SOLV ATOM 9590 H1 TIP3 1199 -8.435 -2.033 -44.227 0.00 0.00 SOLV ATOM 9591 H2 TIP3 1199 -7.084 -2.638 -44.502 0.00 0.00 SOLV ATOM 9592 OH2 TIP3 1200 -16.443 1.753 -34.622 0.00 0.00 SOLV ATOM 9593 H1 TIP3 1200 -16.974 1.389 -33.941 0.00 0.00 SOLV ATOM 9594 H2 TIP3 1200 -15.559 1.573 -34.238 0.00 0.00 SOLV ATOM 9595 OH2 TIP3 1201 -11.722 -7.106 -37.147 0.00 0.00 SOLV ATOM 9596 H1 TIP3 1201 -11.698 -6.703 -38.011 0.00 0.00 SOLV ATOM 9597 H2 TIP3 1201 -11.506 -8.055 -37.391 0.00 0.00 SOLV ATOM 9598 OH2 TIP3 1202 -20.525 1.422 -22.291 0.00 0.00 SOLV ATOM 9599 H1 TIP3 1202 -21.048 2.186 -22.626 0.00 0.00 SOLV ATOM 9600 H2 TIP3 1202 -21.206 0.760 -22.098 0.00 0.00 SOLV ATOM 9601 OH2 TIP3 1203 -18.721 -16.713 -26.871 0.00 0.00 SOLV ATOM 9602 H1 TIP3 1203 -19.573 -16.784 -27.301 0.00 0.00 SOLV ATOM 9603 H2 TIP3 1203 -18.659 -17.608 -26.400 0.00 0.00 SOLV ATOM 9604 OH2 TIP3 1204 -8.700 9.885 -28.848 0.00 0.00 SOLV ATOM 9605 H1 TIP3 1204 -8.991 9.293 -28.173 0.00 0.00 SOLV ATOM 9606 H2 TIP3 1204 -9.065 9.521 -29.684 0.00 0.00 SOLV ATOM 9607 OH2 TIP3 1205 -21.248 2.983 -27.471 0.00 0.00 SOLV ATOM 9608 H1 TIP3 1205 -20.343 2.578 -27.644 0.00 0.00 SOLV ATOM 9609 H2 TIP3 1205 -21.309 3.792 -27.939 0.00 0.00 SOLV ATOM 9610 OH2 TIP3 1206 -18.601 3.413 -26.080 0.00 0.00 SOLV ATOM 9611 H1 TIP3 1206 -18.905 4.104 -25.488 0.00 0.00 SOLV ATOM 9612 H2 TIP3 1206 -18.652 2.601 -25.576 0.00 0.00 SOLV ATOM 9613 OH2 TIP3 1207 -20.972 15.658 -6.687 0.00 0.00 SOLV ATOM 9614 H1 TIP3 1207 -20.119 15.942 -6.419 0.00 0.00 SOLV ATOM 9615 H2 TIP3 1207 -21.175 16.255 -7.473 0.00 0.00 SOLV ATOM 9616 OH2 TIP3 1208 -26.539 4.894 -13.107 0.00 0.00 SOLV ATOM 9617 H1 TIP3 1208 -25.617 4.625 -13.203 0.00 0.00 SOLV ATOM 9618 H2 TIP3 1208 -26.648 4.722 -12.162 0.00 0.00 SOLV ATOM 9619 OH2 TIP3 1209 -22.944 3.119 -12.077 0.00 0.00 SOLV ATOM 9620 H1 TIP3 1209 -23.146 2.133 -12.161 0.00 0.00 SOLV ATOM 9621 H2 TIP3 1209 -23.123 3.441 -12.971 0.00 0.00 SOLV ATOM 9622 OH2 TIP3 1210 -16.596 10.882 -18.278 0.00 0.00 SOLV ATOM 9623 H1 TIP3 1210 -16.002 10.341 -17.772 0.00 0.00 SOLV ATOM 9624 H2 TIP3 1210 -16.127 11.063 -19.070 0.00 0.00 SOLV ATOM 9625 OH2 TIP3 1211 -8.315 12.171 -42.121 0.00 0.00 SOLV ATOM 9626 H1 TIP3 1211 -7.416 12.575 -42.186 0.00 0.00 SOLV ATOM 9627 H2 TIP3 1211 -8.660 12.655 -41.410 0.00 0.00 SOLV ATOM 9628 OH2 TIP3 1212 -22.568 8.567 -29.229 0.00 0.00 SOLV ATOM 9629 H1 TIP3 1212 -21.651 8.469 -29.517 0.00 0.00 SOLV ATOM 9630 H2 TIP3 1212 -22.465 8.934 -28.333 0.00 0.00 SOLV ATOM 9631 OH2 TIP3 1213 -9.512 17.636 -26.942 0.00 0.00 SOLV ATOM 9632 H1 TIP3 1213 -10.166 17.892 -26.327 0.00 0.00 SOLV ATOM 9633 H2 TIP3 1213 -8.698 18.097 -26.570 0.00 0.00 SOLV ATOM 9634 OH2 TIP3 1214 -7.799 4.135 -34.605 0.00 0.00 SOLV ATOM 9635 H1 TIP3 1214 -8.669 3.672 -34.411 0.00 0.00 SOLV ATOM 9636 H2 TIP3 1214 -7.793 4.170 -35.584 0.00 0.00 SOLV ATOM 9637 OH2 TIP3 1215 -6.765 8.061 -32.545 0.00 0.00 SOLV ATOM 9638 H1 TIP3 1215 -7.505 7.435 -32.662 0.00 0.00 SOLV ATOM 9639 H2 TIP3 1215 -6.439 7.764 -31.702 0.00 0.00 SOLV ATOM 9640 OH2 TIP3 1216 -16.451 0.267 -22.366 0.00 0.00 SOLV ATOM 9641 H1 TIP3 1216 -16.273 0.760 -21.539 0.00 0.00 SOLV ATOM 9642 H2 TIP3 1216 -16.211 -0.689 -22.205 0.00 0.00 SOLV ATOM 9643 OH2 TIP3 1217 -21.580 -4.301 -9.303 0.00 0.00 SOLV ATOM 9644 H1 TIP3 1217 -20.814 -4.902 -9.366 0.00 0.00 SOLV ATOM 9645 H2 TIP3 1217 -22.289 -4.852 -8.951 0.00 0.00 SOLV ATOM 9646 OH2 TIP3 1218 -2.486 13.437 8.950 0.00 0.00 SOLV ATOM 9647 H1 TIP3 1218 -3.429 13.547 8.858 0.00 0.00 SOLV ATOM 9648 H2 TIP3 1218 -2.359 13.913 9.831 0.00 0.00 SOLV ATOM 9649 OH2 TIP3 1219 -22.503 -8.737 -5.741 0.00 0.00 SOLV ATOM 9650 H1 TIP3 1219 -23.370 -8.298 -5.931 0.00 0.00 SOLV ATOM 9651 H2 TIP3 1219 -22.669 -9.484 -5.105 0.00 0.00 SOLV ATOM 9652 OH2 TIP3 1220 -10.039 10.461 -39.659 0.00 0.00 SOLV ATOM 9653 H1 TIP3 1220 -10.407 10.364 -40.561 0.00 0.00 SOLV ATOM 9654 H2 TIP3 1220 -10.304 11.364 -39.460 0.00 0.00 SOLV ATOM 9655 OH2 TIP3 1221 -6.861 -3.836 -18.960 0.00 0.00 SOLV ATOM 9656 H1 TIP3 1221 -7.409 -3.741 -18.111 0.00 0.00 SOLV ATOM 9657 H2 TIP3 1221 -6.083 -4.402 -18.704 0.00 0.00 SOLV ATOM 9658 OH2 TIP3 1222 0.341 -10.487 -29.552 0.00 0.00 SOLV ATOM 9659 H1 TIP3 1222 -0.075 -10.765 -30.370 0.00 0.00 SOLV ATOM 9660 H2 TIP3 1222 -0.329 -9.793 -29.229 0.00 0.00 SOLV ATOM 9661 OH2 TIP3 1223 -18.416 1.021 -9.985 0.00 0.00 SOLV ATOM 9662 H1 TIP3 1223 -18.539 0.380 -9.235 0.00 0.00 SOLV ATOM 9663 H2 TIP3 1223 -18.797 1.783 -9.653 0.00 0.00 SOLV ATOM 9664 OH2 TIP3 1224 4.359 20.317 -30.872 0.00 0.00 SOLV ATOM 9665 H1 TIP3 1224 4.627 19.739 -31.582 0.00 0.00 SOLV ATOM 9666 H2 TIP3 1224 3.612 19.871 -30.388 0.00 0.00 SOLV ATOM 9667 OH2 TIP3 1225 -24.680 7.490 -3.117 0.00 0.00 SOLV ATOM 9668 H1 TIP3 1225 -25.194 8.270 -3.423 0.00 0.00 SOLV ATOM 9669 H2 TIP3 1225 -25.270 7.050 -2.463 0.00 0.00 SOLV ATOM 9670 OH2 TIP3 1226 -8.093 0.490 -9.305 0.00 0.00 SOLV ATOM 9671 H1 TIP3 1226 -8.551 0.590 -8.439 0.00 0.00 SOLV ATOM 9672 H2 TIP3 1226 -7.163 0.701 -9.144 0.00 0.00 SOLV ATOM 9673 OH2 TIP3 1227 -10.491 7.350 -29.364 0.00 0.00 SOLV ATOM 9674 H1 TIP3 1227 -11.273 7.083 -28.867 0.00 0.00 SOLV ATOM 9675 H2 TIP3 1227 -10.078 6.528 -29.678 0.00 0.00 SOLV ATOM 9676 OH2 TIP3 1228 -14.236 14.294 -34.251 0.00 0.00 SOLV ATOM 9677 H1 TIP3 1228 -13.235 14.343 -34.393 0.00 0.00 SOLV ATOM 9678 H2 TIP3 1228 -14.392 13.370 -34.154 0.00 0.00 SOLV ATOM 9679 OH2 TIP3 1229 -12.358 15.955 -32.006 0.00 0.00 SOLV ATOM 9680 H1 TIP3 1229 -12.918 16.305 -32.687 0.00 0.00 SOLV ATOM 9681 H2 TIP3 1229 -12.651 15.074 -31.940 0.00 0.00 SOLV ATOM 9682 OH2 TIP3 1230 -25.755 15.182 -6.587 0.00 0.00 SOLV ATOM 9683 H1 TIP3 1230 -24.911 14.849 -6.158 0.00 0.00 SOLV ATOM 9684 H2 TIP3 1230 -25.625 14.884 -7.493 0.00 0.00 SOLV ATOM 9685 OH2 TIP3 1231 -26.026 11.594 -2.211 0.00 0.00 SOLV ATOM 9686 H1 TIP3 1231 -26.388 11.033 -1.481 0.00 0.00 SOLV ATOM 9687 H2 TIP3 1231 -25.229 11.933 -1.775 0.00 0.00 SOLV ATOM 9688 OH2 TIP3 1232 -8.853 12.102 -45.162 0.00 0.00 SOLV ATOM 9689 H1 TIP3 1232 -9.072 11.834 -44.201 0.00 0.00 SOLV ATOM 9690 H2 TIP3 1232 -9.585 12.674 -45.448 0.00 0.00 SOLV ATOM 9691 OH2 TIP3 1233 -9.863 16.705 -22.742 0.00 0.00 SOLV ATOM 9692 H1 TIP3 1233 -9.251 17.143 -23.336 0.00 0.00 SOLV ATOM 9693 H2 TIP3 1233 -9.567 15.791 -22.858 0.00 0.00 SOLV ATOM 9694 OH2 TIP3 1234 -22.115 8.539 -25.285 0.00 0.00 SOLV ATOM 9695 H1 TIP3 1234 -22.761 8.009 -25.880 0.00 0.00 SOLV ATOM 9696 H2 TIP3 1234 -21.510 8.836 -25.855 0.00 0.00 SOLV ATOM 9697 OH2 TIP3 1235 -4.095 15.104 -38.197 0.00 0.00 SOLV ATOM 9698 H1 TIP3 1235 -4.415 16.071 -38.244 0.00 0.00 SOLV ATOM 9699 H2 TIP3 1235 -3.120 15.087 -38.333 0.00 0.00 SOLV ATOM 9700 OH2 TIP3 1236 -24.946 13.437 -17.254 0.00 0.00 SOLV ATOM 9701 H1 TIP3 1236 -23.978 13.249 -17.284 0.00 0.00 SOLV ATOM 9702 H2 TIP3 1236 -25.242 13.230 -16.344 0.00 0.00 SOLV ATOM 9703 OH2 TIP3 1237 -27.329 3.046 -10.293 0.00 0.00 SOLV ATOM 9704 H1 TIP3 1237 -26.404 2.960 -10.247 0.00 0.00 SOLV ATOM 9705 H2 TIP3 1237 -27.452 3.985 -10.094 0.00 0.00 SOLV ATOM 9706 OH2 TIP3 1238 -24.602 9.917 9.411 0.00 0.00 SOLV ATOM 9707 H1 TIP3 1238 -25.464 9.737 8.967 0.00 0.00 SOLV ATOM 9708 H2 TIP3 1238 -24.659 9.303 10.237 0.00 0.00 SOLV ATOM 9709 OH2 TIP3 1239 10.754 -13.974 -25.199 0.00 0.00 SOLV ATOM 9710 H1 TIP3 1239 10.206 -13.226 -25.371 0.00 0.00 SOLV ATOM 9711 H2 TIP3 1239 11.517 -13.546 -24.934 0.00 0.00 SOLV ATOM 9712 OH2 TIP3 1240 -9.698 15.433 -31.059 0.00 0.00 SOLV ATOM 9713 H1 TIP3 1240 -10.634 15.609 -31.366 0.00 0.00 SOLV ATOM 9714 H2 TIP3 1240 -9.772 15.273 -30.092 0.00 0.00 SOLV ATOM 9715 OH2 TIP3 1241 -6.313 9.197 -38.498 0.00 0.00 SOLV ATOM 9716 H1 TIP3 1241 -5.997 9.334 -39.436 0.00 0.00 SOLV ATOM 9717 H2 TIP3 1241 -5.526 9.071 -37.979 0.00 0.00 SOLV ATOM 9718 OH2 TIP3 1242 3.554 -27.965 6.602 0.00 0.00 SOLV ATOM 9719 H1 TIP3 1242 3.774 -27.723 5.738 0.00 0.00 SOLV ATOM 9720 H2 TIP3 1242 2.936 -27.341 6.949 0.00 0.00 SOLV ATOM 9721 OH2 TIP3 1243 -1.700 17.530 -22.183 0.00 0.00 SOLV ATOM 9722 H1 TIP3 1243 -1.098 18.300 -22.271 0.00 0.00 SOLV ATOM 9723 H2 TIP3 1243 -1.593 17.073 -23.063 0.00 0.00 SOLV ATOM 9724 OH2 TIP3 1244 -2.485 11.072 -28.870 0.00 0.00 SOLV ATOM 9725 H1 TIP3 1244 -2.532 10.146 -28.672 0.00 0.00 SOLV ATOM 9726 H2 TIP3 1244 -3.272 11.399 -28.399 0.00 0.00 SOLV ATOM 9727 OH2 TIP3 1245 -7.508 -30.382 -17.641 0.00 0.00 SOLV ATOM 9728 H1 TIP3 1245 -8.060 -29.661 -17.921 0.00 0.00 SOLV ATOM 9729 H2 TIP3 1245 -8.161 -31.044 -17.354 0.00 0.00 SOLV ATOM 9730 OH2 TIP3 1246 3.959 15.603 -48.247 0.00 0.00 SOLV ATOM 9731 H1 TIP3 1246 4.423 14.766 -48.304 0.00 0.00 SOLV ATOM 9732 H2 TIP3 1246 4.636 16.258 -48.323 0.00 0.00 SOLV ATOM 9733 OH2 TIP3 1247 -23.439 16.050 2.015 0.00 0.00 SOLV ATOM 9734 H1 TIP3 1247 -23.711 15.278 1.503 0.00 0.00 SOLV ATOM 9735 H2 TIP3 1247 -23.438 15.714 2.982 0.00 0.00 SOLV ATOM 9736 OH2 TIP3 1248 -12.306 -28.560 -5.904 0.00 0.00 SOLV ATOM 9737 H1 TIP3 1248 -12.963 -28.901 -6.577 0.00 0.00 SOLV ATOM 9738 H2 TIP3 1248 -12.132 -29.354 -5.360 0.00 0.00 SOLV ATOM 9739 OH2 TIP3 1249 -8.047 -32.804 -12.232 0.00 0.00 SOLV ATOM 9740 H1 TIP3 1249 -8.161 -33.411 -12.943 0.00 0.00 SOLV ATOM 9741 H2 TIP3 1249 -8.854 -33.037 -11.738 0.00 0.00 SOLV ATOM 9742 OH2 TIP3 1250 10.275 26.706 -26.213 0.00 0.00 SOLV ATOM 9743 H1 TIP3 1250 11.155 27.004 -26.222 0.00 0.00 SOLV ATOM 9744 H2 TIP3 1250 10.255 25.868 -26.675 0.00 0.00 SOLV ATOM 9745 OH2 TIP3 1251 -2.443 -28.446 -22.384 0.00 0.00 SOLV ATOM 9746 H1 TIP3 1251 -3.068 -28.233 -23.104 0.00 0.00 SOLV ATOM 9747 H2 TIP3 1251 -2.116 -27.605 -22.114 0.00 0.00 SOLV ATOM 9748 OH2 TIP3 1252 -18.410 -23.310 -11.155 0.00 0.00 SOLV ATOM 9749 H1 TIP3 1252 -18.089 -24.188 -11.221 0.00 0.00 SOLV ATOM 9750 H2 TIP3 1252 -17.962 -22.791 -11.857 0.00 0.00 SOLV ATOM 9751 OH2 TIP3 1253 -4.181 -34.280 5.621 0.00 0.00 SOLV ATOM 9752 H1 TIP3 1253 -3.302 -34.677 5.518 0.00 0.00 SOLV ATOM 9753 H2 TIP3 1253 -4.660 -35.075 5.817 0.00 0.00 SOLV ATOM 9754 OH2 TIP3 1254 -16.765 -20.529 -23.465 0.00 0.00 SOLV ATOM 9755 H1 TIP3 1254 -17.501 -20.896 -23.023 0.00 0.00 SOLV ATOM 9756 H2 TIP3 1254 -16.230 -20.506 -22.644 0.00 0.00 SOLV ATOM 9757 OH2 TIP3 1255 -10.736 -32.362 -18.839 0.00 0.00 SOLV ATOM 9758 H1 TIP3 1255 -10.497 -32.546 -17.930 0.00 0.00 SOLV ATOM 9759 H2 TIP3 1255 -10.618 -33.170 -19.268 0.00 0.00 SOLV ATOM 9760 OH2 TIP3 1256 -23.290 -28.407 -13.210 0.00 0.00 SOLV ATOM 9761 H1 TIP3 1256 -24.067 -28.645 -13.734 0.00 0.00 SOLV ATOM 9762 H2 TIP3 1256 -23.698 -28.254 -12.290 0.00 0.00 SOLV ATOM 9763 OH2 TIP3 1257 -2.976 -23.782 1.318 0.00 0.00 SOLV ATOM 9764 H1 TIP3 1257 -2.146 -23.789 1.906 0.00 0.00 SOLV ATOM 9765 H2 TIP3 1257 -3.543 -23.245 1.880 0.00 0.00 SOLV ATOM 9766 OH2 TIP3 1258 -5.315 8.547 -26.926 0.00 0.00 SOLV ATOM 9767 H1 TIP3 1258 -5.368 9.378 -26.482 0.00 0.00 SOLV ATOM 9768 H2 TIP3 1258 -4.380 8.523 -27.187 0.00 0.00 SOLV ATOM 9769 OH2 TIP3 1259 -1.573 -17.360 -32.438 0.00 0.00 SOLV ATOM 9770 H1 TIP3 1259 -0.746 -16.864 -32.498 0.00 0.00 SOLV ATOM 9771 H2 TIP3 1259 -1.262 -18.127 -31.930 0.00 0.00 SOLV ATOM 9772 OH2 TIP3 1260 13.652 -16.660 18.656 0.00 0.00 SOLV ATOM 9773 H1 TIP3 1260 14.206 -16.538 17.877 0.00 0.00 SOLV ATOM 9774 H2 TIP3 1260 14.001 -17.496 18.980 0.00 0.00 SOLV ATOM 9775 OH2 TIP3 1261 -7.462 -28.938 -23.690 0.00 0.00 SOLV ATOM 9776 H1 TIP3 1261 -8.286 -29.002 -24.128 0.00 0.00 SOLV ATOM 9777 H2 TIP3 1261 -7.772 -29.287 -22.829 0.00 0.00 SOLV ATOM 9778 OH2 TIP3 1262 -19.216 -30.228 -21.555 0.00 0.00 SOLV ATOM 9779 H1 TIP3 1262 -18.411 -30.711 -21.392 0.00 0.00 SOLV ATOM 9780 H2 TIP3 1262 -19.465 -30.595 -22.400 0.00 0.00 SOLV ATOM 9781 OH2 TIP3 1263 -1.674 -10.436 -18.392 0.00 0.00 SOLV ATOM 9782 H1 TIP3 1263 -2.454 -10.797 -18.019 0.00 0.00 SOLV ATOM 9783 H2 TIP3 1263 -1.732 -9.494 -18.117 0.00 0.00 SOLV ATOM 9784 OH2 TIP3 1264 4.947 -25.520 -25.032 0.00 0.00 SOLV ATOM 9785 H1 TIP3 1264 4.048 -25.131 -25.057 0.00 0.00 SOLV ATOM 9786 H2 TIP3 1264 4.797 -26.398 -24.621 0.00 0.00 SOLV ATOM 9787 OH2 TIP3 1265 8.407 -23.091 -28.168 0.00 0.00 SOLV ATOM 9788 H1 TIP3 1265 8.991 -22.559 -28.675 0.00 0.00 SOLV ATOM 9789 H2 TIP3 1265 8.685 -23.955 -28.437 0.00 0.00 SOLV ATOM 9790 OH2 TIP3 1266 0.729 -22.513 -27.949 0.00 0.00 SOLV ATOM 9791 H1 TIP3 1266 1.014 -22.914 -27.094 0.00 0.00 SOLV ATOM 9792 H2 TIP3 1266 -0.127 -22.110 -27.627 0.00 0.00 SOLV ATOM 9793 OH2 TIP3 1267 -15.924 -9.502 -20.281 0.00 0.00 SOLV ATOM 9794 H1 TIP3 1267 -15.298 -9.484 -19.508 0.00 0.00 SOLV ATOM 9795 H2 TIP3 1267 -16.823 -9.866 -19.926 0.00 0.00 SOLV ATOM 9796 OH2 TIP3 1268 -8.396 -31.275 -6.714 0.00 0.00 SOLV ATOM 9797 H1 TIP3 1268 -9.076 -30.930 -7.351 0.00 0.00 SOLV ATOM 9798 H2 TIP3 1268 -8.067 -32.114 -7.167 0.00 0.00 SOLV ATOM 9799 OH2 TIP3 1269 -13.757 -22.900 -2.520 0.00 0.00 SOLV ATOM 9800 H1 TIP3 1269 -13.723 -22.013 -2.137 0.00 0.00 SOLV ATOM 9801 H2 TIP3 1269 -13.092 -23.386 -1.925 0.00 0.00 SOLV ATOM 9802 OH2 TIP3 1270 -9.254 -27.658 2.480 0.00 0.00 SOLV ATOM 9803 H1 TIP3 1270 -9.925 -28.228 2.088 0.00 0.00 SOLV ATOM 9804 H2 TIP3 1270 -8.889 -27.151 1.794 0.00 0.00 SOLV ATOM 9805 OH2 TIP3 1271 -8.018 -22.823 -35.197 0.00 0.00 SOLV ATOM 9806 H1 TIP3 1271 -8.416 -23.349 -34.494 0.00 0.00 SOLV ATOM 9807 H2 TIP3 1271 -7.503 -22.195 -34.680 0.00 0.00 SOLV ATOM 9808 OH2 TIP3 1272 -15.648 -15.229 -41.849 0.00 0.00 SOLV ATOM 9809 H1 TIP3 1272 -16.479 -15.577 -41.587 0.00 0.00 SOLV ATOM 9810 H2 TIP3 1272 -15.406 -14.565 -41.108 0.00 0.00 SOLV ATOM 9811 OH2 TIP3 1273 11.735 -10.450 -16.958 0.00 0.00 SOLV ATOM 9812 H1 TIP3 1273 11.152 -9.970 -16.482 0.00 0.00 SOLV ATOM 9813 H2 TIP3 1273 12.269 -10.843 -16.245 0.00 0.00 SOLV ATOM 9814 OH2 TIP3 1274 -19.124 -20.853 -22.100 0.00 0.00 SOLV ATOM 9815 H1 TIP3 1274 -19.529 -21.311 -21.427 0.00 0.00 SOLV ATOM 9816 H2 TIP3 1274 -19.707 -20.205 -22.334 0.00 0.00 SOLV ATOM 9817 OH2 TIP3 1275 -9.314 -24.985 -23.772 0.00 0.00 SOLV ATOM 9818 H1 TIP3 1275 -9.990 -24.929 -23.093 0.00 0.00 SOLV ATOM 9819 H2 TIP3 1275 -9.737 -24.778 -24.680 0.00 0.00 SOLV ATOM 9820 OH2 TIP3 1276 -2.865 -29.578 -13.382 0.00 0.00 SOLV ATOM 9821 H1 TIP3 1276 -2.611 -29.254 -14.273 0.00 0.00 SOLV ATOM 9822 H2 TIP3 1276 -2.221 -30.337 -13.322 0.00 0.00 SOLV ATOM 9823 OH2 TIP3 1277 -19.382 -29.654 -9.073 0.00 0.00 SOLV ATOM 9824 H1 TIP3 1277 -18.470 -29.959 -8.819 0.00 0.00 SOLV ATOM 9825 H2 TIP3 1277 -19.422 -29.918 -9.965 0.00 0.00 SOLV ATOM 9826 OH2 TIP3 1278 -17.075 -25.994 -11.325 0.00 0.00 SOLV ATOM 9827 H1 TIP3 1278 -16.137 -26.097 -11.068 0.00 0.00 SOLV ATOM 9828 H2 TIP3 1278 -17.358 -26.829 -11.688 0.00 0.00 SOLV ATOM 9829 OH2 TIP3 1279 -1.537 -27.538 -10.200 0.00 0.00 SOLV ATOM 9830 H1 TIP3 1279 -2.472 -27.772 -9.920 0.00 0.00 SOLV ATOM 9831 H2 TIP3 1279 -0.976 -27.772 -9.380 0.00 0.00 SOLV ATOM 9832 OH2 TIP3 1280 -7.811 -30.652 -21.581 0.00 0.00 SOLV ATOM 9833 H1 TIP3 1280 -7.619 -31.579 -21.537 0.00 0.00 SOLV ATOM 9834 H2 TIP3 1280 -8.713 -30.545 -21.279 0.00 0.00 SOLV ATOM 9835 OH2 TIP3 1281 -14.067 -26.930 -2.622 0.00 0.00 SOLV ATOM 9836 H1 TIP3 1281 -14.803 -26.561 -2.054 0.00 0.00 SOLV ATOM 9837 H2 TIP3 1281 -14.420 -27.733 -3.072 0.00 0.00 SOLV ATOM 9838 OH2 TIP3 1282 -15.198 -27.054 6.279 0.00 0.00 SOLV ATOM 9839 H1 TIP3 1282 -15.038 -26.183 6.581 0.00 0.00 SOLV ATOM 9840 H2 TIP3 1282 -14.714 -27.002 5.438 0.00 0.00 SOLV ATOM 9841 OH2 TIP3 1283 -9.692 -10.347 -19.764 0.00 0.00 SOLV ATOM 9842 H1 TIP3 1283 -9.282 -11.028 -19.258 0.00 0.00 SOLV ATOM 9843 H2 TIP3 1283 -9.581 -10.674 -20.694 0.00 0.00 SOLV ATOM 9844 OH2 TIP3 1284 -18.811 -21.387 -6.716 0.00 0.00 SOLV ATOM 9845 H1 TIP3 1284 -18.703 -21.703 -5.774 0.00 0.00 SOLV ATOM 9846 H2 TIP3 1284 -18.528 -22.183 -7.280 0.00 0.00 SOLV ATOM 9847 OH2 TIP3 1285 -11.212 -11.157 19.558 0.00 0.00 SOLV ATOM 9848 H1 TIP3 1285 -10.231 -11.120 19.642 0.00 0.00 SOLV ATOM 9849 H2 TIP3 1285 -11.394 -10.204 19.670 0.00 0.00 SOLV ATOM 9850 OH2 TIP3 1286 4.193 -11.677 -34.847 0.00 0.00 SOLV ATOM 9851 H1 TIP3 1286 4.342 -11.656 -33.914 0.00 0.00 SOLV ATOM 9852 H2 TIP3 1286 3.416 -12.318 -34.887 0.00 0.00 SOLV ATOM 9853 OH2 TIP3 1287 -2.705 -26.341 -27.995 0.00 0.00 SOLV ATOM 9854 H1 TIP3 1287 -2.804 -26.750 -28.871 0.00 0.00 SOLV ATOM 9855 H2 TIP3 1287 -3.443 -25.746 -27.934 0.00 0.00 SOLV ATOM 9856 OH2 TIP3 1288 -11.525 -22.044 -26.798 0.00 0.00 SOLV ATOM 9857 H1 TIP3 1288 -10.845 -21.479 -26.443 0.00 0.00 SOLV ATOM 9858 H2 TIP3 1288 -11.492 -21.884 -27.738 0.00 0.00 SOLV ATOM 9859 OH2 TIP3 1289 -22.506 0.402 -24.334 0.00 0.00 SOLV ATOM 9860 H1 TIP3 1289 -22.880 0.209 -23.461 0.00 0.00 SOLV ATOM 9861 H2 TIP3 1289 -22.009 1.236 -24.138 0.00 0.00 SOLV ATOM 9862 OH2 TIP3 1290 2.701 -17.058 -10.234 0.00 0.00 SOLV ATOM 9863 H1 TIP3 1290 3.085 -16.209 -9.992 0.00 0.00 SOLV ATOM 9864 H2 TIP3 1290 3.239 -17.236 -11.055 0.00 0.00 SOLV ATOM 9865 OH2 TIP3 1291 0.456 -7.836 -31.701 0.00 0.00 SOLV ATOM 9866 H1 TIP3 1291 1.311 -7.484 -31.965 0.00 0.00 SOLV ATOM 9867 H2 TIP3 1291 0.703 -8.313 -30.863 0.00 0.00 SOLV ATOM 9868 OH2 TIP3 1292 -20.299 -15.143 -14.854 0.00 0.00 SOLV ATOM 9869 H1 TIP3 1292 -20.178 -15.844 -15.559 0.00 0.00 SOLV ATOM 9870 H2 TIP3 1292 -19.723 -14.528 -15.162 0.00 0.00 SOLV ATOM 9871 OH2 TIP3 1293 -11.812 -23.863 -0.799 0.00 0.00 SOLV ATOM 9872 H1 TIP3 1293 -11.041 -24.375 -1.031 0.00 0.00 SOLV ATOM 9873 H2 TIP3 1293 -11.873 -24.161 0.187 0.00 0.00 SOLV ATOM 9874 OH2 TIP3 1294 3.602 -25.123 -0.162 0.00 0.00 SOLV ATOM 9875 H1 TIP3 1294 2.816 -24.984 0.372 0.00 0.00 SOLV ATOM 9876 H2 TIP3 1294 3.542 -24.332 -0.741 0.00 0.00 SOLV ATOM 9877 OH2 TIP3 1295 16.882 2.933 7.331 0.00 0.00 SOLV ATOM 9878 H1 TIP3 1295 16.532 3.500 6.635 0.00 0.00 SOLV ATOM 9879 H2 TIP3 1295 17.845 3.040 7.161 0.00 0.00 SOLV ATOM 9880 OH2 TIP3 1296 -14.663 -7.958 -45.945 0.00 0.00 SOLV ATOM 9881 H1 TIP3 1296 -14.930 -8.855 -45.654 0.00 0.00 SOLV ATOM 9882 H2 TIP3 1296 -15.319 -7.706 -46.662 0.00 0.00 SOLV ATOM 9883 OH2 TIP3 1297 -9.653 -20.093 -34.878 0.00 0.00 SOLV ATOM 9884 H1 TIP3 1297 -10.481 -20.335 -34.408 0.00 0.00 SOLV ATOM 9885 H2 TIP3 1297 -9.178 -20.976 -34.849 0.00 0.00 SOLV ATOM 9886 OH2 TIP3 1298 -18.754 -15.708 -20.576 0.00 0.00 SOLV ATOM 9887 H1 TIP3 1298 -17.881 -15.320 -20.657 0.00 0.00 SOLV ATOM 9888 H2 TIP3 1298 -18.666 -16.323 -19.861 0.00 0.00 SOLV ATOM 9889 OH2 TIP3 1299 9.008 -17.088 -21.412 0.00 0.00 SOLV ATOM 9890 H1 TIP3 1299 9.301 -17.990 -21.258 0.00 0.00 SOLV ATOM 9891 H2 TIP3 1299 9.499 -16.750 -22.208 0.00 0.00 SOLV ATOM 9892 OH2 TIP3 1300 -13.481 -11.614 12.721 0.00 0.00 SOLV ATOM 9893 H1 TIP3 1300 -12.663 -11.762 12.228 0.00 0.00 SOLV ATOM 9894 H2 TIP3 1300 -13.111 -11.471 13.619 0.00 0.00 SOLV ATOM 9895 OH2 TIP3 1301 -3.067 -23.428 -10.158 0.00 0.00 SOLV ATOM 9896 H1 TIP3 1301 -2.384 -23.587 -10.852 0.00 0.00 SOLV ATOM 9897 H2 TIP3 1301 -2.845 -22.618 -9.701 0.00 0.00 SOLV ATOM 9898 OH2 TIP3 1302 -7.110 -29.283 -11.116 0.00 0.00 SOLV ATOM 9899 H1 TIP3 1302 -7.505 -28.559 -11.530 0.00 0.00 SOLV ATOM 9900 H2 TIP3 1302 -7.738 -29.462 -10.349 0.00 0.00 SOLV ATOM 9901 OH2 TIP3 1303 -0.251 -27.863 -0.206 0.00 0.00 SOLV ATOM 9902 H1 TIP3 1303 -1.139 -28.243 -0.135 0.00 0.00 SOLV ATOM 9903 H2 TIP3 1303 -0.118 -27.743 -1.155 0.00 0.00 SOLV ATOM 9904 OH2 TIP3 1304 -11.213 -27.510 -8.765 0.00 0.00 SOLV ATOM 9905 H1 TIP3 1304 -12.098 -27.740 -9.186 0.00 0.00 SOLV ATOM 9906 H2 TIP3 1304 -11.179 -26.519 -8.863 0.00 0.00 SOLV ATOM 9907 OH2 TIP3 1305 -11.485 -13.987 -3.267 0.00 0.00 SOLV ATOM 9908 H1 TIP3 1305 -11.719 -14.765 -2.692 0.00 0.00 SOLV ATOM 9909 H2 TIP3 1305 -11.027 -14.387 -4.073 0.00 0.00 SOLV ATOM 9910 OH2 TIP3 1306 -0.239 -20.626 -8.252 0.00 0.00 SOLV ATOM 9911 H1 TIP3 1306 -0.017 -20.346 -9.193 0.00 0.00 SOLV ATOM 9912 H2 TIP3 1306 -0.231 -19.776 -7.837 0.00 0.00 SOLV ATOM 9913 OH2 TIP3 1307 -13.777 -9.986 -44.033 0.00 0.00 SOLV ATOM 9914 H1 TIP3 1307 -14.257 -9.406 -43.397 0.00 0.00 SOLV ATOM 9915 H2 TIP3 1307 -14.150 -10.916 -43.856 0.00 0.00 SOLV ATOM 9916 OH2 TIP3 1308 -8.639 -12.570 -41.441 0.00 0.00 SOLV ATOM 9917 H1 TIP3 1308 -9.212 -12.701 -40.730 0.00 0.00 SOLV ATOM 9918 H2 TIP3 1308 -9.168 -12.906 -42.210 0.00 0.00 SOLV ATOM 9919 OH2 TIP3 1309 8.324 0.515 -52.179 0.00 0.00 SOLV ATOM 9920 H1 TIP3 1309 7.615 0.313 -51.614 0.00 0.00 SOLV ATOM 9921 H2 TIP3 1309 7.892 1.015 -52.840 0.00 0.00 SOLV ATOM 9922 OH2 TIP3 1310 -13.789 -18.188 -28.385 0.00 0.00 SOLV ATOM 9923 H1 TIP3 1310 -14.211 -18.691 -27.731 0.00 0.00 SOLV ATOM 9924 H2 TIP3 1310 -13.176 -18.779 -28.790 0.00 0.00 SOLV ATOM 9925 OH2 TIP3 1311 -23.574 -19.787 -17.347 0.00 0.00 SOLV ATOM 9926 H1 TIP3 1311 -24.173 -20.472 -17.235 0.00 0.00 SOLV ATOM 9927 H2 TIP3 1311 -23.860 -19.119 -16.737 0.00 0.00 SOLV ATOM 9928 OH2 TIP3 1312 -11.761 20.826 -3.826 0.00 0.00 SOLV ATOM 9929 H1 TIP3 1312 -12.491 21.503 -3.837 0.00 0.00 SOLV ATOM 9930 H2 TIP3 1312 -11.687 20.537 -4.773 0.00 0.00 SOLV ATOM 9931 OH2 TIP3 1313 -21.600 -0.528 -16.805 0.00 0.00 SOLV ATOM 9932 H1 TIP3 1313 -20.832 -1.153 -16.663 0.00 0.00 SOLV ATOM 9933 H2 TIP3 1313 -21.624 0.128 -16.059 0.00 0.00 SOLV ATOM 9934 OH2 TIP3 1314 -11.692 -22.365 -14.592 0.00 0.00 SOLV ATOM 9935 H1 TIP3 1314 -11.288 -22.489 -15.466 0.00 0.00 SOLV ATOM 9936 H2 TIP3 1314 -12.570 -22.110 -14.760 0.00 0.00 SOLV ATOM 9937 OH2 TIP3 1315 -13.231 -3.969 -10.796 0.00 0.00 SOLV ATOM 9938 H1 TIP3 1315 -14.090 -3.503 -10.809 0.00 0.00 SOLV ATOM 9939 H2 TIP3 1315 -13.206 -4.719 -11.411 0.00 0.00 SOLV ATOM 9940 OH2 TIP3 1316 -18.099 -18.498 -4.297 0.00 0.00 SOLV ATOM 9941 H1 TIP3 1316 -17.544 -18.561 -3.528 0.00 0.00 SOLV ATOM 9942 H2 TIP3 1316 -17.462 -18.474 -5.048 0.00 0.00 SOLV ATOM 9943 OH2 TIP3 1317 6.691 -20.992 -10.947 0.00 0.00 SOLV ATOM 9944 H1 TIP3 1317 7.140 -21.557 -11.545 0.00 0.00 SOLV ATOM 9945 H2 TIP3 1317 6.998 -20.028 -11.182 0.00 0.00 SOLV ATOM 9946 OH2 TIP3 1318 -25.165 -14.655 6.561 0.00 0.00 SOLV ATOM 9947 H1 TIP3 1318 -25.030 -14.083 5.825 0.00 0.00 SOLV ATOM 9948 H2 TIP3 1318 -25.828 -14.129 7.071 0.00 0.00 SOLV ATOM 9949 OH2 TIP3 1319 -1.053 -14.250 -40.914 0.00 0.00 SOLV ATOM 9950 H1 TIP3 1319 -0.627 -14.234 -40.042 0.00 0.00 SOLV ATOM 9951 H2 TIP3 1319 -1.226 -15.204 -41.023 0.00 0.00 SOLV ATOM 9952 OH2 TIP3 1320 12.542 -0.912 -5.212 0.00 0.00 SOLV ATOM 9953 H1 TIP3 1320 13.293 -0.469 -5.612 0.00 0.00 SOLV ATOM 9954 H2 TIP3 1320 12.844 -1.061 -4.243 0.00 0.00 SOLV ATOM 9955 OH2 TIP3 1321 -1.595 -15.825 -9.705 0.00 0.00 SOLV ATOM 9956 H1 TIP3 1321 -2.357 -15.490 -9.293 0.00 0.00 SOLV ATOM 9957 H2 TIP3 1321 -1.987 -16.615 -10.100 0.00 0.00 SOLV ATOM 9958 OH2 TIP3 1322 -23.599 -24.020 -18.597 0.00 0.00 SOLV ATOM 9959 H1 TIP3 1322 -22.645 -23.904 -18.763 0.00 0.00 SOLV ATOM 9960 H2 TIP3 1322 -24.031 -23.704 -19.409 0.00 0.00 SOLV ATOM 9961 OH2 TIP3 1323 -11.593 -18.473 -17.177 0.00 0.00 SOLV ATOM 9962 H1 TIP3 1323 -11.021 -19.154 -17.639 0.00 0.00 SOLV ATOM 9963 H2 TIP3 1323 -11.158 -17.642 -17.288 0.00 0.00 SOLV ATOM 9964 OH2 TIP3 1324 -7.114 -18.550 2.094 0.00 0.00 SOLV ATOM 9965 H1 TIP3 1324 -6.454 -18.779 1.380 0.00 0.00 SOLV ATOM 9966 H2 TIP3 1324 -7.938 -18.962 1.796 0.00 0.00 SOLV ATOM 9967 OH2 TIP3 1325 -14.579 -20.624 1.631 0.00 0.00 SOLV ATOM 9968 H1 TIP3 1325 -14.831 -21.533 1.497 0.00 0.00 SOLV ATOM 9969 H2 TIP3 1325 -13.629 -20.764 1.840 0.00 0.00 SOLV ATOM 9970 OH2 TIP3 1326 -21.865 -1.184 0.855 0.00 0.00 SOLV ATOM 9971 H1 TIP3 1326 -22.417 -1.639 1.475 0.00 0.00 SOLV ATOM 9972 H2 TIP3 1326 -22.266 -0.261 0.733 0.00 0.00 SOLV ATOM 9973 OH2 TIP3 1327 -7.228 -17.623 -1.204 0.00 0.00 SOLV ATOM 9974 H1 TIP3 1327 -7.503 -16.740 -1.444 0.00 0.00 SOLV ATOM 9975 H2 TIP3 1327 -6.421 -17.475 -0.742 0.00 0.00 SOLV ATOM 9976 OH2 TIP3 1328 -0.918 -18.216 -2.295 0.00 0.00 SOLV ATOM 9977 H1 TIP3 1328 -1.742 -17.824 -2.033 0.00 0.00 SOLV ATOM 9978 H2 TIP3 1328 -0.552 -18.545 -1.414 0.00 0.00 SOLV ATOM 9979 OH2 TIP3 1329 -2.653 -8.160 -44.987 0.00 0.00 SOLV ATOM 9980 H1 TIP3 1329 -2.644 -8.992 -44.444 0.00 0.00 SOLV ATOM 9981 H2 TIP3 1329 -2.535 -8.444 -45.922 0.00 0.00 SOLV ATOM 9982 OH2 TIP3 1330 1.334 -12.314 -43.187 0.00 0.00 SOLV ATOM 9983 H1 TIP3 1330 2.041 -11.787 -42.698 0.00 0.00 SOLV ATOM 9984 H2 TIP3 1330 1.639 -12.388 -44.119 0.00 0.00 SOLV ATOM 9985 OH2 TIP3 1331 -13.000 -7.123 -43.751 0.00 0.00 SOLV ATOM 9986 H1 TIP3 1331 -12.398 -6.919 -44.447 0.00 0.00 SOLV ATOM 9987 H2 TIP3 1331 -13.786 -7.445 -44.221 0.00 0.00 SOLV ATOM 9988 OH2 TIP3 1332 -8.050 -9.976 -41.862 0.00 0.00 SOLV ATOM 9989 H1 TIP3 1332 -8.159 -10.896 -41.603 0.00 0.00 SOLV ATOM 9990 H2 TIP3 1332 -8.233 -10.108 -42.826 0.00 0.00 SOLV ATOM 9991 OH2 TIP3 1333 -22.709 -14.027 -26.335 0.00 0.00 SOLV ATOM 9992 H1 TIP3 1333 -22.975 -14.753 -26.856 0.00 0.00 SOLV ATOM 9993 H2 TIP3 1333 -22.833 -13.297 -26.984 0.00 0.00 SOLV ATOM 9994 OH2 TIP3 1334 0.685 -9.687 -36.746 0.00 0.00 SOLV ATOM 9995 H1 TIP3 1334 1.098 -9.964 -35.986 0.00 0.00 SOLV ATOM 9996 H2 TIP3 1334 -0.139 -9.296 -36.376 0.00 0.00 SOLV ATOM 9997 OH2 TIP3 1335 0.813 -11.894 -32.235 0.00 0.00 SOLV ATOM 9998 H1 TIP3 1335 1.377 -12.290 -32.991 0.00 0.00 SOLV ATOM 9999 H2 TIP3 1335 0.573 -11.047 -32.629 0.00 0.00 SOLV ATOM 10000 OH2 TIP3 1336 -1.799 -16.268 -6.266 0.00 0.00 SOLV ATOM 10001 H1 TIP3 1336 -1.153 -16.186 -5.534 0.00 0.00 SOLV ATOM 10002 H2 TIP3 1336 -1.240 -16.479 -7.046 0.00 0.00 SOLV ATOM 10003 OH2 TIP3 1337 -17.495 0.857 -36.940 0.00 0.00 SOLV ATOM 10004 H1 TIP3 1337 -16.984 0.832 -36.150 0.00 0.00 SOLV ATOM 10005 H2 TIP3 1337 -16.862 0.759 -37.595 0.00 0.00 SOLV ATOM 10006 OH2 TIP3 1338 -10.075 -3.854 -24.818 0.00 0.00 SOLV ATOM 10007 H1 TIP3 1338 -9.638 -4.589 -25.285 0.00 0.00 SOLV ATOM 10008 H2 TIP3 1338 -9.442 -3.143 -25.026 0.00 0.00 SOLV ATOM 10009 OH2 TIP3 1339 -5.385 12.946 -28.833 0.00 0.00 SOLV ATOM 10010 H1 TIP3 1339 -5.938 12.728 -28.067 0.00 0.00 SOLV ATOM 10011 H2 TIP3 1339 -5.327 12.034 -29.387 0.00 0.00 SOLV ATOM 10012 OH2 TIP3 1340 -17.053 -7.224 5.410 0.00 0.00 SOLV ATOM 10013 H1 TIP3 1340 -16.761 -6.328 5.280 0.00 0.00 SOLV ATOM 10014 H2 TIP3 1340 -17.419 -7.185 6.377 0.00 0.00 SOLV ATOM 10015 OH2 TIP3 1341 -20.478 -11.702 -5.649 0.00 0.00 SOLV ATOM 10016 H1 TIP3 1341 -20.264 -11.179 -6.465 0.00 0.00 SOLV ATOM 10017 H2 TIP3 1341 -20.596 -12.615 -6.048 0.00 0.00 SOLV ATOM 10018 OH2 TIP3 1342 -5.693 -18.674 -16.382 0.00 0.00 SOLV ATOM 10019 H1 TIP3 1342 -4.884 -18.899 -16.023 0.00 0.00 SOLV ATOM 10020 H2 TIP3 1342 -5.679 -17.715 -16.246 0.00 0.00 SOLV ATOM 10021 OH2 TIP3 1343 6.273 -7.600 2.745 0.00 0.00 SOLV ATOM 10022 H1 TIP3 1343 6.534 -6.919 3.405 0.00 0.00 SOLV ATOM 10023 H2 TIP3 1343 6.400 -8.468 3.204 0.00 0.00 SOLV ATOM 10024 OH2 TIP3 1344 -6.035 -3.895 -41.795 0.00 0.00 SOLV ATOM 10025 H1 TIP3 1344 -6.398 -3.227 -41.224 0.00 0.00 SOLV ATOM 10026 H2 TIP3 1344 -5.301 -4.340 -41.262 0.00 0.00 SOLV ATOM 10027 OH2 TIP3 1345 -1.683 -11.605 -45.048 0.00 0.00 SOLV ATOM 10028 H1 TIP3 1345 -1.969 -11.240 -44.186 0.00 0.00 SOLV ATOM 10029 H2 TIP3 1345 -1.946 -10.873 -45.599 0.00 0.00 SOLV ATOM 10030 OH2 TIP3 1346 -15.225 0.413 -38.954 0.00 0.00 SOLV ATOM 10031 H1 TIP3 1346 -14.356 0.738 -39.385 0.00 0.00 SOLV ATOM 10032 H2 TIP3 1346 -15.890 1.046 -39.212 0.00 0.00 SOLV ATOM 10033 OH2 TIP3 1347 -1.664 -18.355 -17.373 0.00 0.00 SOLV ATOM 10034 H1 TIP3 1347 -1.761 -19.314 -17.604 0.00 0.00 SOLV ATOM 10035 H2 TIP3 1347 -2.419 -18.158 -16.881 0.00 0.00 SOLV ATOM 10036 OH2 TIP3 1348 -11.662 -1.292 -6.625 0.00 0.00 SOLV ATOM 10037 H1 TIP3 1348 -12.464 -1.279 -6.097 0.00 0.00 SOLV ATOM 10038 H2 TIP3 1348 -11.694 -2.205 -6.990 0.00 0.00 SOLV ATOM 10039 OH2 TIP3 1349 -14.531 -12.881 -19.260 0.00 0.00 SOLV ATOM 10040 H1 TIP3 1349 -14.637 -12.086 -18.616 0.00 0.00 SOLV ATOM 10041 H2 TIP3 1349 -13.554 -12.895 -19.392 0.00 0.00 SOLV ATOM 10042 OH2 TIP3 1350 -17.446 -22.803 -16.121 0.00 0.00 SOLV ATOM 10043 H1 TIP3 1350 -16.851 -23.188 -15.483 0.00 0.00 SOLV ATOM 10044 H2 TIP3 1350 -18.225 -22.738 -15.537 0.00 0.00 SOLV ATOM 10045 OH2 TIP3 1351 -16.918 -7.539 -13.059 0.00 0.00 SOLV ATOM 10046 H1 TIP3 1351 -16.251 -7.328 -12.397 0.00 0.00 SOLV ATOM 10047 H2 TIP3 1351 -16.351 -7.726 -13.825 0.00 0.00 SOLV ATOM 10048 OH2 TIP3 1352 12.131 8.885 10.175 0.00 0.00 SOLV ATOM 10049 H1 TIP3 1352 12.453 8.983 9.286 0.00 0.00 SOLV ATOM 10050 H2 TIP3 1352 12.295 9.802 10.525 0.00 0.00 SOLV ATOM 10051 OH2 TIP3 1353 -6.318 12.632 -46.070 0.00 0.00 SOLV ATOM 10052 H1 TIP3 1353 -7.257 12.643 -45.788 0.00 0.00 SOLV ATOM 10053 H2 TIP3 1353 -6.450 12.309 -47.000 0.00 0.00 SOLV ATOM 10054 OH2 TIP3 1354 -5.672 4.344 -43.684 0.00 0.00 SOLV ATOM 10055 H1 TIP3 1354 -6.361 4.879 -43.277 0.00 0.00 SOLV ATOM 10056 H2 TIP3 1354 -5.296 4.999 -44.350 0.00 0.00 SOLV ATOM 10057 OH2 TIP3 1355 -13.025 -3.443 -39.076 0.00 0.00 SOLV ATOM 10058 H1 TIP3 1355 -13.355 -3.575 -38.199 0.00 0.00 SOLV ATOM 10059 H2 TIP3 1355 -12.446 -2.668 -38.999 0.00 0.00 SOLV ATOM 10060 OH2 TIP3 1356 -3.631 -20.471 -20.054 0.00 0.00 SOLV ATOM 10061 H1 TIP3 1356 -3.605 -21.360 -20.359 0.00 0.00 SOLV ATOM 10062 H2 TIP3 1356 -2.928 -20.500 -19.356 0.00 0.00 SOLV ATOM 10063 OH2 TIP3 1357 -9.638 -5.064 -41.479 0.00 0.00 SOLV ATOM 10064 H1 TIP3 1357 -9.084 -4.724 -42.196 0.00 0.00 SOLV ATOM 10065 H2 TIP3 1357 -9.315 -5.966 -41.400 0.00 0.00 SOLV ATOM 10066 OH2 TIP3 1358 -8.026 -15.391 -5.672 0.00 0.00 SOLV ATOM 10067 H1 TIP3 1358 -7.599 -16.215 -6.023 0.00 0.00 SOLV ATOM 10068 H2 TIP3 1358 -7.205 -14.861 -5.513 0.00 0.00 SOLV ATOM 10069 OH2 TIP3 1359 -2.761 -23.928 -6.851 0.00 0.00 SOLV ATOM 10070 H1 TIP3 1359 -1.807 -23.938 -7.102 0.00 0.00 SOLV ATOM 10071 H2 TIP3 1359 -3.267 -24.547 -7.352 0.00 0.00 SOLV ATOM 10072 OH2 TIP3 1360 -16.684 2.145 -5.884 0.00 0.00 SOLV ATOM 10073 H1 TIP3 1360 -15.847 2.190 -6.261 0.00 0.00 SOLV ATOM 10074 H2 TIP3 1360 -16.611 1.553 -5.118 0.00 0.00 SOLV ATOM 10075 OH2 TIP3 1361 23.429 0.858 -14.535 0.00 0.00 SOLV ATOM 10076 H1 TIP3 1361 23.760 1.702 -14.391 0.00 0.00 SOLV ATOM 10077 H2 TIP3 1361 22.937 0.786 -13.699 0.00 0.00 SOLV ATOM 10078 OH2 TIP3 1362 16.671 13.178 18.905 0.00 0.00 SOLV ATOM 10079 H1 TIP3 1362 15.891 13.318 18.358 0.00 0.00 SOLV ATOM 10080 H2 TIP3 1362 16.440 12.493 19.535 0.00 0.00 SOLV ATOM 10081 OH2 TIP3 1363 -0.826 -6.123 11.301 0.00 0.00 SOLV ATOM 10082 H1 TIP3 1363 -1.442 -6.824 11.595 0.00 0.00 SOLV ATOM 10083 H2 TIP3 1363 -0.066 -6.371 11.869 0.00 0.00 SOLV ATOM 10084 OH2 TIP3 1364 -5.002 -15.188 -7.577 0.00 0.00 SOLV ATOM 10085 H1 TIP3 1364 -5.517 -15.277 -8.379 0.00 0.00 SOLV ATOM 10086 H2 TIP3 1364 -4.592 -16.080 -7.527 0.00 0.00 SOLV ATOM 10087 OH2 TIP3 1365 0.088 -8.423 -0.378 0.00 0.00 SOLV ATOM 10088 H1 TIP3 1365 0.672 -7.958 0.263 0.00 0.00 SOLV ATOM 10089 H2 TIP3 1365 0.700 -8.469 -1.159 0.00 0.00 SOLV ATOM 10090 OH2 TIP3 1366 -10.834 -8.750 -30.896 0.00 0.00 SOLV ATOM 10091 H1 TIP3 1366 -10.074 -9.392 -30.978 0.00 0.00 SOLV ATOM 10092 H2 TIP3 1366 -10.834 -8.321 -31.707 0.00 0.00 SOLV ATOM 10093 OH2 TIP3 1367 -14.842 26.345 -22.710 0.00 0.00 SOLV ATOM 10094 H1 TIP3 1367 -14.402 25.629 -22.462 0.00 0.00 SOLV ATOM 10095 H2 TIP3 1367 -14.515 27.000 -22.142 0.00 0.00 SOLV ATOM 10096 OH2 TIP3 1368 -15.039 -12.133 -9.402 0.00 0.00 SOLV ATOM 10097 H1 TIP3 1368 -15.494 -11.285 -9.544 0.00 0.00 SOLV ATOM 10098 H2 TIP3 1368 -15.156 -12.535 -10.278 0.00 0.00 SOLV ATOM 10099 OH2 TIP3 1369 -24.836 -5.360 -6.248 0.00 0.00 SOLV ATOM 10100 H1 TIP3 1369 -25.668 -4.999 -5.885 0.00 0.00 SOLV ATOM 10101 H2 TIP3 1369 -24.346 -4.533 -6.440 0.00 0.00 SOLV ATOM 10102 OH2 TIP3 1370 -0.704 15.478 -46.747 0.00 0.00 SOLV ATOM 10103 H1 TIP3 1370 -1.369 16.071 -47.173 0.00 0.00 SOLV ATOM 10104 H2 TIP3 1370 -0.101 15.287 -47.447 0.00 0.00 SOLV ATOM 10105 OH2 TIP3 1371 -8.728 -7.076 -48.124 0.00 0.00 SOLV ATOM 10106 H1 TIP3 1371 -8.373 -7.939 -48.039 0.00 0.00 SOLV ATOM 10107 H2 TIP3 1371 -7.922 -6.495 -48.046 0.00 0.00 SOLV ATOM 10108 OH2 TIP3 1372 -11.059 -10.012 -44.723 0.00 0.00 SOLV ATOM 10109 H1 TIP3 1372 -11.007 -9.050 -44.895 0.00 0.00 SOLV ATOM 10110 H2 TIP3 1372 -12.010 -10.135 -44.474 0.00 0.00 SOLV ATOM 10111 OH2 TIP3 1373 -22.658 6.434 -14.029 0.00 0.00 SOLV ATOM 10112 H1 TIP3 1373 -23.283 7.161 -14.093 0.00 0.00 SOLV ATOM 10113 H2 TIP3 1373 -23.131 5.722 -14.291 0.00 0.00 SOLV ATOM 10114 OH2 TIP3 1374 -4.188 25.062 -16.421 0.00 0.00 SOLV ATOM 10115 H1 TIP3 1374 -4.515 24.721 -17.232 0.00 0.00 SOLV ATOM 10116 H2 TIP3 1374 -3.395 25.494 -16.763 0.00 0.00 SOLV ATOM 10117 OH2 TIP3 1375 -24.082 -2.961 -31.697 0.00 0.00 SOLV ATOM 10118 H1 TIP3 1375 -24.366 -2.830 -30.785 0.00 0.00 SOLV ATOM 10119 H2 TIP3 1375 -23.767 -3.851 -31.755 0.00 0.00 SOLV ATOM 10120 OH2 TIP3 1376 -12.574 1.858 -17.941 0.00 0.00 SOLV ATOM 10121 H1 TIP3 1376 -12.250 2.574 -18.510 0.00 0.00 SOLV ATOM 10122 H2 TIP3 1376 -12.693 1.063 -18.517 0.00 0.00 SOLV ATOM 10123 OH2 TIP3 1377 -9.786 5.893 -36.816 0.00 0.00 SOLV ATOM 10124 H1 TIP3 1377 -9.139 5.215 -37.123 0.00 0.00 SOLV ATOM 10125 H2 TIP3 1377 -9.382 6.804 -37.103 0.00 0.00 SOLV ATOM 10126 OH2 TIP3 1378 4.605 -9.309 -35.968 0.00 0.00 SOLV ATOM 10127 H1 TIP3 1378 4.335 -10.087 -35.491 0.00 0.00 SOLV ATOM 10128 H2 TIP3 1378 5.552 -9.506 -36.092 0.00 0.00 SOLV ATOM 10129 OH2 TIP3 1379 -22.100 -1.223 -29.719 0.00 0.00 SOLV ATOM 10130 H1 TIP3 1379 -22.524 -2.082 -29.920 0.00 0.00 SOLV ATOM 10131 H2 TIP3 1379 -21.931 -1.278 -28.740 0.00 0.00 SOLV ATOM 10132 OH2 TIP3 1380 -13.974 10.216 -30.817 0.00 0.00 SOLV ATOM 10133 H1 TIP3 1380 -14.490 11.004 -30.931 0.00 0.00 SOLV ATOM 10134 H2 TIP3 1380 -13.567 10.244 -29.931 0.00 0.00 SOLV ATOM 10135 OH2 TIP3 1381 -26.545 2.775 -15.720 0.00 0.00 SOLV ATOM 10136 H1 TIP3 1381 -26.678 3.136 -16.660 0.00 0.00 SOLV ATOM 10137 H2 TIP3 1381 -27.178 3.298 -15.176 0.00 0.00 SOLV ATOM 10138 OH2 TIP3 1382 -8.007 -18.652 10.481 0.00 0.00 SOLV ATOM 10139 H1 TIP3 1382 -8.199 -19.591 10.603 0.00 0.00 SOLV ATOM 10140 H2 TIP3 1382 -8.443 -18.457 9.626 0.00 0.00 SOLV ATOM 10141 OH2 TIP3 1383 8.982 -7.421 -7.092 0.00 0.00 SOLV ATOM 10142 H1 TIP3 1383 8.456 -6.711 -7.535 0.00 0.00 SOLV ATOM 10143 H2 TIP3 1383 9.903 -7.008 -7.113 0.00 0.00 SOLV ATOM 10144 OH2 TIP3 1384 -18.203 8.730 -9.306 0.00 0.00 SOLV ATOM 10145 H1 TIP3 1384 -19.186 8.659 -9.101 0.00 0.00 SOLV ATOM 10146 H2 TIP3 1384 -18.158 8.573 -10.263 0.00 0.00 SOLV ATOM 10147 OH2 TIP3 1385 -11.062 12.704 -43.190 0.00 0.00 SOLV ATOM 10148 H1 TIP3 1385 -11.266 11.839 -42.783 0.00 0.00 SOLV ATOM 10149 H2 TIP3 1385 -10.385 13.088 -42.584 0.00 0.00 SOLV ATOM 10150 OH2 TIP3 1386 -8.598 3.206 -42.483 0.00 0.00 SOLV ATOM 10151 H1 TIP3 1386 -7.755 2.929 -42.836 0.00 0.00 SOLV ATOM 10152 H2 TIP3 1386 -9.019 3.560 -43.244 0.00 0.00 SOLV ATOM 10153 OH2 TIP3 1387 9.419 15.596 -37.909 0.00 0.00 SOLV ATOM 10154 H1 TIP3 1387 9.093 14.702 -37.684 0.00 0.00 SOLV ATOM 10155 H2 TIP3 1387 8.663 15.957 -38.464 0.00 0.00 SOLV ATOM 10156 OH2 TIP3 1388 -13.295 2.931 -4.409 0.00 0.00 SOLV ATOM 10157 H1 TIP3 1388 -13.654 3.793 -4.154 0.00 0.00 SOLV ATOM 10158 H2 TIP3 1388 -13.699 2.748 -5.215 0.00 0.00 SOLV ATOM 10159 OH2 TIP3 1389 -28.990 11.794 -15.788 0.00 0.00 SOLV ATOM 10160 H1 TIP3 1389 -29.696 12.099 -16.423 0.00 0.00 SOLV ATOM 10161 H2 TIP3 1389 -28.419 11.354 -16.488 0.00 0.00 SOLV ATOM 10162 OH2 TIP3 1390 -2.264 13.898 -41.454 0.00 0.00 SOLV ATOM 10163 H1 TIP3 1390 -2.160 14.800 -41.180 0.00 0.00 SOLV ATOM 10164 H2 TIP3 1390 -1.996 13.895 -42.442 0.00 0.00 SOLV ATOM 10165 OH2 TIP3 1391 -14.798 -8.530 -14.458 0.00 0.00 SOLV ATOM 10166 H1 TIP3 1391 -14.682 -9.431 -14.687 0.00 0.00 SOLV ATOM 10167 H2 TIP3 1391 -13.910 -8.315 -14.170 0.00 0.00 SOLV ATOM 10168 OH2 TIP3 1392 -13.739 -6.168 -35.600 0.00 0.00 SOLV ATOM 10169 H1 TIP3 1392 -13.118 -6.576 -36.285 0.00 0.00 SOLV ATOM 10170 H2 TIP3 1392 -14.316 -6.905 -35.366 0.00 0.00 SOLV ATOM 10171 OH2 TIP3 1393 -12.553 -3.422 -8.088 0.00 0.00 SOLV ATOM 10172 H1 TIP3 1393 -13.514 -3.465 -7.881 0.00 0.00 SOLV ATOM 10173 H2 TIP3 1393 -12.491 -3.811 -8.985 0.00 0.00 SOLV ATOM 10174 OH2 TIP3 1394 -4.724 14.621 -44.436 0.00 0.00 SOLV ATOM 10175 H1 TIP3 1394 -3.809 14.292 -44.557 0.00 0.00 SOLV ATOM 10176 H2 TIP3 1394 -5.311 14.126 -45.058 0.00 0.00 SOLV ATOM 10177 OH2 TIP3 1395 -10.868 11.808 -30.982 0.00 0.00 SOLV ATOM 10178 H1 TIP3 1395 -9.995 12.213 -30.804 0.00 0.00 SOLV ATOM 10179 H2 TIP3 1395 -10.657 10.905 -31.029 0.00 0.00 SOLV ATOM 10180 OH2 TIP3 1396 -2.738 9.243 -46.684 0.00 0.00 SOLV ATOM 10181 H1 TIP3 1396 -2.534 8.456 -46.193 0.00 0.00 SOLV ATOM 10182 H2 TIP3 1396 -3.451 9.682 -46.188 0.00 0.00 SOLV ATOM 10183 OH2 TIP3 1397 -7.815 15.996 -43.874 0.00 0.00 SOLV ATOM 10184 H1 TIP3 1397 -7.802 15.865 -44.845 0.00 0.00 SOLV ATOM 10185 H2 TIP3 1397 -7.294 15.254 -43.518 0.00 0.00 SOLV ATOM 10186 OH2 TIP3 1398 13.218 19.400 -19.859 0.00 0.00 SOLV ATOM 10187 H1 TIP3 1398 12.559 20.061 -19.667 0.00 0.00 SOLV ATOM 10188 H2 TIP3 1398 12.873 19.015 -20.679 0.00 0.00 SOLV ATOM 10189 OH2 TIP3 1399 0.970 13.066 -41.808 0.00 0.00 SOLV ATOM 10190 H1 TIP3 1399 1.667 12.842 -41.138 0.00 0.00 SOLV ATOM 10191 H2 TIP3 1399 0.933 13.966 -41.782 0.00 0.00 SOLV ATOM 10192 OH2 TIP3 1400 -9.431 6.912 -40.429 0.00 0.00 SOLV ATOM 10193 H1 TIP3 1400 -9.042 7.551 -41.067 0.00 0.00 SOLV ATOM 10194 H2 TIP3 1400 -9.460 7.385 -39.568 0.00 0.00 SOLV ATOM 10195 OH2 TIP3 1401 -17.880 16.221 -19.617 0.00 0.00 SOLV ATOM 10196 H1 TIP3 1401 -17.361 16.703 -20.246 0.00 0.00 SOLV ATOM 10197 H2 TIP3 1401 -17.309 15.430 -19.555 0.00 0.00 SOLV ATOM 10198 OH2 TIP3 1402 -19.709 11.417 -28.230 0.00 0.00 SOLV ATOM 10199 H1 TIP3 1402 -18.773 11.408 -28.546 0.00 0.00 SOLV ATOM 10200 H2 TIP3 1402 -20.201 11.632 -29.013 0.00 0.00 SOLV ATOM 10201 OH2 TIP3 1403 -7.263 -28.442 -15.582 0.00 0.00 SOLV ATOM 10202 H1 TIP3 1403 -7.125 -29.188 -16.203 0.00 0.00 SOLV ATOM 10203 H2 TIP3 1403 -7.386 -28.971 -14.777 0.00 0.00 SOLV ATOM 10204 OH2 TIP3 1404 -14.374 -31.199 6.786 0.00 0.00 SOLV ATOM 10205 H1 TIP3 1404 -13.736 -31.930 6.869 0.00 0.00 SOLV ATOM 10206 H2 TIP3 1404 -14.690 -31.020 7.680 0.00 0.00 SOLV ATOM 10207 OH2 TIP3 1405 11.175 12.427 -17.135 0.00 0.00 SOLV ATOM 10208 H1 TIP3 1405 10.481 11.951 -17.604 0.00 0.00 SOLV ATOM 10209 H2 TIP3 1405 11.439 11.821 -16.412 0.00 0.00 SOLV ATOM 10210 OH2 TIP3 1406 -12.979 6.679 -38.146 0.00 0.00 SOLV ATOM 10211 H1 TIP3 1406 -12.394 6.141 -37.765 0.00 0.00 SOLV ATOM 10212 H2 TIP3 1406 -12.765 7.505 -37.756 0.00 0.00 SOLV ATOM 10213 OH2 TIP3 1407 -14.092 -32.729 -19.212 0.00 0.00 SOLV ATOM 10214 H1 TIP3 1407 -13.439 -33.201 -18.650 0.00 0.00 SOLV ATOM 10215 H2 TIP3 1407 -13.884 -33.132 -20.090 0.00 0.00 SOLV ATOM 10216 OH2 TIP3 1408 -11.616 -32.491 3.538 0.00 0.00 SOLV ATOM 10217 H1 TIP3 1408 -12.587 -32.291 3.675 0.00 0.00 SOLV ATOM 10218 H2 TIP3 1408 -11.233 -32.640 4.397 0.00 0.00 SOLV ATOM 10219 OH2 TIP3 1409 -15.080 7.167 -29.611 0.00 0.00 SOLV ATOM 10220 H1 TIP3 1409 -14.362 6.742 -29.101 0.00 0.00 SOLV ATOM 10221 H2 TIP3 1409 -14.806 7.005 -30.555 0.00 0.00 SOLV ATOM 10222 OH2 TIP3 1410 -16.513 -31.641 -18.098 0.00 0.00 SOLV ATOM 10223 H1 TIP3 1410 -15.666 -31.969 -18.507 0.00 0.00 SOLV ATOM 10224 H2 TIP3 1410 -16.281 -30.757 -17.762 0.00 0.00 SOLV ATOM 10225 OH2 TIP3 1411 -1.905 14.259 -44.550 0.00 0.00 SOLV ATOM 10226 H1 TIP3 1411 -1.602 14.940 -45.159 0.00 0.00 SOLV ATOM 10227 H2 TIP3 1411 -1.352 13.516 -44.777 0.00 0.00 SOLV ATOM 10228 OH2 TIP3 1412 -5.216 -20.163 -26.674 0.00 0.00 SOLV ATOM 10229 H1 TIP3 1412 -5.120 -20.187 -25.670 0.00 0.00 SOLV ATOM 10230 H2 TIP3 1412 -4.288 -20.195 -26.922 0.00 0.00 SOLV ATOM 10231 OH2 TIP3 1413 -11.521 14.802 -35.071 0.00 0.00 SOLV ATOM 10232 H1 TIP3 1413 -10.931 15.539 -34.885 0.00 0.00 SOLV ATOM 10233 H2 TIP3 1413 -11.039 14.074 -34.697 0.00 0.00 SOLV ATOM 10234 OH2 TIP3 1414 -10.664 26.882 -19.458 0.00 0.00 SOLV ATOM 10235 H1 TIP3 1414 -10.301 26.204 -18.889 0.00 0.00 SOLV ATOM 10236 H2 TIP3 1414 -10.272 26.642 -20.268 0.00 0.00 SOLV ATOM 10237 OH2 TIP3 1415 -15.011 -29.002 -14.752 0.00 0.00 SOLV ATOM 10238 H1 TIP3 1415 -15.880 -29.485 -15.008 0.00 0.00 SOLV ATOM 10239 H2 TIP3 1415 -14.413 -29.690 -14.425 0.00 0.00 SOLV ATOM 10240 OH2 TIP3 1416 5.942 -29.563 1.416 0.00 0.00 SOLV ATOM 10241 H1 TIP3 1416 5.336 -30.177 1.884 0.00 0.00 SOLV ATOM 10242 H2 TIP3 1416 5.466 -29.472 0.548 0.00 0.00 SOLV ATOM 10243 OH2 TIP3 1417 9.905 -22.229 -35.086 0.00 0.00 SOLV ATOM 10244 H1 TIP3 1417 10.138 -21.393 -34.596 0.00 0.00 SOLV ATOM 10245 H2 TIP3 1417 10.311 -22.083 -35.908 0.00 0.00 SOLV ATOM 10246 OH2 TIP3 1418 -13.971 -36.371 4.633 0.00 0.00 SOLV ATOM 10247 H1 TIP3 1418 -13.241 -36.274 5.283 0.00 0.00 SOLV ATOM 10248 H2 TIP3 1418 -13.597 -36.052 3.803 0.00 0.00 SOLV ATOM 10249 OH2 TIP3 1419 -10.993 -24.100 -31.517 0.00 0.00 SOLV ATOM 10250 H1 TIP3 1419 -11.207 -23.634 -30.687 0.00 0.00 SOLV ATOM 10251 H2 TIP3 1419 -11.802 -23.910 -32.055 0.00 0.00 SOLV ATOM 10252 OH2 TIP3 1420 -9.209 -27.182 -6.479 0.00 0.00 SOLV ATOM 10253 H1 TIP3 1420 -10.071 -27.460 -6.764 0.00 0.00 SOLV ATOM 10254 H2 TIP3 1420 -9.324 -26.296 -6.138 0.00 0.00 SOLV ATOM 10255 OH2 TIP3 1421 -10.505 -30.217 5.695 0.00 0.00 SOLV ATOM 10256 H1 TIP3 1421 -10.052 -29.969 4.890 0.00 0.00 SOLV ATOM 10257 H2 TIP3 1421 -11.014 -29.447 5.920 0.00 0.00 SOLV ATOM 10258 OH2 TIP3 1422 6.697 -27.047 5.264 0.00 0.00 SOLV ATOM 10259 H1 TIP3 1422 7.277 -27.598 4.596 0.00 0.00 SOLV ATOM 10260 H2 TIP3 1422 6.149 -27.777 5.618 0.00 0.00 SOLV ATOM 10261 OH2 TIP3 1423 0.748 -10.996 -13.349 0.00 0.00 SOLV ATOM 10262 H1 TIP3 1423 0.442 -11.904 -13.492 0.00 0.00 SOLV ATOM 10263 H2 TIP3 1423 1.561 -11.157 -12.962 0.00 0.00 SOLV ATOM 10264 OH2 TIP3 1424 -11.037 -19.098 -20.850 0.00 0.00 SOLV ATOM 10265 H1 TIP3 1424 -10.492 -19.419 -20.035 0.00 0.00 SOLV ATOM 10266 H2 TIP3 1424 -11.405 -19.954 -21.197 0.00 0.00 SOLV ATOM 10267 OH2 TIP3 1425 -9.901 -21.810 -1.035 0.00 0.00 SOLV ATOM 10268 H1 TIP3 1425 -10.621 -22.411 -1.025 0.00 0.00 SOLV ATOM 10269 H2 TIP3 1425 -9.981 -21.522 -1.953 0.00 0.00 SOLV ATOM 10270 OH2 TIP3 1426 -10.211 -22.858 1.702 0.00 0.00 SOLV ATOM 10271 H1 TIP3 1426 -9.570 -22.773 1.008 0.00 0.00 SOLV ATOM 10272 H2 TIP3 1426 -10.703 -21.969 1.820 0.00 0.00 SOLV ATOM 10273 OH2 TIP3 1427 -14.374 -32.319 3.540 0.00 0.00 SOLV ATOM 10274 H1 TIP3 1427 -14.657 -31.391 3.892 0.00 0.00 SOLV ATOM 10275 H2 TIP3 1427 -14.708 -32.879 4.245 0.00 0.00 SOLV ATOM 10276 OH2 TIP3 1428 -12.749 -24.135 4.866 0.00 0.00 SOLV ATOM 10277 H1 TIP3 1428 -12.611 -23.816 5.800 0.00 0.00 SOLV ATOM 10278 H2 TIP3 1428 -12.250 -24.958 4.908 0.00 0.00 SOLV ATOM 10279 OH2 TIP3 1429 -7.011 -18.920 -35.777 0.00 0.00 SOLV ATOM 10280 H1 TIP3 1429 -7.680 -18.250 -35.566 0.00 0.00 SOLV ATOM 10281 H2 TIP3 1429 -7.192 -19.685 -35.215 0.00 0.00 SOLV ATOM 10282 OH2 TIP3 1430 -13.236 1.612 -30.481 0.00 0.00 SOLV ATOM 10283 H1 TIP3 1430 -13.408 2.540 -30.300 0.00 0.00 SOLV ATOM 10284 H2 TIP3 1430 -13.673 1.123 -29.779 0.00 0.00 SOLV ATOM 10285 OH2 TIP3 1431 1.150 -20.236 -14.208 0.00 0.00 SOLV ATOM 10286 H1 TIP3 1431 1.829 -20.757 -14.747 0.00 0.00 SOLV ATOM 10287 H2 TIP3 1431 1.416 -20.274 -13.335 0.00 0.00 SOLV ATOM 10288 OH2 TIP3 1432 -5.303 -27.788 -6.172 0.00 0.00 SOLV ATOM 10289 H1 TIP3 1432 -5.830 -27.735 -7.010 0.00 0.00 SOLV ATOM 10290 H2 TIP3 1432 -4.982 -28.712 -6.240 0.00 0.00 SOLV ATOM 10291 OH2 TIP3 1433 3.086 -20.533 -4.213 0.00 0.00 SOLV ATOM 10292 H1 TIP3 1433 2.932 -20.993 -5.094 0.00 0.00 SOLV ATOM 10293 H2 TIP3 1433 2.270 -20.134 -4.028 0.00 0.00 SOLV ATOM 10294 OH2 TIP3 1434 -6.346 -23.729 -7.771 0.00 0.00 SOLV ATOM 10295 H1 TIP3 1434 -5.905 -23.324 -7.010 0.00 0.00 SOLV ATOM 10296 H2 TIP3 1434 -7.265 -23.810 -7.420 0.00 0.00 SOLV ATOM 10297 OH2 TIP3 1435 0.410 -19.697 -4.466 0.00 0.00 SOLV ATOM 10298 H1 TIP3 1435 -0.445 -19.531 -4.958 0.00 0.00 SOLV ATOM 10299 H2 TIP3 1435 0.311 -19.120 -3.705 0.00 0.00 SOLV ATOM 10300 OH2 TIP3 1436 -2.353 -6.848 1.451 0.00 0.00 SOLV ATOM 10301 H1 TIP3 1436 -2.153 -7.160 2.349 0.00 0.00 SOLV ATOM 10302 H2 TIP3 1436 -1.890 -7.434 0.805 0.00 0.00 SOLV ATOM 10303 OH2 TIP3 1437 -18.704 -22.138 6.179 0.00 0.00 SOLV ATOM 10304 H1 TIP3 1437 -18.981 -21.879 7.102 0.00 0.00 SOLV ATOM 10305 H2 TIP3 1437 -18.879 -23.081 6.183 0.00 0.00 SOLV ATOM 10306 OH2 TIP3 1438 4.276 1.294 -37.926 0.00 0.00 SOLV ATOM 10307 H1 TIP3 1438 3.739 2.040 -38.128 0.00 0.00 SOLV ATOM 10308 H2 TIP3 1438 3.850 0.519 -38.311 0.00 0.00 SOLV ATOM 10309 OH2 TIP3 1439 2.389 -12.780 -29.140 0.00 0.00 SOLV ATOM 10310 H1 TIP3 1439 1.863 -12.216 -29.706 0.00 0.00 SOLV ATOM 10311 H2 TIP3 1439 2.674 -12.167 -28.442 0.00 0.00 SOLV ATOM 10312 OH2 TIP3 1440 -6.183 -20.961 -29.485 0.00 0.00 SOLV ATOM 10313 H1 TIP3 1440 -6.303 -20.032 -29.759 0.00 0.00 SOLV ATOM 10314 H2 TIP3 1440 -5.634 -20.891 -28.688 0.00 0.00 SOLV ATOM 10315 OH2 TIP3 1441 -8.547 -14.378 -8.620 0.00 0.00 SOLV ATOM 10316 H1 TIP3 1441 -8.032 -14.742 -9.359 0.00 0.00 SOLV ATOM 10317 H2 TIP3 1441 -8.468 -15.172 -8.033 0.00 0.00 SOLV ATOM 10318 OH2 TIP3 1442 -11.050 -23.029 -4.296 0.00 0.00 SOLV ATOM 10319 H1 TIP3 1442 -11.816 -22.735 -3.789 0.00 0.00 SOLV ATOM 10320 H2 TIP3 1442 -11.502 -23.218 -5.119 0.00 0.00 SOLV ATOM 10321 OH2 TIP3 1443 -12.224 -9.037 -20.545 0.00 0.00 SOLV ATOM 10322 H1 TIP3 1443 -12.625 -8.858 -19.687 0.00 0.00 SOLV ATOM 10323 H2 TIP3 1443 -11.356 -9.399 -20.283 0.00 0.00 SOLV ATOM 10324 OH2 TIP3 1444 10.250 -17.734 9.537 0.00 0.00 SOLV ATOM 10325 H1 TIP3 1444 10.346 -18.014 10.493 0.00 0.00 SOLV ATOM 10326 H2 TIP3 1444 10.630 -18.475 9.106 0.00 0.00 SOLV ATOM 10327 OH2 TIP3 1445 -7.104 -25.518 -11.926 0.00 0.00 SOLV ATOM 10328 H1 TIP3 1445 -6.347 -25.439 -11.321 0.00 0.00 SOLV ATOM 10329 H2 TIP3 1445 -6.535 -25.647 -12.759 0.00 0.00 SOLV ATOM 10330 OH2 TIP3 1446 6.087 -12.299 2.707 0.00 0.00 SOLV ATOM 10331 H1 TIP3 1446 5.546 -13.041 3.087 0.00 0.00 SOLV ATOM 10332 H2 TIP3 1446 5.698 -11.487 3.104 0.00 0.00 SOLV ATOM 10333 OH2 TIP3 1447 7.152 4.617 -17.084 0.00 0.00 SOLV ATOM 10334 H1 TIP3 1447 6.222 4.398 -16.982 0.00 0.00 SOLV ATOM 10335 H2 TIP3 1447 7.493 4.096 -16.278 0.00 0.00 SOLV ATOM 10336 OH2 TIP3 1448 -14.676 6.508 -18.477 0.00 0.00 SOLV ATOM 10337 H1 TIP3 1448 -14.292 6.133 -17.665 0.00 0.00 SOLV ATOM 10338 H2 TIP3 1448 -15.642 6.337 -18.457 0.00 0.00 SOLV ATOM 10339 OH2 TIP3 1449 9.359 -17.082 -1.705 0.00 0.00 SOLV ATOM 10340 H1 TIP3 1449 9.712 -16.688 -0.920 0.00 0.00 SOLV ATOM 10341 H2 TIP3 1449 10.119 -17.272 -2.273 0.00 0.00 SOLV ATOM 10342 OH2 TIP3 1450 -17.876 -27.593 5.838 0.00 0.00 SOLV ATOM 10343 H1 TIP3 1450 -17.713 -27.905 4.925 0.00 0.00 SOLV ATOM 10344 H2 TIP3 1450 -16.997 -27.349 6.074 0.00 0.00 SOLV ATOM 10345 OH2 TIP3 1451 -8.386 -36.031 6.450 0.00 0.00 SOLV ATOM 10346 H1 TIP3 1451 -7.924 -35.285 6.871 0.00 0.00 SOLV ATOM 10347 H2 TIP3 1451 -8.685 -36.551 7.232 0.00 0.00 SOLV ATOM 10348 OH2 TIP3 1452 11.438 -10.857 -33.154 0.00 0.00 SOLV ATOM 10349 H1 TIP3 1452 12.327 -11.001 -33.604 0.00 0.00 SOLV ATOM 10350 H2 TIP3 1452 10.829 -10.872 -33.907 0.00 0.00 SOLV ATOM 10351 OH2 TIP3 1453 4.395 -15.334 -42.045 0.00 0.00 SOLV ATOM 10352 H1 TIP3 1453 4.397 -14.401 -41.696 0.00 0.00 SOLV ATOM 10353 H2 TIP3 1453 4.891 -15.223 -42.935 0.00 0.00 SOLV ATOM 10354 OH2 TIP3 1454 -14.111 -20.010 -35.144 0.00 0.00 SOLV ATOM 10355 H1 TIP3 1454 -13.746 -19.243 -34.747 0.00 0.00 SOLV ATOM 10356 H2 TIP3 1454 -13.779 -20.682 -34.544 0.00 0.00 SOLV ATOM 10357 OH2 TIP3 1455 -1.773 -26.278 -20.687 0.00 0.00 SOLV ATOM 10358 H1 TIP3 1455 -2.280 -27.111 -20.365 0.00 0.00 SOLV ATOM 10359 H2 TIP3 1455 -2.069 -25.562 -20.060 0.00 0.00 SOLV ATOM 10360 OH2 TIP3 1456 -4.945 -25.888 -18.590 0.00 0.00 SOLV ATOM 10361 H1 TIP3 1456 -5.385 -25.720 -19.415 0.00 0.00 SOLV ATOM 10362 H2 TIP3 1456 -3.999 -25.627 -18.709 0.00 0.00 SOLV ATOM 10363 OH2 TIP3 1457 -4.949 -17.597 -41.424 0.00 0.00 SOLV ATOM 10364 H1 TIP3 1457 -4.727 -17.584 -42.349 0.00 0.00 SOLV ATOM 10365 H2 TIP3 1457 -4.905 -18.536 -41.224 0.00 0.00 SOLV ATOM 10366 OH2 TIP3 1458 2.062 -15.088 -27.253 0.00 0.00 SOLV ATOM 10367 H1 TIP3 1458 1.088 -15.079 -27.213 0.00 0.00 SOLV ATOM 10368 H2 TIP3 1458 2.287 -14.430 -27.898 0.00 0.00 SOLV ATOM 10369 OH2 TIP3 1459 18.007 -18.362 -17.404 0.00 0.00 SOLV ATOM 10370 H1 TIP3 1459 18.341 -19.043 -16.794 0.00 0.00 SOLV ATOM 10371 H2 TIP3 1459 18.692 -18.301 -18.140 0.00 0.00 SOLV ATOM 10372 OH2 TIP3 1460 -14.020 -28.729 -11.618 0.00 0.00 SOLV ATOM 10373 H1 TIP3 1460 -13.388 -29.323 -11.140 0.00 0.00 SOLV ATOM 10374 H2 TIP3 1460 -14.196 -29.246 -12.424 0.00 0.00 SOLV ATOM 10375 OH2 TIP3 1461 -15.425 -13.648 -11.476 0.00 0.00 SOLV ATOM 10376 H1 TIP3 1461 -15.231 -13.800 -12.414 0.00 0.00 SOLV ATOM 10377 H2 TIP3 1461 -16.034 -14.386 -11.308 0.00 0.00 SOLV ATOM 10378 OH2 TIP3 1462 -2.596 -25.088 -16.127 0.00 0.00 SOLV ATOM 10379 H1 TIP3 1462 -2.257 -25.558 -15.369 0.00 0.00 SOLV ATOM 10380 H2 TIP3 1462 -3.254 -24.459 -15.760 0.00 0.00 SOLV ATOM 10381 OH2 TIP3 1463 -5.321 -15.563 -0.058 0.00 0.00 SOLV ATOM 10382 H1 TIP3 1463 -4.866 -15.477 0.831 0.00 0.00 SOLV ATOM 10383 H2 TIP3 1463 -5.620 -14.678 -0.222 0.00 0.00 SOLV ATOM 10384 OH2 TIP3 1464 11.591 -19.902 -7.470 0.00 0.00 SOLV ATOM 10385 H1 TIP3 1464 11.585 -20.173 -8.401 0.00 0.00 SOLV ATOM 10386 H2 TIP3 1464 11.316 -18.959 -7.474 0.00 0.00 SOLV ATOM 10387 OH2 TIP3 1465 6.085 -6.235 -44.246 0.00 0.00 SOLV ATOM 10388 H1 TIP3 1465 5.295 -6.773 -43.935 0.00 0.00 SOLV ATOM 10389 H2 TIP3 1465 5.708 -5.383 -44.328 0.00 0.00 SOLV ATOM 10390 OH2 TIP3 1466 -7.022 -16.056 -32.019 0.00 0.00 SOLV ATOM 10391 H1 TIP3 1466 -7.796 -16.515 -32.377 0.00 0.00 SOLV ATOM 10392 H2 TIP3 1466 -6.263 -16.633 -32.280 0.00 0.00 SOLV ATOM 10393 OH2 TIP3 1467 0.026 -14.758 -38.427 0.00 0.00 SOLV ATOM 10394 H1 TIP3 1467 -0.225 -14.773 -37.516 0.00 0.00 SOLV ATOM 10395 H2 TIP3 1467 -0.475 -15.576 -38.726 0.00 0.00 SOLV ATOM 10396 OH2 TIP3 1468 -5.978 -13.801 -44.902 0.00 0.00 SOLV ATOM 10397 H1 TIP3 1468 -6.720 -14.432 -45.107 0.00 0.00 SOLV ATOM 10398 H2 TIP3 1468 -5.933 -13.718 -43.904 0.00 0.00 SOLV ATOM 10399 OH2 TIP3 1469 0.331 -7.357 -40.140 0.00 0.00 SOLV ATOM 10400 H1 TIP3 1469 -0.485 -7.307 -40.685 0.00 0.00 SOLV ATOM 10401 H2 TIP3 1469 0.853 -6.628 -40.517 0.00 0.00 SOLV ATOM 10402 OH2 TIP3 1470 8.645 -14.401 -20.965 0.00 0.00 SOLV ATOM 10403 H1 TIP3 1470 9.608 -14.207 -20.978 0.00 0.00 SOLV ATOM 10404 H2 TIP3 1470 8.571 -15.309 -20.589 0.00 0.00 SOLV ATOM 10405 OH2 TIP3 1471 -13.353 -3.310 -36.386 0.00 0.00 SOLV ATOM 10406 H1 TIP3 1471 -13.358 -4.204 -36.034 0.00 0.00 SOLV ATOM 10407 H2 TIP3 1471 -12.690 -2.857 -35.929 0.00 0.00 SOLV ATOM 10408 OH2 TIP3 1472 6.966 -13.089 -7.192 0.00 0.00 SOLV ATOM 10409 H1 TIP3 1472 7.534 -13.240 -7.935 0.00 0.00 SOLV ATOM 10410 H2 TIP3 1472 6.772 -12.140 -7.175 0.00 0.00 SOLV ATOM 10411 OH2 TIP3 1473 -5.588 -15.733 -16.400 0.00 0.00 SOLV ATOM 10412 H1 TIP3 1473 -5.795 -15.066 -15.777 0.00 0.00 SOLV ATOM 10413 H2 TIP3 1473 -5.009 -15.219 -17.063 0.00 0.00 SOLV ATOM 10414 OH2 TIP3 1474 -9.493 -20.051 -24.003 0.00 0.00 SOLV ATOM 10415 H1 TIP3 1474 -9.033 -20.481 -23.307 0.00 0.00 SOLV ATOM 10416 H2 TIP3 1474 -10.121 -19.463 -23.568 0.00 0.00 SOLV ATOM 10417 OH2 TIP3 1475 9.255 -17.853 -14.996 0.00 0.00 SOLV ATOM 10418 H1 TIP3 1475 8.680 -17.753 -15.780 0.00 0.00 SOLV ATOM 10419 H2 TIP3 1475 9.747 -18.635 -15.298 0.00 0.00 SOLV ATOM 10420 OH2 TIP3 1476 1.526 -14.696 -2.694 0.00 0.00 SOLV ATOM 10421 H1 TIP3 1476 1.155 -14.933 -1.878 0.00 0.00 SOLV ATOM 10422 H2 TIP3 1476 1.809 -13.833 -2.455 0.00 0.00 SOLV ATOM 10423 OH2 TIP3 1477 -14.051 -20.727 -0.961 0.00 0.00 SOLV ATOM 10424 H1 TIP3 1477 -13.529 -20.662 -0.075 0.00 0.00 SOLV ATOM 10425 H2 TIP3 1477 -14.520 -19.926 -1.067 0.00 0.00 SOLV ATOM 10426 OH2 TIP3 1478 -12.838 -14.742 2.805 0.00 0.00 SOLV ATOM 10427 H1 TIP3 1478 -13.192 -13.964 3.197 0.00 0.00 SOLV ATOM 10428 H2 TIP3 1478 -11.913 -14.534 2.598 0.00 0.00 SOLV ATOM 10429 OH2 TIP3 1479 -14.072 -1.332 -5.731 0.00 0.00 SOLV ATOM 10430 H1 TIP3 1479 -14.412 -0.988 -6.620 0.00 0.00 SOLV ATOM 10431 H2 TIP3 1479 -14.849 -1.198 -5.145 0.00 0.00 SOLV ATOM 10432 OH2 TIP3 1480 31.265 -0.965 -23.634 0.00 0.00 SOLV ATOM 10433 H1 TIP3 1480 30.661 -0.333 -24.115 0.00 0.00 SOLV ATOM 10434 H2 TIP3 1480 31.464 -0.590 -22.777 0.00 0.00 SOLV ATOM 10435 OH2 TIP3 1481 4.047 -19.790 -17.249 0.00 0.00 SOLV ATOM 10436 H1 TIP3 1481 3.120 -19.745 -17.249 0.00 0.00 SOLV ATOM 10437 H2 TIP3 1481 4.234 -19.897 -18.178 0.00 0.00 SOLV ATOM 10438 OH2 TIP3 1482 6.798 -8.377 -24.367 0.00 0.00 SOLV ATOM 10439 H1 TIP3 1482 6.409 -8.238 -25.208 0.00 0.00 SOLV ATOM 10440 H2 TIP3 1482 6.087 -8.221 -23.831 0.00 0.00 SOLV ATOM 10441 OH2 TIP3 1483 3.808 -21.413 7.301 0.00 0.00 SOLV ATOM 10442 H1 TIP3 1483 3.728 -20.535 6.962 0.00 0.00 SOLV ATOM 10443 H2 TIP3 1483 4.729 -21.716 7.082 0.00 0.00 SOLV ATOM 10444 OH2 TIP3 1484 -19.777 -6.463 -42.559 0.00 0.00 SOLV ATOM 10445 H1 TIP3 1484 -19.361 -7.114 -43.196 0.00 0.00 SOLV ATOM 10446 H2 TIP3 1484 -20.771 -6.543 -42.608 0.00 0.00 SOLV ATOM 10447 OH2 TIP3 1485 -15.680 -26.811 -22.704 0.00 0.00 SOLV ATOM 10448 H1 TIP3 1485 -16.490 -26.349 -22.946 0.00 0.00 SOLV ATOM 10449 H2 TIP3 1485 -15.008 -26.152 -22.914 0.00 0.00 SOLV ATOM 10450 OH2 TIP3 1486 -2.558 -18.711 7.533 0.00 0.00 SOLV ATOM 10451 H1 TIP3 1486 -2.015 -19.519 7.627 0.00 0.00 SOLV ATOM 10452 H2 TIP3 1486 -3.328 -19.073 7.063 0.00 0.00 SOLV ATOM 10453 OH2 TIP3 1487 1.419 -11.908 -8.865 0.00 0.00 SOLV ATOM 10454 H1 TIP3 1487 2.341 -11.778 -8.740 0.00 0.00 SOLV ATOM 10455 H2 TIP3 1487 1.238 -12.814 -8.476 0.00 0.00 SOLV ATOM 10456 OH2 TIP3 1488 -11.049 -2.535 -42.302 0.00 0.00 SOLV ATOM 10457 H1 TIP3 1488 -10.707 -3.397 -41.877 0.00 0.00 SOLV ATOM 10458 H2 TIP3 1488 -11.984 -2.621 -42.150 0.00 0.00 SOLV ATOM 10459 OH2 TIP3 1489 -7.312 -26.533 0.247 0.00 0.00 SOLV ATOM 10460 H1 TIP3 1489 -6.791 -25.934 0.830 0.00 0.00 SOLV ATOM 10461 H2 TIP3 1489 -6.772 -26.553 -0.546 0.00 0.00 SOLV ATOM 10462 OH2 TIP3 1490 -6.253 -13.909 -42.128 0.00 0.00 SOLV ATOM 10463 H1 TIP3 1490 -7.198 -13.629 -41.863 0.00 0.00 SOLV ATOM 10464 H2 TIP3 1490 -5.973 -14.471 -41.414 0.00 0.00 SOLV ATOM 10465 OH2 TIP3 1491 3.852 -4.718 0.032 0.00 0.00 SOLV ATOM 10466 H1 TIP3 1491 3.429 -5.364 0.638 0.00 0.00 SOLV ATOM 10467 H2 TIP3 1491 4.767 -4.498 0.350 0.00 0.00 SOLV ATOM 10468 OH2 TIP3 1492 -0.554 -0.760 -47.921 0.00 0.00 SOLV ATOM 10469 H1 TIP3 1492 -0.164 -1.030 -48.793 0.00 0.00 SOLV ATOM 10470 H2 TIP3 1492 0.123 -0.163 -47.576 0.00 0.00 SOLV ATOM 10471 OH2 TIP3 1493 -14.743 -5.906 -41.884 0.00 0.00 SOLV ATOM 10472 H1 TIP3 1493 -13.955 -5.861 -42.451 0.00 0.00 SOLV ATOM 10473 H2 TIP3 1493 -15.315 -6.717 -42.227 0.00 0.00 SOLV ATOM 10474 OH2 TIP3 1494 -18.719 14.621 -16.464 0.00 0.00 SOLV ATOM 10475 H1 TIP3 1494 -18.365 13.849 -16.048 0.00 0.00 SOLV ATOM 10476 H2 TIP3 1494 -18.914 15.257 -15.741 0.00 0.00 SOLV ATOM 10477 OH2 TIP3 1495 6.171 -19.407 -28.358 0.00 0.00 SOLV ATOM 10478 H1 TIP3 1495 7.000 -18.924 -28.294 0.00 0.00 SOLV ATOM 10479 H2 TIP3 1495 5.442 -18.939 -27.833 0.00 0.00 SOLV ATOM 10480 OH2 TIP3 1496 -9.267 -12.637 -11.752 0.00 0.00 SOLV ATOM 10481 H1 TIP3 1496 -9.307 -13.532 -12.135 0.00 0.00 SOLV ATOM 10482 H2 TIP3 1496 -8.407 -12.296 -11.854 0.00 0.00 SOLV ATOM 10483 OH2 TIP3 1497 4.300 -18.606 -12.020 0.00 0.00 SOLV ATOM 10484 H1 TIP3 1497 4.486 -18.520 -13.029 0.00 0.00 SOLV ATOM 10485 H2 TIP3 1497 5.204 -18.573 -11.584 0.00 0.00 SOLV ATOM 10486 OH2 TIP3 1498 -2.805 -15.063 -35.021 0.00 0.00 SOLV ATOM 10487 H1 TIP3 1498 -1.943 -15.479 -35.240 0.00 0.00 SOLV ATOM 10488 H2 TIP3 1498 -2.605 -14.113 -34.942 0.00 0.00 SOLV ATOM 10489 OH2 TIP3 1499 1.563 -15.872 -13.082 0.00 0.00 SOLV ATOM 10490 H1 TIP3 1499 1.267 -16.592 -12.490 0.00 0.00 SOLV ATOM 10491 H2 TIP3 1499 2.417 -15.551 -12.724 0.00 0.00 SOLV ATOM 10492 OH2 TIP3 1500 -4.084 -17.694 -7.629 0.00 0.00 SOLV ATOM 10493 H1 TIP3 1500 -4.629 -18.488 -7.473 0.00 0.00 SOLV ATOM 10494 H2 TIP3 1500 -3.259 -18.103 -7.998 0.00 0.00 SOLV ATOM 10495 OH2 TIP3 1501 -25.405 10.198 22.135 0.00 0.00 SOLV ATOM 10496 H1 TIP3 1501 -24.425 10.055 22.013 0.00 0.00 SOLV ATOM 10497 H2 TIP3 1501 -25.469 11.186 22.222 0.00 0.00 SOLV ATOM 10498 OH2 TIP3 1502 -5.552 -23.662 4.988 0.00 0.00 SOLV ATOM 10499 H1 TIP3 1502 -4.919 -22.952 4.790 0.00 0.00 SOLV ATOM 10500 H2 TIP3 1502 -6.370 -23.389 4.510 0.00 0.00 SOLV ATOM 10501 OH2 TIP3 1503 -2.631 -15.590 -30.487 0.00 0.00 SOLV ATOM 10502 H1 TIP3 1503 -1.808 -15.698 -31.046 0.00 0.00 SOLV ATOM 10503 H2 TIP3 1503 -2.586 -14.695 -30.082 0.00 0.00 SOLV ATOM 10504 OH2 TIP3 1504 -16.872 2.580 -39.587 0.00 0.00 SOLV ATOM 10505 H1 TIP3 1504 -16.588 3.529 -39.507 0.00 0.00 SOLV ATOM 10506 H2 TIP3 1504 -17.803 2.755 -39.746 0.00 0.00 SOLV ATOM 10507 OH2 TIP3 1505 3.064 -0.697 -51.172 0.00 0.00 SOLV ATOM 10508 H1 TIP3 1505 3.795 -0.935 -50.581 0.00 0.00 SOLV ATOM 10509 H2 TIP3 1505 3.419 0.175 -51.503 0.00 0.00 SOLV ATOM 10510 OH2 TIP3 1506 -5.762 -0.640 -39.143 0.00 0.00 SOLV ATOM 10511 H1 TIP3 1506 -6.053 0.176 -38.818 0.00 0.00 SOLV ATOM 10512 H2 TIP3 1506 -6.441 -0.928 -39.721 0.00 0.00 SOLV ATOM 10513 OH2 TIP3 1507 -10.018 1.745 -38.897 0.00 0.00 SOLV ATOM 10514 H1 TIP3 1507 -10.214 1.336 -39.769 0.00 0.00 SOLV ATOM 10515 H2 TIP3 1507 -9.066 1.848 -38.845 0.00 0.00 SOLV ATOM 10516 OH2 TIP3 1508 6.630 -13.625 -26.842 0.00 0.00 SOLV ATOM 10517 H1 TIP3 1508 6.158 -14.482 -26.641 0.00 0.00 SOLV ATOM 10518 H2 TIP3 1508 6.044 -13.265 -27.553 0.00 0.00 SOLV ATOM 10519 OH2 TIP3 1509 -0.232 -15.964 -4.251 0.00 0.00 SOLV ATOM 10520 H1 TIP3 1509 -0.455 -16.780 -3.754 0.00 0.00 SOLV ATOM 10521 H2 TIP3 1509 0.241 -15.361 -3.667 0.00 0.00 SOLV ATOM 10522 OH2 TIP3 1510 5.693 -15.243 1.923 0.00 0.00 SOLV ATOM 10523 H1 TIP3 1510 6.189 -15.282 2.784 0.00 0.00 SOLV ATOM 10524 H2 TIP3 1510 6.261 -14.901 1.165 0.00 0.00 SOLV ATOM 10525 OH2 TIP3 1511 2.912 0.732 -9.447 0.00 0.00 SOLV ATOM 10526 H1 TIP3 1511 3.767 0.793 -9.941 0.00 0.00 SOLV ATOM 10527 H2 TIP3 1511 3.028 -0.134 -9.087 0.00 0.00 SOLV ATOM 10528 OH2 TIP3 1512 5.038 -12.555 -37.358 0.00 0.00 SOLV ATOM 10529 H1 TIP3 1512 4.262 -12.553 -37.964 0.00 0.00 SOLV ATOM 10530 H2 TIP3 1512 4.676 -12.119 -36.616 0.00 0.00 SOLV ATOM 10531 OH2 TIP3 1513 -9.859 -0.305 -43.862 0.00 0.00 SOLV ATOM 10532 H1 TIP3 1513 -10.284 -1.074 -43.394 0.00 0.00 SOLV ATOM 10533 H2 TIP3 1513 -9.203 0.012 -43.232 0.00 0.00 SOLV ATOM 10534 OH2 TIP3 1514 -0.926 26.039 -15.301 0.00 0.00 SOLV ATOM 10535 H1 TIP3 1514 -1.049 26.498 -16.139 0.00 0.00 SOLV ATOM 10536 H2 TIP3 1514 -1.852 26.006 -14.880 0.00 0.00 SOLV ATOM 10537 OH2 TIP3 1515 -12.480 8.004 -40.502 0.00 0.00 SOLV ATOM 10538 H1 TIP3 1515 -12.271 7.158 -40.041 0.00 0.00 SOLV ATOM 10539 H2 TIP3 1515 -12.607 8.590 -39.789 0.00 0.00 SOLV ATOM 10540 OH2 TIP3 1516 -21.561 1.628 -3.354 0.00 0.00 SOLV ATOM 10541 H1 TIP3 1516 -22.326 1.993 -3.700 0.00 0.00 SOLV ATOM 10542 H2 TIP3 1516 -21.863 0.702 -3.161 0.00 0.00 SOLV ATOM 10543 OH2 TIP3 1517 -8.063 -9.781 -47.628 0.00 0.00 SOLV ATOM 10544 H1 TIP3 1517 -8.097 -10.757 -47.731 0.00 0.00 SOLV ATOM 10545 H2 TIP3 1517 -7.393 -9.620 -46.943 0.00 0.00 SOLV ATOM 10546 OH2 TIP3 1518 -0.622 15.109 15.137 0.00 0.00 SOLV ATOM 10547 H1 TIP3 1518 -0.104 15.881 15.386 0.00 0.00 SOLV ATOM 10548 H2 TIP3 1518 -0.189 14.390 15.564 0.00 0.00 SOLV ATOM 10549 OH2 TIP3 1519 5.378 -17.086 6.126 0.00 0.00 SOLV ATOM 10550 H1 TIP3 1519 5.943 -17.788 6.494 0.00 0.00 SOLV ATOM 10551 H2 TIP3 1519 4.524 -17.466 6.295 0.00 0.00 SOLV ATOM 10552 OH2 TIP3 1520 -7.164 -12.016 -8.593 0.00 0.00 SOLV ATOM 10553 H1 TIP3 1520 -7.073 -12.088 -9.549 0.00 0.00 SOLV ATOM 10554 H2 TIP3 1520 -7.751 -12.715 -8.404 0.00 0.00 SOLV ATOM 10555 OH2 TIP3 1521 -20.152 2.808 -32.622 0.00 0.00 SOLV ATOM 10556 H1 TIP3 1521 -19.669 3.587 -33.067 0.00 0.00 SOLV ATOM 10557 H2 TIP3 1521 -20.605 3.174 -31.881 0.00 0.00 SOLV ATOM 10558 OH2 TIP3 1522 0.761 1.862 -40.821 0.00 0.00 SOLV ATOM 10559 H1 TIP3 1522 1.247 2.506 -41.348 0.00 0.00 SOLV ATOM 10560 H2 TIP3 1522 0.254 2.399 -40.226 0.00 0.00 SOLV ATOM 10561 OH2 TIP3 1523 -18.495 -2.890 -37.412 0.00 0.00 SOLV ATOM 10562 H1 TIP3 1523 -18.897 -2.160 -36.938 0.00 0.00 SOLV ATOM 10563 H2 TIP3 1523 -17.585 -2.580 -37.526 0.00 0.00 SOLV ATOM 10564 OH2 TIP3 1524 8.327 -12.140 -24.875 0.00 0.00 SOLV ATOM 10565 H1 TIP3 1524 8.608 -12.629 -24.099 0.00 0.00 SOLV ATOM 10566 H2 TIP3 1524 7.636 -12.640 -25.294 0.00 0.00 SOLV ATOM 10567 OH2 TIP3 1525 -13.402 -6.073 -12.541 0.00 0.00 SOLV ATOM 10568 H1 TIP3 1525 -12.458 -6.117 -12.896 0.00 0.00 SOLV ATOM 10569 H2 TIP3 1525 -13.526 -6.758 -11.852 0.00 0.00 SOLV ATOM 10570 OH2 TIP3 1526 8.231 8.122 -20.179 0.00 0.00 SOLV ATOM 10571 H1 TIP3 1526 8.615 7.543 -19.506 0.00 0.00 SOLV ATOM 10572 H2 TIP3 1526 8.700 7.760 -21.025 0.00 0.00 SOLV ATOM 10573 OH2 TIP3 1527 -14.426 -5.073 -26.265 0.00 0.00 SOLV ATOM 10574 H1 TIP3 1527 -14.704 -5.352 -27.150 0.00 0.00 SOLV ATOM 10575 H2 TIP3 1527 -14.592 -5.857 -25.741 0.00 0.00 SOLV ATOM 10576 OH2 TIP3 1528 -20.651 3.392 1.627 0.00 0.00 SOLV ATOM 10577 H1 TIP3 1528 -20.247 2.558 1.643 0.00 0.00 SOLV ATOM 10578 H2 TIP3 1528 -20.555 3.630 0.692 0.00 0.00 SOLV ATOM 10579 OH2 TIP3 1529 -20.920 -4.507 -5.531 0.00 0.00 SOLV ATOM 10580 H1 TIP3 1529 -20.943 -5.372 -5.885 0.00 0.00 SOLV ATOM 10581 H2 TIP3 1529 -21.730 -4.131 -5.854 0.00 0.00 SOLV ATOM 10582 OH2 TIP3 1530 -0.765 2.199 -48.128 0.00 0.00 SOLV ATOM 10583 H1 TIP3 1530 -0.578 1.774 -49.020 0.00 0.00 SOLV ATOM 10584 H2 TIP3 1530 -1.755 2.152 -48.047 0.00 0.00 SOLV ATOM 10585 OH2 TIP3 1531 8.924 -13.288 11.348 0.00 0.00 SOLV ATOM 10586 H1 TIP3 1531 9.866 -13.394 11.542 0.00 0.00 SOLV ATOM 10587 H2 TIP3 1531 8.727 -14.091 10.821 0.00 0.00 SOLV ATOM 10588 OH2 TIP3 1532 -14.786 8.342 -32.470 0.00 0.00 SOLV ATOM 10589 H1 TIP3 1532 -14.749 8.726 -33.344 0.00 0.00 SOLV ATOM 10590 H2 TIP3 1532 -14.415 9.069 -31.928 0.00 0.00 SOLV ATOM 10591 OH2 TIP3 1533 3.289 4.686 -36.013 0.00 0.00 SOLV ATOM 10592 H1 TIP3 1533 2.520 4.071 -36.012 0.00 0.00 SOLV ATOM 10593 H2 TIP3 1533 3.736 4.428 -35.197 0.00 0.00 SOLV ATOM 10594 OH2 TIP3 1534 -6.736 -23.506 -30.519 0.00 0.00 SOLV ATOM 10595 H1 TIP3 1534 -6.684 -22.624 -30.166 0.00 0.00 SOLV ATOM 10596 H2 TIP3 1534 -5.822 -23.794 -30.678 0.00 0.00 SOLV ATOM 10597 OH2 TIP3 1535 -11.233 -14.957 -21.747 0.00 0.00 SOLV ATOM 10598 H1 TIP3 1535 -10.924 -14.716 -22.581 0.00 0.00 SOLV ATOM 10599 H2 TIP3 1535 -11.768 -14.129 -21.555 0.00 0.00 SOLV ATOM 10600 OH2 TIP3 1536 -22.326 13.130 -3.498 0.00 0.00 SOLV ATOM 10601 H1 TIP3 1536 -21.487 13.284 -3.018 0.00 0.00 SOLV ATOM 10602 H2 TIP3 1536 -22.925 13.004 -2.741 0.00 0.00 SOLV ATOM 10603 OH2 TIP3 1537 -21.281 3.129 -24.671 0.00 0.00 SOLV ATOM 10604 H1 TIP3 1537 -21.601 4.046 -24.659 0.00 0.00 SOLV ATOM 10605 H2 TIP3 1537 -21.040 3.014 -25.561 0.00 0.00 SOLV ATOM 10606 OH2 TIP3 1538 -4.305 16.612 -29.856 0.00 0.00 SOLV ATOM 10607 H1 TIP3 1538 -3.574 16.099 -29.400 0.00 0.00 SOLV ATOM 10608 H2 TIP3 1538 -4.615 15.981 -30.485 0.00 0.00 SOLV ATOM 10609 OH2 TIP3 1539 4.800 18.690 7.018 0.00 0.00 SOLV ATOM 10610 H1 TIP3 1539 5.375 19.451 7.210 0.00 0.00 SOLV ATOM 10611 H2 TIP3 1539 4.045 18.868 7.541 0.00 0.00 SOLV ATOM 10612 OH2 TIP3 1540 -6.094 4.360 -39.835 0.00 0.00 SOLV ATOM 10613 H1 TIP3 1540 -5.120 4.461 -39.969 0.00 0.00 SOLV ATOM 10614 H2 TIP3 1540 -6.460 4.991 -40.539 0.00 0.00 SOLV ATOM 10615 OH2 TIP3 1541 -12.879 13.558 -30.838 0.00 0.00 SOLV ATOM 10616 H1 TIP3 1541 -12.225 12.867 -30.948 0.00 0.00 SOLV ATOM 10617 H2 TIP3 1541 -12.696 14.041 -30.030 0.00 0.00 SOLV ATOM 10618 OH2 TIP3 1542 9.270 17.116 -2.423 0.00 0.00 SOLV ATOM 10619 H1 TIP3 1542 9.432 18.069 -2.757 0.00 0.00 SOLV ATOM 10620 H2 TIP3 1542 10.163 16.759 -2.311 0.00 0.00 SOLV ATOM 10621 OH2 TIP3 1543 9.890 0.189 -41.414 0.00 0.00 SOLV ATOM 10622 H1 TIP3 1543 10.459 0.612 -42.070 0.00 0.00 SOLV ATOM 10623 H2 TIP3 1543 10.539 -0.421 -41.000 0.00 0.00 SOLV ATOM 10624 OH2 TIP3 1544 -19.936 7.192 -13.639 0.00 0.00 SOLV ATOM 10625 H1 TIP3 1544 -20.936 7.062 -13.804 0.00 0.00 SOLV ATOM 10626 H2 TIP3 1544 -19.462 6.953 -14.470 0.00 0.00 SOLV ATOM 10627 OH2 TIP3 1545 -4.352 -0.034 -16.867 0.00 0.00 SOLV ATOM 10628 H1 TIP3 1545 -5.104 0.528 -16.590 0.00 0.00 SOLV ATOM 10629 H2 TIP3 1545 -4.764 -0.906 -16.659 0.00 0.00 SOLV ATOM 10630 OH2 TIP3 1546 -12.794 5.674 -28.397 0.00 0.00 SOLV ATOM 10631 H1 TIP3 1546 -13.138 4.965 -27.835 0.00 0.00 SOLV ATOM 10632 H2 TIP3 1546 -12.793 5.325 -29.324 0.00 0.00 SOLV ATOM 10633 OH2 TIP3 1547 1.855 5.058 -1.143 0.00 0.00 SOLV ATOM 10634 H1 TIP3 1547 1.465 4.273 -1.689 0.00 0.00 SOLV ATOM 10635 H2 TIP3 1547 1.139 5.767 -1.211 0.00 0.00 SOLV ATOM 10636 OH2 TIP3 1548 12.287 17.098 -7.318 0.00 0.00 SOLV ATOM 10637 H1 TIP3 1548 12.249 17.986 -7.612 0.00 0.00 SOLV ATOM 10638 H2 TIP3 1548 12.882 17.264 -6.552 0.00 0.00 SOLV ATOM 10639 OH2 TIP3 1549 -6.290 14.023 -42.102 0.00 0.00 SOLV ATOM 10640 H1 TIP3 1549 -5.601 14.372 -42.697 0.00 0.00 SOLV ATOM 10641 H2 TIP3 1549 -5.797 13.608 -41.380 0.00 0.00 SOLV ATOM 10642 OH2 TIP3 1550 -10.345 -1.680 -38.762 0.00 0.00 SOLV ATOM 10643 H1 TIP3 1550 -10.348 -0.801 -38.339 0.00 0.00 SOLV ATOM 10644 H2 TIP3 1550 -10.081 -2.308 -38.066 0.00 0.00 SOLV ATOM 10645 OH2 TIP3 1551 -7.312 14.701 -38.845 0.00 0.00 SOLV ATOM 10646 H1 TIP3 1551 -6.459 14.914 -38.571 0.00 0.00 SOLV ATOM 10647 H2 TIP3 1551 -7.303 13.679 -38.924 0.00 0.00 SOLV ATOM 10648 OH2 TIP3 1552 -15.008 -14.393 -16.714 0.00 0.00 SOLV ATOM 10649 H1 TIP3 1552 -14.169 -14.609 -17.163 0.00 0.00 SOLV ATOM 10650 H2 TIP3 1552 -15.409 -13.875 -17.382 0.00 0.00 SOLV ATOM 10651 OH2 TIP3 1553 -17.545 6.150 -18.613 0.00 0.00 SOLV ATOM 10652 H1 TIP3 1553 -18.264 6.443 -19.172 0.00 0.00 SOLV ATOM 10653 H2 TIP3 1553 -17.784 5.225 -18.481 0.00 0.00 SOLV ATOM 10654 OH2 TIP3 1554 5.576 5.019 -43.610 0.00 0.00 SOLV ATOM 10655 H1 TIP3 1554 5.073 4.703 -42.840 0.00 0.00 SOLV ATOM 10656 H2 TIP3 1554 6.383 4.452 -43.656 0.00 0.00 SOLV ATOM 10657 OH2 TIP3 1555 -15.133 5.890 -25.498 0.00 0.00 SOLV ATOM 10658 H1 TIP3 1555 -14.237 5.568 -25.602 0.00 0.00 SOLV ATOM 10659 H2 TIP3 1555 -15.512 5.683 -26.355 0.00 0.00 SOLV ATOM 10660 OH2 TIP3 1556 -9.548 -9.003 -39.714 0.00 0.00 SOLV ATOM 10661 H1 TIP3 1556 -9.205 -9.461 -40.500 0.00 0.00 SOLV ATOM 10662 H2 TIP3 1556 -10.159 -8.319 -40.127 0.00 0.00 SOLV ATOM 10663 OH2 TIP3 1557 12.069 7.114 -4.936 0.00 0.00 SOLV ATOM 10664 H1 TIP3 1557 11.674 7.959 -4.728 0.00 0.00 SOLV ATOM 10665 H2 TIP3 1557 11.731 6.915 -5.796 0.00 0.00 SOLV ATOM 10666 OH2 TIP3 1558 8.927 11.997 -20.466 0.00 0.00 SOLV ATOM 10667 H1 TIP3 1558 8.774 11.668 -19.574 0.00 0.00 SOLV ATOM 10668 H2 TIP3 1558 8.722 12.975 -20.406 0.00 0.00 SOLV ATOM 10669 OH2 TIP3 1559 -12.893 4.592 -30.975 0.00 0.00 SOLV ATOM 10670 H1 TIP3 1559 -13.690 4.305 -31.378 0.00 0.00 SOLV ATOM 10671 H2 TIP3 1559 -12.244 4.361 -31.718 0.00 0.00 SOLV ATOM 10672 OH2 TIP3 1560 4.086 -6.068 -2.692 0.00 0.00 SOLV ATOM 10673 H1 TIP3 1560 4.183 -5.595 -1.838 0.00 0.00 SOLV ATOM 10674 H2 TIP3 1560 3.375 -5.510 -3.064 0.00 0.00 SOLV ATOM 10675 OH2 TIP3 1561 -15.959 3.009 -26.284 0.00 0.00 SOLV ATOM 10676 H1 TIP3 1561 -16.926 3.274 -26.417 0.00 0.00 SOLV ATOM 10677 H2 TIP3 1561 -15.737 3.263 -25.420 0.00 0.00 SOLV ATOM 10678 OH2 TIP3 1562 -8.553 10.286 -35.186 0.00 0.00 SOLV ATOM 10679 H1 TIP3 1562 -8.110 10.637 -34.411 0.00 0.00 SOLV ATOM 10680 H2 TIP3 1562 -8.745 11.105 -35.687 0.00 0.00 SOLV ATOM 10681 OH2 TIP3 1563 -2.654 0.637 -34.760 0.00 0.00 SOLV ATOM 10682 H1 TIP3 1563 -3.382 0.283 -34.216 0.00 0.00 SOLV ATOM 10683 H2 TIP3 1563 -2.510 -0.038 -35.470 0.00 0.00 SOLV ATOM 10684 OH2 TIP3 1564 26.405 7.403 -38.708 0.00 0.00 SOLV ATOM 10685 H1 TIP3 1564 26.005 6.986 -39.500 0.00 0.00 SOLV ATOM 10686 H2 TIP3 1564 26.618 6.592 -38.188 0.00 0.00 SOLV ATOM 10687 OH2 TIP3 1565 -15.437 14.215 -31.242 0.00 0.00 SOLV ATOM 10688 H1 TIP3 1565 -15.797 13.360 -30.917 0.00 0.00 SOLV ATOM 10689 H2 TIP3 1565 -14.502 14.022 -31.021 0.00 0.00 SOLV ATOM 10690 OH2 TIP3 1566 -4.721 13.277 -36.024 0.00 0.00 SOLV ATOM 10691 H1 TIP3 1566 -4.183 13.784 -35.480 0.00 0.00 SOLV ATOM 10692 H2 TIP3 1566 -4.561 13.659 -36.890 0.00 0.00 SOLV ATOM 10693 OH2 TIP3 1567 -6.713 14.661 -30.547 0.00 0.00 SOLV ATOM 10694 H1 TIP3 1567 -7.638 14.567 -30.138 0.00 0.00 SOLV ATOM 10695 H2 TIP3 1567 -6.168 14.192 -29.957 0.00 0.00 SOLV ATOM 10696 OH2 TIP3 1568 -3.242 14.927 -34.664 0.00 0.00 SOLV ATOM 10697 H1 TIP3 1568 -2.819 15.613 -35.250 0.00 0.00 SOLV ATOM 10698 H2 TIP3 1568 -3.874 15.463 -34.083 0.00 0.00 SOLV ATOM 10699 OH2 TIP3 1569 14.924 -7.361 -8.239 0.00 0.00 SOLV ATOM 10700 H1 TIP3 1569 14.866 -6.470 -7.799 0.00 0.00 SOLV ATOM 10701 H2 TIP3 1569 15.220 -7.191 -9.113 0.00 0.00 SOLV ATOM 10702 OH2 TIP3 1570 -17.607 -29.067 3.349 0.00 0.00 SOLV ATOM 10703 H1 TIP3 1570 -16.630 -29.060 3.296 0.00 0.00 SOLV ATOM 10704 H2 TIP3 1570 -17.981 -28.987 2.444 0.00 0.00 SOLV ATOM 10705 OH2 TIP3 1571 3.117 14.322 -45.928 0.00 0.00 SOLV ATOM 10706 H1 TIP3 1571 2.385 14.798 -45.512 0.00 0.00 SOLV ATOM 10707 H2 TIP3 1571 3.501 14.922 -46.627 0.00 0.00 SOLV ATOM 10708 OH2 TIP3 1572 7.651 13.525 -42.108 0.00 0.00 SOLV ATOM 10709 H1 TIP3 1572 8.407 12.938 -42.082 0.00 0.00 SOLV ATOM 10710 H2 TIP3 1572 8.046 14.452 -42.159 0.00 0.00 SOLV ATOM 10711 OH2 TIP3 1573 -16.789 -9.276 -0.784 0.00 0.00 SOLV ATOM 10712 H1 TIP3 1573 -16.082 -9.403 -1.449 0.00 0.00 SOLV ATOM 10713 H2 TIP3 1573 -17.056 -10.198 -0.659 0.00 0.00 SOLV ATOM 10714 OH2 TIP3 1574 -12.285 11.908 -36.726 0.00 0.00 SOLV ATOM 10715 H1 TIP3 1574 -11.323 12.074 -36.753 0.00 0.00 SOLV ATOM 10716 H2 TIP3 1574 -12.359 11.388 -35.879 0.00 0.00 SOLV ATOM 10717 OH2 TIP3 1575 -3.181 21.652 -23.937 0.00 0.00 SOLV ATOM 10718 H1 TIP3 1575 -2.749 21.793 -24.828 0.00 0.00 SOLV ATOM 10719 H2 TIP3 1575 -3.907 21.018 -24.092 0.00 0.00 SOLV ATOM 10720 OH2 TIP3 1576 -16.308 3.998 -21.835 0.00 0.00 SOLV ATOM 10721 H1 TIP3 1576 -17.269 4.079 -22.029 0.00 0.00 SOLV ATOM 10722 H2 TIP3 1576 -15.846 4.249 -22.675 0.00 0.00 SOLV ATOM 10723 OH2 TIP3 1577 5.473 11.312 -0.240 0.00 0.00 SOLV ATOM 10724 H1 TIP3 1577 4.837 11.820 0.308 0.00 0.00 SOLV ATOM 10725 H2 TIP3 1577 6.176 11.080 0.436 0.00 0.00 SOLV ATOM 10726 OH2 TIP3 1578 -11.063 -7.173 -33.175 0.00 0.00 SOLV ATOM 10727 H1 TIP3 1578 -10.353 -7.066 -33.837 0.00 0.00 SOLV ATOM 10728 H2 TIP3 1578 -11.658 -7.764 -33.624 0.00 0.00 SOLV ATOM 10729 OH2 TIP3 1579 1.777 12.235 -46.956 0.00 0.00 SOLV ATOM 10730 H1 TIP3 1579 2.297 12.978 -46.591 0.00 0.00 SOLV ATOM 10731 H2 TIP3 1579 2.466 11.599 -47.246 0.00 0.00 SOLV ATOM 10732 OH2 TIP3 1580 -6.826 8.035 -35.316 0.00 0.00 SOLV ATOM 10733 H1 TIP3 1580 -6.712 8.042 -34.372 0.00 0.00 SOLV ATOM 10734 H2 TIP3 1580 -7.439 8.777 -35.451 0.00 0.00 SOLV ATOM 10735 OH2 TIP3 1581 -3.391 10.663 -42.881 0.00 0.00 SOLV ATOM 10736 H1 TIP3 1581 -2.460 10.794 -42.891 0.00 0.00 SOLV ATOM 10737 H2 TIP3 1581 -3.609 10.436 -43.764 0.00 0.00 SOLV ATOM 10738 OH2 TIP3 1582 26.729 15.270 -27.527 0.00 0.00 SOLV ATOM 10739 H1 TIP3 1582 27.193 14.775 -26.878 0.00 0.00 SOLV ATOM 10740 H2 TIP3 1582 26.602 14.599 -28.215 0.00 0.00 SOLV ATOM 10741 OH2 TIP3 1583 1.274 11.050 -23.575 0.00 0.00 SOLV ATOM 10742 H1 TIP3 1583 1.463 10.519 -22.801 0.00 0.00 SOLV ATOM 10743 H2 TIP3 1583 2.086 10.980 -24.102 0.00 0.00 SOLV ATOM 10744 OH2 TIP3 1584 -5.154 15.628 -32.889 0.00 0.00 SOLV ATOM 10745 H1 TIP3 1584 -5.670 15.156 -32.185 0.00 0.00 SOLV ATOM 10746 H2 TIP3 1584 -5.722 16.295 -33.156 0.00 0.00 SOLV ATOM 10747 OH2 TIP3 1585 -6.398 -28.703 -20.152 0.00 0.00 SOLV ATOM 10748 H1 TIP3 1585 -6.960 -29.269 -20.710 0.00 0.00 SOLV ATOM 10749 H2 TIP3 1585 -5.781 -29.394 -19.731 0.00 0.00 SOLV ATOM 10750 OH2 TIP3 1586 -9.441 -32.162 -16.390 0.00 0.00 SOLV ATOM 10751 H1 TIP3 1586 -9.305 -31.599 -15.643 0.00 0.00 SOLV ATOM 10752 H2 TIP3 1586 -9.634 -33.023 -15.966 0.00 0.00 SOLV ATOM 10753 OH2 TIP3 1587 4.285 22.049 -12.703 0.00 0.00 SOLV ATOM 10754 H1 TIP3 1587 5.168 21.947 -12.321 0.00 0.00 SOLV ATOM 10755 H2 TIP3 1587 3.691 21.610 -12.048 0.00 0.00 SOLV ATOM 10756 OH2 TIP3 1588 0.629 -26.919 -16.954 0.00 0.00 SOLV ATOM 10757 H1 TIP3 1588 1.244 -27.063 -16.191 0.00 0.00 SOLV ATOM 10758 H2 TIP3 1588 1.032 -26.232 -17.521 0.00 0.00 SOLV ATOM 10759 OH2 TIP3 1589 -12.626 -33.095 -14.671 0.00 0.00 SOLV ATOM 10760 H1 TIP3 1589 -12.296 -33.354 -15.517 0.00 0.00 SOLV ATOM 10761 H2 TIP3 1589 -13.541 -33.153 -14.933 0.00 0.00 SOLV ATOM 10762 OH2 TIP3 1590 -14.255 -30.416 16.734 0.00 0.00 SOLV ATOM 10763 H1 TIP3 1590 -13.775 -30.541 15.901 0.00 0.00 SOLV ATOM 10764 H2 TIP3 1590 -14.880 -31.156 16.739 0.00 0.00 SOLV ATOM 10765 OH2 TIP3 1591 5.471 -20.260 -36.979 0.00 0.00 SOLV ATOM 10766 H1 TIP3 1591 6.086 -20.982 -36.690 0.00 0.00 SOLV ATOM 10767 H2 TIP3 1591 4.740 -20.483 -36.498 0.00 0.00 SOLV ATOM 10768 OH2 TIP3 1592 -9.056 -26.555 -30.824 0.00 0.00 SOLV ATOM 10769 H1 TIP3 1592 -9.262 -25.617 -30.995 0.00 0.00 SOLV ATOM 10770 H2 TIP3 1592 -9.434 -27.062 -31.565 0.00 0.00 SOLV ATOM 10771 OH2 TIP3 1593 -19.648 8.915 -4.666 0.00 0.00 SOLV ATOM 10772 H1 TIP3 1593 -19.895 9.483 -5.349 0.00 0.00 SOLV ATOM 10773 H2 TIP3 1593 -20.393 8.920 -4.058 0.00 0.00 SOLV ATOM 10774 OH2 TIP3 1594 -2.297 -23.413 -27.337 0.00 0.00 SOLV ATOM 10775 H1 TIP3 1594 -2.157 -22.638 -26.664 0.00 0.00 SOLV ATOM 10776 H2 TIP3 1594 -1.902 -24.231 -26.930 0.00 0.00 SOLV ATOM 10777 OH2 TIP3 1595 -13.566 -23.988 -25.424 0.00 0.00 SOLV ATOM 10778 H1 TIP3 1595 -13.844 -23.518 -24.611 0.00 0.00 SOLV ATOM 10779 H2 TIP3 1595 -13.059 -23.295 -25.909 0.00 0.00 SOLV ATOM 10780 OH2 TIP3 1596 -4.217 -23.419 -29.353 0.00 0.00 SOLV ATOM 10781 H1 TIP3 1596 -3.846 -22.882 -30.058 0.00 0.00 SOLV ATOM 10782 H2 TIP3 1596 -3.549 -23.274 -28.649 0.00 0.00 SOLV ATOM 10783 OH2 TIP3 1597 2.034 -24.424 11.549 0.00 0.00 SOLV ATOM 10784 H1 TIP3 1597 1.997 -24.731 12.443 0.00 0.00 SOLV ATOM 10785 H2 TIP3 1597 2.585 -25.137 11.088 0.00 0.00 SOLV ATOM 10786 OH2 TIP3 1598 6.071 -25.037 0.998 0.00 0.00 SOLV ATOM 10787 H1 TIP3 1598 5.938 -25.570 1.815 0.00 0.00 SOLV ATOM 10788 H2 TIP3 1598 5.219 -25.058 0.652 0.00 0.00 SOLV ATOM 10789 OH2 TIP3 1599 13.399 -12.960 -4.771 0.00 0.00 SOLV ATOM 10790 H1 TIP3 1599 14.149 -12.738 -4.153 0.00 0.00 SOLV ATOM 10791 H2 TIP3 1599 13.200 -12.086 -5.184 0.00 0.00 SOLV ATOM 10792 OH2 TIP3 1600 -3.585 -22.605 -2.515 0.00 0.00 SOLV ATOM 10793 H1 TIP3 1600 -3.096 -22.433 -3.264 0.00 0.00 SOLV ATOM 10794 H2 TIP3 1600 -2.981 -22.526 -1.747 0.00 0.00 SOLV ATOM 10795 OH2 TIP3 1601 -6.545 -28.268 -27.379 0.00 0.00 SOLV ATOM 10796 H1 TIP3 1601 -6.246 -28.927 -26.743 0.00 0.00 SOLV ATOM 10797 H2 TIP3 1601 -6.514 -28.797 -28.253 0.00 0.00 SOLV ATOM 10798 OH2 TIP3 1602 15.762 -18.123 -25.707 0.00 0.00 SOLV ATOM 10799 H1 TIP3 1602 16.192 -17.342 -25.316 0.00 0.00 SOLV ATOM 10800 H2 TIP3 1602 16.495 -18.833 -25.726 0.00 0.00 SOLV ATOM 10801 OH2 TIP3 1603 0.652 -27.579 -20.718 0.00 0.00 SOLV ATOM 10802 H1 TIP3 1603 0.307 -28.371 -20.233 0.00 0.00 SOLV ATOM 10803 H2 TIP3 1603 -0.177 -26.985 -20.677 0.00 0.00 SOLV ATOM 10804 OH2 TIP3 1604 2.998 -26.050 -21.192 0.00 0.00 SOLV ATOM 10805 H1 TIP3 1604 2.331 -26.665 -21.151 0.00 0.00 SOLV ATOM 10806 H2 TIP3 1604 3.719 -26.624 -21.502 0.00 0.00 SOLV ATOM 10807 OH2 TIP3 1605 -11.275 -27.541 -13.145 0.00 0.00 SOLV ATOM 10808 H1 TIP3 1605 -11.660 -26.645 -13.152 0.00 0.00 SOLV ATOM 10809 H2 TIP3 1605 -10.517 -27.417 -12.554 0.00 0.00 SOLV ATOM 10810 OH2 TIP3 1606 -11.993 -24.744 -21.353 0.00 0.00 SOLV ATOM 10811 H1 TIP3 1606 -12.124 -25.441 -20.629 0.00 0.00 SOLV ATOM 10812 H2 TIP3 1606 -11.139 -24.350 -21.065 0.00 0.00 SOLV ATOM 10813 OH2 TIP3 1607 -23.087 2.830 -0.413 0.00 0.00 SOLV ATOM 10814 H1 TIP3 1607 -23.325 1.943 -0.141 0.00 0.00 SOLV ATOM 10815 H2 TIP3 1607 -22.147 2.827 -0.605 0.00 0.00 SOLV ATOM 10816 OH2 TIP3 1608 -0.584 -23.162 -11.587 0.00 0.00 SOLV ATOM 10817 H1 TIP3 1608 0.036 -22.370 -11.543 0.00 0.00 SOLV ATOM 10818 H2 TIP3 1608 -0.643 -23.301 -12.599 0.00 0.00 SOLV ATOM 10819 OH2 TIP3 1609 1.544 -18.372 0.073 0.00 0.00 SOLV ATOM 10820 H1 TIP3 1609 2.439 -18.087 -0.282 0.00 0.00 SOLV ATOM 10821 H2 TIP3 1609 1.702 -19.263 0.570 0.00 0.00 SOLV ATOM 10822 OH2 TIP3 1610 1.844 -19.756 -31.087 0.00 0.00 SOLV ATOM 10823 H1 TIP3 1610 2.184 -20.584 -31.327 0.00 0.00 SOLV ATOM 10824 H2 TIP3 1610 1.894 -19.283 -31.964 0.00 0.00 SOLV ATOM 10825 OH2 TIP3 1611 4.637 -15.543 -26.695 0.00 0.00 SOLV ATOM 10826 H1 TIP3 1611 4.375 -15.622 -25.743 0.00 0.00 SOLV ATOM 10827 H2 TIP3 1611 3.721 -15.495 -27.129 0.00 0.00 SOLV ATOM 10828 OH2 TIP3 1612 -3.907 -17.552 -34.295 0.00 0.00 SOLV ATOM 10829 H1 TIP3 1612 -3.157 -17.526 -33.706 0.00 0.00 SOLV ATOM 10830 H2 TIP3 1612 -3.884 -16.712 -34.770 0.00 0.00 SOLV ATOM 10831 OH2 TIP3 1613 -15.523 -27.940 -25.490 0.00 0.00 SOLV ATOM 10832 H1 TIP3 1613 -15.420 -28.112 -24.553 0.00 0.00 SOLV ATOM 10833 H2 TIP3 1613 -15.603 -27.010 -25.646 0.00 0.00 SOLV ATOM 10834 OH2 TIP3 1614 -19.228 -28.279 -24.704 0.00 0.00 SOLV ATOM 10835 H1 TIP3 1614 -20.143 -28.128 -24.707 0.00 0.00 SOLV ATOM 10836 H2 TIP3 1614 -18.889 -27.437 -25.097 0.00 0.00 SOLV ATOM 10837 OH2 TIP3 1615 -10.850 -31.350 -23.889 0.00 0.00 SOLV ATOM 10838 H1 TIP3 1615 -10.502 -31.236 -23.031 0.00 0.00 SOLV ATOM 10839 H2 TIP3 1615 -11.557 -30.642 -23.903 0.00 0.00 SOLV ATOM 10840 OH2 TIP3 1616 1.044 -25.349 0.641 0.00 0.00 SOLV ATOM 10841 H1 TIP3 1616 0.432 -25.128 -0.031 0.00 0.00 SOLV ATOM 10842 H2 TIP3 1616 0.920 -26.276 0.792 0.00 0.00 SOLV ATOM 10843 OH2 TIP3 1617 -6.633 -18.837 -3.647 0.00 0.00 SOLV ATOM 10844 H1 TIP3 1617 -6.740 -18.276 -2.838 0.00 0.00 SOLV ATOM 10845 H2 TIP3 1617 -7.405 -19.426 -3.564 0.00 0.00 SOLV ATOM 10846 OH2 TIP3 1618 3.137 -10.288 -42.041 0.00 0.00 SOLV ATOM 10847 H1 TIP3 1618 3.583 -10.172 -42.895 0.00 0.00 SOLV ATOM 10848 H2 TIP3 1618 3.301 -9.409 -41.577 0.00 0.00 SOLV ATOM 10849 OH2 TIP3 1619 -9.118 -18.044 -32.835 0.00 0.00 SOLV ATOM 10850 H1 TIP3 1619 -9.999 -17.954 -32.535 0.00 0.00 SOLV ATOM 10851 H2 TIP3 1619 -9.224 -18.715 -33.545 0.00 0.00 SOLV ATOM 10852 OH2 TIP3 1620 -7.653 -22.958 -25.830 0.00 0.00 SOLV ATOM 10853 H1 TIP3 1620 -7.890 -22.197 -26.391 0.00 0.00 SOLV ATOM 10854 H2 TIP3 1620 -8.405 -23.498 -25.872 0.00 0.00 SOLV ATOM 10855 OH2 TIP3 1621 -4.823 -24.664 -13.973 0.00 0.00 SOLV ATOM 10856 H1 TIP3 1621 -5.624 -24.738 -14.511 0.00 0.00 SOLV ATOM 10857 H2 TIP3 1621 -4.729 -25.611 -13.763 0.00 0.00 SOLV ATOM 10858 OH2 TIP3 1622 -5.899 -25.474 -1.931 0.00 0.00 SOLV ATOM 10859 H1 TIP3 1622 -5.871 -24.495 -2.145 0.00 0.00 SOLV ATOM 10860 H2 TIP3 1622 -5.978 -25.816 -2.835 0.00 0.00 SOLV ATOM 10861 OH2 TIP3 1623 3.609 -13.413 0.844 0.00 0.00 SOLV ATOM 10862 H1 TIP3 1623 3.138 -13.262 1.662 0.00 0.00 SOLV ATOM 10863 H2 TIP3 1623 4.367 -13.942 1.163 0.00 0.00 SOLV ATOM 10864 OH2 TIP3 1624 2.491 -26.402 -9.392 0.00 0.00 SOLV ATOM 10865 H1 TIP3 1624 3.323 -25.784 -9.494 0.00 0.00 SOLV ATOM 10866 H2 TIP3 1624 1.764 -25.786 -9.588 0.00 0.00 SOLV ATOM 10867 OH2 TIP3 1625 -0.617 -21.791 -32.805 0.00 0.00 SOLV ATOM 10868 H1 TIP3 1625 0.015 -22.449 -33.063 0.00 0.00 SOLV ATOM 10869 H2 TIP3 1625 -0.630 -21.220 -33.568 0.00 0.00 SOLV ATOM 10870 OH2 TIP3 1626 0.365 -10.768 1.266 0.00 0.00 SOLV ATOM 10871 H1 TIP3 1626 0.452 -10.249 0.449 0.00 0.00 SOLV ATOM 10872 H2 TIP3 1626 0.867 -10.366 1.973 0.00 0.00 SOLV ATOM 10873 OH2 TIP3 1627 6.858 -15.541 4.214 0.00 0.00 SOLV ATOM 10874 H1 TIP3 1627 7.470 -14.885 4.519 0.00 0.00 SOLV ATOM 10875 H2 TIP3 1627 6.503 -15.849 5.058 0.00 0.00 SOLV ATOM 10876 OH2 TIP3 1628 4.891 -30.662 3.815 0.00 0.00 SOLV ATOM 10877 H1 TIP3 1628 5.442 -30.347 4.565 0.00 0.00 SOLV ATOM 10878 H2 TIP3 1628 4.106 -31.091 4.278 0.00 0.00 SOLV ATOM 10879 OH2 TIP3 1629 -8.619 -19.719 -41.169 0.00 0.00 SOLV ATOM 10880 H1 TIP3 1629 -9.483 -20.197 -41.188 0.00 0.00 SOLV ATOM 10881 H2 TIP3 1629 -8.290 -19.846 -42.038 0.00 0.00 SOLV ATOM 10882 OH2 TIP3 1630 22.327 -8.651 -37.463 0.00 0.00 SOLV ATOM 10883 H1 TIP3 1630 23.181 -8.748 -37.104 0.00 0.00 SOLV ATOM 10884 H2 TIP3 1630 21.765 -9.153 -36.821 0.00 0.00 SOLV ATOM 10885 OH2 TIP3 1631 0.530 -6.634 -46.962 0.00 0.00 SOLV ATOM 10886 H1 TIP3 1631 0.102 -5.903 -46.388 0.00 0.00 SOLV ATOM 10887 H2 TIP3 1631 -0.239 -7.022 -47.373 0.00 0.00 SOLV ATOM 10888 OH2 TIP3 1632 -0.762 -4.491 -45.637 0.00 0.00 SOLV ATOM 10889 H1 TIP3 1632 -0.975 -4.138 -46.572 0.00 0.00 SOLV ATOM 10890 H2 TIP3 1632 -0.208 -3.754 -45.253 0.00 0.00 SOLV ATOM 10891 OH2 TIP3 1633 5.068 -21.083 -20.669 0.00 0.00 SOLV ATOM 10892 H1 TIP3 1633 4.509 -20.521 -21.226 0.00 0.00 SOLV ATOM 10893 H2 TIP3 1633 4.880 -22.003 -20.933 0.00 0.00 SOLV ATOM 10894 OH2 TIP3 1634 -6.050 -25.206 -26.574 0.00 0.00 SOLV ATOM 10895 H1 TIP3 1634 -6.202 -24.235 -26.499 0.00 0.00 SOLV ATOM 10896 H2 TIP3 1634 -6.601 -25.587 -25.960 0.00 0.00 SOLV ATOM 10897 OH2 TIP3 1635 6.370 -29.827 6.076 0.00 0.00 SOLV ATOM 10898 H1 TIP3 1635 7.129 -30.374 6.198 0.00 0.00 SOLV ATOM 10899 H2 TIP3 1635 5.794 -30.144 6.812 0.00 0.00 SOLV ATOM 10900 OH2 TIP3 1636 -3.762 -20.422 -10.018 0.00 0.00 SOLV ATOM 10901 H1 TIP3 1636 -4.664 -20.244 -10.293 0.00 0.00 SOLV ATOM 10902 H2 TIP3 1636 -3.904 -21.084 -9.336 0.00 0.00 SOLV ATOM 10903 OH2 TIP3 1637 -7.445 -22.820 0.509 0.00 0.00 SOLV ATOM 10904 H1 TIP3 1637 -7.555 -22.150 -0.203 0.00 0.00 SOLV ATOM 10905 H2 TIP3 1637 -7.374 -23.682 0.000 0.00 0.00 SOLV ATOM 10906 OH2 TIP3 1638 1.468 -19.063 -16.748 0.00 0.00 SOLV ATOM 10907 H1 TIP3 1638 0.868 -18.848 -17.450 0.00 0.00 SOLV ATOM 10908 H2 TIP3 1638 0.853 -19.307 -16.012 0.00 0.00 SOLV ATOM 10909 OH2 TIP3 1639 1.544 -22.074 3.411 0.00 0.00 SOLV ATOM 10910 H1 TIP3 1639 2.242 -22.631 3.847 0.00 0.00 SOLV ATOM 10911 H2 TIP3 1639 1.786 -21.191 3.768 0.00 0.00 SOLV ATOM 10912 OH2 TIP3 1640 16.734 -10.931 -9.688 0.00 0.00 SOLV ATOM 10913 H1 TIP3 1640 17.007 -10.078 -10.089 0.00 0.00 SOLV ATOM 10914 H2 TIP3 1640 17.525 -11.295 -9.287 0.00 0.00 SOLV ATOM 10915 OH2 TIP3 1641 12.454 -2.874 5.611 0.00 0.00 SOLV ATOM 10916 H1 TIP3 1641 12.183 -1.962 5.613 0.00 0.00 SOLV ATOM 10917 H2 TIP3 1641 11.655 -3.336 5.844 0.00 0.00 SOLV ATOM 10918 OH2 TIP3 1642 4.882 -20.953 -30.184 0.00 0.00 SOLV ATOM 10919 H1 TIP3 1642 4.520 -21.603 -29.566 0.00 0.00 SOLV ATOM 10920 H2 TIP3 1642 5.422 -20.359 -29.584 0.00 0.00 SOLV ATOM 10921 OH2 TIP3 1643 -13.300 -14.648 -9.037 0.00 0.00 SOLV ATOM 10922 H1 TIP3 1643 -13.876 -15.186 -9.652 0.00 0.00 SOLV ATOM 10923 H2 TIP3 1643 -13.594 -13.745 -9.261 0.00 0.00 SOLV ATOM 10924 OH2 TIP3 1644 -4.959 -14.039 -12.473 0.00 0.00 SOLV ATOM 10925 H1 TIP3 1644 -5.592 -14.285 -13.237 0.00 0.00 SOLV ATOM 10926 H2 TIP3 1644 -5.412 -14.408 -11.742 0.00 0.00 SOLV ATOM 10927 OH2 TIP3 1645 4.088 -15.398 -12.136 0.00 0.00 SOLV ATOM 10928 H1 TIP3 1645 4.652 -14.882 -11.533 0.00 0.00 SOLV ATOM 10929 H2 TIP3 1645 4.750 -15.665 -12.839 0.00 0.00 SOLV ATOM 10930 OH2 TIP3 1646 2.363 -13.726 -34.086 0.00 0.00 SOLV ATOM 10931 H1 TIP3 1646 2.648 -14.356 -34.745 0.00 0.00 SOLV ATOM 10932 H2 TIP3 1646 2.363 -14.234 -33.260 0.00 0.00 SOLV ATOM 10933 OH2 TIP3 1647 -5.450 -17.353 -19.098 0.00 0.00 SOLV ATOM 10934 H1 TIP3 1647 -5.575 -18.136 -19.656 0.00 0.00 SOLV ATOM 10935 H2 TIP3 1647 -5.700 -17.710 -18.207 0.00 0.00 SOLV ATOM 10936 OH2 TIP3 1648 3.023 -22.747 -1.728 0.00 0.00 SOLV ATOM 10937 H1 TIP3 1648 3.359 -21.929 -2.044 0.00 0.00 SOLV ATOM 10938 H2 TIP3 1648 2.115 -22.643 -1.934 0.00 0.00 SOLV ATOM 10939 OH2 TIP3 1649 -3.994 -8.610 -1.088 0.00 0.00 SOLV ATOM 10940 H1 TIP3 1649 -3.690 -7.754 -0.921 0.00 0.00 SOLV ATOM 10941 H2 TIP3 1649 -3.180 -9.174 -1.045 0.00 0.00 SOLV ATOM 10942 OH2 TIP3 1650 4.276 -11.345 -0.932 0.00 0.00 SOLV ATOM 10943 H1 TIP3 1650 3.288 -11.325 -1.137 0.00 0.00 SOLV ATOM 10944 H2 TIP3 1650 4.219 -11.978 -0.088 0.00 0.00 SOLV ATOM 10945 OH2 TIP3 1651 7.422 -19.392 1.230 0.00 0.00 SOLV ATOM 10946 H1 TIP3 1651 7.937 -20.174 1.457 0.00 0.00 SOLV ATOM 10947 H2 TIP3 1651 7.539 -18.760 2.019 0.00 0.00 SOLV ATOM 10948 OH2 TIP3 1652 -9.475 -16.831 -3.643 0.00 0.00 SOLV ATOM 10949 H1 TIP3 1652 -9.279 -17.783 -3.562 0.00 0.00 SOLV ATOM 10950 H2 TIP3 1652 -9.267 -16.651 -4.556 0.00 0.00 SOLV ATOM 10951 OH2 TIP3 1653 6.869 -7.666 -49.705 0.00 0.00 SOLV ATOM 10952 H1 TIP3 1653 6.197 -7.483 -50.444 0.00 0.00 SOLV ATOM 10953 H2 TIP3 1653 6.356 -8.016 -48.975 0.00 0.00 SOLV ATOM 10954 OH2 TIP3 1654 -5.323 2.877 -46.730 0.00 0.00 SOLV ATOM 10955 H1 TIP3 1654 -4.705 3.477 -46.274 0.00 0.00 SOLV ATOM 10956 H2 TIP3 1654 -4.732 2.385 -47.381 0.00 0.00 SOLV ATOM 10957 OH2 TIP3 1655 -14.552 -16.629 -38.027 0.00 0.00 SOLV ATOM 10958 H1 TIP3 1655 -14.915 -17.078 -37.311 0.00 0.00 SOLV ATOM 10959 H2 TIP3 1655 -15.133 -15.899 -38.215 0.00 0.00 SOLV ATOM 10960 OH2 TIP3 1656 -1.709 -16.978 -40.462 0.00 0.00 SOLV ATOM 10961 H1 TIP3 1656 -1.605 -17.861 -40.833 0.00 0.00 SOLV ATOM 10962 H2 TIP3 1656 -2.027 -17.116 -39.530 0.00 0.00 SOLV ATOM 10963 OH2 TIP3 1657 2.353 -14.646 -39.836 0.00 0.00 SOLV ATOM 10964 H1 TIP3 1657 1.518 -14.777 -39.370 0.00 0.00 SOLV ATOM 10965 H2 TIP3 1657 2.705 -15.504 -39.920 0.00 0.00 SOLV ATOM 10966 OH2 TIP3 1658 3.300 -17.554 -39.779 0.00 0.00 SOLV ATOM 10967 H1 TIP3 1658 3.792 -18.106 -40.420 0.00 0.00 SOLV ATOM 10968 H2 TIP3 1658 3.833 -17.632 -38.956 0.00 0.00 SOLV ATOM 10969 OH2 TIP3 1659 -18.175 -17.105 -18.290 0.00 0.00 SOLV ATOM 10970 H1 TIP3 1659 -17.658 -17.833 -18.589 0.00 0.00 SOLV ATOM 10971 H2 TIP3 1659 -18.186 -17.217 -17.309 0.00 0.00 SOLV ATOM 10972 OH2 TIP3 1660 -0.148 -10.015 -15.773 0.00 0.00 SOLV ATOM 10973 H1 TIP3 1660 0.248 -10.525 -16.530 0.00 0.00 SOLV ATOM 10974 H2 TIP3 1660 0.293 -10.308 -15.002 0.00 0.00 SOLV ATOM 10975 OH2 TIP3 1661 -6.505 -8.732 0.197 0.00 0.00 SOLV ATOM 10976 H1 TIP3 1661 -5.699 -8.495 -0.318 0.00 0.00 SOLV ATOM 10977 H2 TIP3 1661 -6.206 -9.314 0.952 0.00 0.00 SOLV ATOM 10978 OH2 TIP3 1662 -11.463 -4.673 -32.321 0.00 0.00 SOLV ATOM 10979 H1 TIP3 1662 -11.395 -5.645 -32.542 0.00 0.00 SOLV ATOM 10980 H2 TIP3 1662 -10.653 -4.257 -32.648 0.00 0.00 SOLV ATOM 10981 OH2 TIP3 1663 -1.343 -27.265 16.799 0.00 0.00 SOLV ATOM 10982 H1 TIP3 1663 -0.585 -27.220 16.215 0.00 0.00 SOLV ATOM 10983 H2 TIP3 1663 -1.790 -26.484 16.614 0.00 0.00 SOLV ATOM 10984 OH2 TIP3 1664 0.039 -23.430 -7.665 0.00 0.00 SOLV ATOM 10985 H1 TIP3 1664 -0.085 -22.468 -7.904 0.00 0.00 SOLV ATOM 10986 H2 TIP3 1664 0.194 -23.918 -8.542 0.00 0.00 SOLV ATOM 10987 OH2 TIP3 1665 -14.674 -10.995 7.213 0.00 0.00 SOLV ATOM 10988 H1 TIP3 1665 -14.327 -11.242 8.084 0.00 0.00 SOLV ATOM 10989 H2 TIP3 1665 -14.895 -10.065 7.364 0.00 0.00 SOLV ATOM 10990 OH2 TIP3 1666 6.646 -4.167 -6.303 0.00 0.00 SOLV ATOM 10991 H1 TIP3 1666 6.526 -5.140 -6.130 0.00 0.00 SOLV ATOM 10992 H2 TIP3 1666 7.354 -4.165 -6.923 0.00 0.00 SOLV ATOM 10993 OH2 TIP3 1667 3.144 -8.200 4.291 0.00 0.00 SOLV ATOM 10994 H1 TIP3 1667 3.558 -9.035 4.002 0.00 0.00 SOLV ATOM 10995 H2 TIP3 1667 2.218 -8.424 4.276 0.00 0.00 SOLV ATOM 10996 OH2 TIP3 1668 -8.840 -5.412 -44.791 0.00 0.00 SOLV ATOM 10997 H1 TIP3 1668 -8.754 -4.504 -44.441 0.00 0.00 SOLV ATOM 10998 H2 TIP3 1668 -7.961 -5.760 -44.460 0.00 0.00 SOLV ATOM 10999 OH2 TIP3 1669 -5.105 2.275 -41.786 0.00 0.00 SOLV ATOM 11000 H1 TIP3 1669 -5.048 2.770 -42.634 0.00 0.00 SOLV ATOM 11001 H2 TIP3 1669 -5.092 3.015 -41.171 0.00 0.00 SOLV ATOM 11002 OH2 TIP3 1670 -8.257 -9.740 -37.167 0.00 0.00 SOLV ATOM 11003 H1 TIP3 1670 -8.727 -9.479 -37.975 0.00 0.00 SOLV ATOM 11004 H2 TIP3 1670 -8.084 -10.652 -37.371 0.00 0.00 SOLV ATOM 11005 OH2 TIP3 1671 -1.062 -14.068 -43.639 0.00 0.00 SOLV ATOM 11006 H1 TIP3 1671 -0.813 -14.050 -42.744 0.00 0.00 SOLV ATOM 11007 H2 TIP3 1671 -1.193 -13.123 -43.855 0.00 0.00 SOLV ATOM 11008 OH2 TIP3 1672 -10.931 -16.987 -12.865 0.00 0.00 SOLV ATOM 11009 H1 TIP3 1672 -11.318 -16.196 -13.266 0.00 0.00 SOLV ATOM 11010 H2 TIP3 1672 -10.082 -16.634 -12.545 0.00 0.00 SOLV ATOM 11011 OH2 TIP3 1673 -12.686 -15.885 -32.592 0.00 0.00 SOLV ATOM 11012 H1 TIP3 1673 -12.185 -15.094 -32.234 0.00 0.00 SOLV ATOM 11013 H2 TIP3 1673 -12.211 -16.696 -32.237 0.00 0.00 SOLV ATOM 11014 OH2 TIP3 1674 27.230 0.658 -17.687 0.00 0.00 SOLV ATOM 11015 H1 TIP3 1674 27.374 0.259 -16.805 0.00 0.00 SOLV ATOM 11016 H2 TIP3 1674 28.071 0.640 -18.126 0.00 0.00 SOLV ATOM 11017 OH2 TIP3 1675 12.291 14.084 -3.446 0.00 0.00 SOLV ATOM 11018 H1 TIP3 1675 11.426 13.909 -3.075 0.00 0.00 SOLV ATOM 11019 H2 TIP3 1675 12.108 14.440 -4.324 0.00 0.00 SOLV ATOM 11020 OH2 TIP3 1676 9.415 -10.128 -49.307 0.00 0.00 SOLV ATOM 11021 H1 TIP3 1676 8.970 -10.432 -48.525 0.00 0.00 SOLV ATOM 11022 H2 TIP3 1676 9.416 -10.915 -49.885 0.00 0.00 SOLV ATOM 11023 OH2 TIP3 1677 18.870 -8.675 -15.963 0.00 0.00 SOLV ATOM 11024 H1 TIP3 1677 18.637 -9.585 -16.303 0.00 0.00 SOLV ATOM 11025 H2 TIP3 1677 18.983 -8.191 -16.731 0.00 0.00 SOLV ATOM 11026 OH2 TIP3 1678 2.962 -7.318 -46.051 0.00 0.00 SOLV ATOM 11027 H1 TIP3 1678 2.967 -7.223 -45.076 0.00 0.00 SOLV ATOM 11028 H2 TIP3 1678 2.018 -7.189 -46.315 0.00 0.00 SOLV ATOM 11029 OH2 TIP3 1679 -15.455 -5.368 -33.509 0.00 0.00 SOLV ATOM 11030 H1 TIP3 1679 -15.749 -6.250 -33.718 0.00 0.00 SOLV ATOM 11031 H2 TIP3 1679 -15.013 -5.119 -34.386 0.00 0.00 SOLV ATOM 11032 OH2 TIP3 1680 12.638 -9.148 -46.643 0.00 0.00 SOLV ATOM 11033 H1 TIP3 1680 13.312 -9.872 -46.641 0.00 0.00 SOLV ATOM 11034 H2 TIP3 1680 11.838 -9.601 -46.642 0.00 0.00 SOLV ATOM 11035 OH2 TIP3 1681 28.819 20.224 -14.461 0.00 0.00 SOLV ATOM 11036 H1 TIP3 1681 29.647 20.335 -14.012 0.00 0.00 SOLV ATOM 11037 H2 TIP3 1681 28.218 20.786 -13.927 0.00 0.00 SOLV ATOM 11038 OH2 TIP3 1682 11.659 -1.773 1.491 0.00 0.00 SOLV ATOM 11039 H1 TIP3 1682 11.014 -1.870 2.189 0.00 0.00 SOLV ATOM 11040 H2 TIP3 1682 11.074 -1.695 0.707 0.00 0.00 SOLV ATOM 11041 OH2 TIP3 1683 1.209 -4.458 -33.418 0.00 0.00 SOLV ATOM 11042 H1 TIP3 1683 1.061 -4.703 -34.384 0.00 0.00 SOLV ATOM 11043 H2 TIP3 1683 1.918 -5.043 -33.215 0.00 0.00 SOLV ATOM 11044 OH2 TIP3 1684 -1.409 -12.603 -35.964 0.00 0.00 SOLV ATOM 11045 H1 TIP3 1684 -2.164 -12.494 -36.634 0.00 0.00 SOLV ATOM 11046 H2 TIP3 1684 -1.548 -11.822 -35.353 0.00 0.00 SOLV ATOM 11047 OH2 TIP3 1685 0.209 6.601 -43.158 0.00 0.00 SOLV ATOM 11048 H1 TIP3 1685 1.159 6.569 -42.854 0.00 0.00 SOLV ATOM 11049 H2 TIP3 1685 -0.118 7.395 -42.644 0.00 0.00 SOLV ATOM 11050 OH2 TIP3 1686 3.987 9.661 -50.749 0.00 0.00 SOLV ATOM 11051 H1 TIP3 1686 3.683 10.161 -50.016 0.00 0.00 SOLV ATOM 11052 H2 TIP3 1686 3.474 8.819 -50.721 0.00 0.00 SOLV ATOM 11053 OH2 TIP3 1687 -1.046 5.560 -40.010 0.00 0.00 SOLV ATOM 11054 H1 TIP3 1687 -0.369 6.240 -40.172 0.00 0.00 SOLV ATOM 11055 H2 TIP3 1687 -0.570 4.830 -39.569 0.00 0.00 SOLV ATOM 11056 OH2 TIP3 1688 9.209 -2.084 -52.879 0.00 0.00 SOLV ATOM 11057 H1 TIP3 1688 10.183 -2.090 -53.023 0.00 0.00 SOLV ATOM 11058 H2 TIP3 1688 9.118 -1.138 -52.524 0.00 0.00 SOLV ATOM 11059 OH2 TIP3 1689 -16.299 -4.872 -21.597 0.00 0.00 SOLV ATOM 11060 H1 TIP3 1689 -16.719 -5.547 -22.148 0.00 0.00 SOLV ATOM 11061 H2 TIP3 1689 -15.798 -5.387 -20.993 0.00 0.00 SOLV ATOM 11062 OH2 TIP3 1690 5.860 2.515 -51.137 0.00 0.00 SOLV ATOM 11063 H1 TIP3 1690 6.616 2.992 -51.441 0.00 0.00 SOLV ATOM 11064 H2 TIP3 1690 5.412 3.273 -50.742 0.00 0.00 SOLV ATOM 11065 OH2 TIP3 1691 -1.162 -3.625 -48.168 0.00 0.00 SOLV ATOM 11066 H1 TIP3 1691 -1.243 -2.652 -48.029 0.00 0.00 SOLV ATOM 11067 H2 TIP3 1691 -1.645 -3.839 -49.046 0.00 0.00 SOLV ATOM 11068 OH2 TIP3 1692 -10.295 8.069 -33.904 0.00 0.00 SOLV ATOM 11069 H1 TIP3 1692 -9.888 8.790 -34.389 0.00 0.00 SOLV ATOM 11070 H2 TIP3 1692 -9.633 7.352 -33.851 0.00 0.00 SOLV ATOM 11071 OH2 TIP3 1693 1.489 16.103 -38.857 0.00 0.00 SOLV ATOM 11072 H1 TIP3 1693 2.285 15.653 -38.484 0.00 0.00 SOLV ATOM 11073 H2 TIP3 1693 1.409 15.621 -39.670 0.00 0.00 SOLV ATOM 11074 OH2 TIP3 1694 -15.514 6.837 -36.273 0.00 0.00 SOLV ATOM 11075 H1 TIP3 1694 -15.362 6.074 -35.630 0.00 0.00 SOLV ATOM 11076 H2 TIP3 1694 -14.691 6.949 -36.617 0.00 0.00 SOLV ATOM 11077 OH2 TIP3 1695 4.655 4.787 -50.220 0.00 0.00 SOLV ATOM 11078 H1 TIP3 1695 5.279 5.511 -49.900 0.00 0.00 SOLV ATOM 11079 H2 TIP3 1695 3.763 5.116 -50.142 0.00 0.00 SOLV ATOM 11080 OH2 TIP3 1696 -18.771 16.114 10.676 0.00 0.00 SOLV ATOM 11081 H1 TIP3 1696 -18.508 16.452 9.804 0.00 0.00 SOLV ATOM 11082 H2 TIP3 1696 -19.766 16.108 10.635 0.00 0.00 SOLV ATOM 11083 OH2 TIP3 1697 -13.219 19.571 -14.305 0.00 0.00 SOLV ATOM 11084 H1 TIP3 1697 -13.762 19.627 -15.086 0.00 0.00 SOLV ATOM 11085 H2 TIP3 1697 -13.826 19.354 -13.585 0.00 0.00 SOLV ATOM 11086 OH2 TIP3 1698 -7.813 -22.034 -18.714 0.00 0.00 SOLV ATOM 11087 H1 TIP3 1698 -7.314 -21.416 -18.167 0.00 0.00 SOLV ATOM 11088 H2 TIP3 1698 -7.699 -22.908 -18.278 0.00 0.00 SOLV ATOM 11089 OH2 TIP3 1699 -0.383 4.049 -44.174 0.00 0.00 SOLV ATOM 11090 H1 TIP3 1699 -0.240 4.991 -43.953 0.00 0.00 SOLV ATOM 11091 H2 TIP3 1699 -0.688 3.737 -43.269 0.00 0.00 SOLV ATOM 11092 OH2 TIP3 1700 8.201 -12.207 -15.284 0.00 0.00 SOLV ATOM 11093 H1 TIP3 1700 7.385 -11.890 -15.665 0.00 0.00 SOLV ATOM 11094 H2 TIP3 1700 7.915 -12.950 -14.783 0.00 0.00 SOLV ATOM 11095 OH2 TIP3 1701 7.943 -0.330 -37.420 0.00 0.00 SOLV ATOM 11096 H1 TIP3 1701 7.970 -1.121 -38.002 0.00 0.00 SOLV ATOM 11097 H2 TIP3 1701 8.431 0.356 -37.874 0.00 0.00 SOLV ATOM 11098 OH2 TIP3 1702 -10.144 9.202 -31.292 0.00 0.00 SOLV ATOM 11099 H1 TIP3 1702 -10.578 9.066 -32.156 0.00 0.00 SOLV ATOM 11100 H2 TIP3 1702 -10.221 8.354 -30.758 0.00 0.00 SOLV ATOM 11101 OH2 TIP3 1703 30.040 20.602 -17.833 0.00 0.00 SOLV ATOM 11102 H1 TIP3 1703 30.771 21.300 -17.688 0.00 0.00 SOLV ATOM 11103 H2 TIP3 1703 29.438 20.797 -17.141 0.00 0.00 SOLV ATOM 11104 OH2 TIP3 1704 -11.514 10.241 -42.100 0.00 0.00 SOLV ATOM 11105 H1 TIP3 1704 -12.234 9.996 -41.535 0.00 0.00 SOLV ATOM 11106 H2 TIP3 1704 -11.424 9.404 -42.602 0.00 0.00 SOLV ATOM 11107 OH2 TIP3 1705 -3.713 6.908 -42.515 0.00 0.00 SOLV ATOM 11108 H1 TIP3 1705 -2.885 7.130 -42.030 0.00 0.00 SOLV ATOM 11109 H2 TIP3 1705 -3.998 6.091 -42.059 0.00 0.00 SOLV ATOM 11110 OH2 TIP3 1706 -21.939 -5.264 -2.311 0.00 0.00 SOLV ATOM 11111 H1 TIP3 1706 -22.883 -5.168 -2.359 0.00 0.00 SOLV ATOM 11112 H2 TIP3 1706 -21.526 -5.357 -3.188 0.00 0.00 SOLV ATOM 11113 OH2 TIP3 1707 4.389 15.555 -43.501 0.00 0.00 SOLV ATOM 11114 H1 TIP3 1707 4.864 14.708 -43.700 0.00 0.00 SOLV ATOM 11115 H2 TIP3 1707 3.529 15.381 -43.932 0.00 0.00 SOLV ATOM 11116 OH2 TIP3 1708 1.985 -8.434 -21.808 0.00 0.00 SOLV ATOM 11117 H1 TIP3 1708 2.804 -8.032 -21.588 0.00 0.00 SOLV ATOM 11118 H2 TIP3 1708 1.399 -8.281 -21.029 0.00 0.00 SOLV ATOM 11119 OH2 TIP3 1709 -10.237 -32.828 6.096 0.00 0.00 SOLV ATOM 11120 H1 TIP3 1709 -10.123 -32.811 7.052 0.00 0.00 SOLV ATOM 11121 H2 TIP3 1709 -10.302 -31.919 5.858 0.00 0.00 SOLV ATOM 11122 OH2 TIP3 1710 5.228 13.204 -48.435 0.00 0.00 SOLV ATOM 11123 H1 TIP3 1710 4.843 12.359 -48.164 0.00 0.00 SOLV ATOM 11124 H2 TIP3 1710 5.864 12.927 -49.094 0.00 0.00 SOLV ATOM 11125 OH2 TIP3 1711 7.982 3.257 -35.909 0.00 0.00 SOLV ATOM 11126 H1 TIP3 1711 8.842 3.153 -35.484 0.00 0.00 SOLV ATOM 11127 H2 TIP3 1711 7.400 2.925 -35.210 0.00 0.00 SOLV ATOM 11128 OH2 TIP3 1712 -10.679 13.326 -39.811 0.00 0.00 SOLV ATOM 11129 H1 TIP3 1712 -11.438 13.783 -39.482 0.00 0.00 SOLV ATOM 11130 H2 TIP3 1712 -10.009 13.682 -39.192 0.00 0.00 SOLV ATOM 11131 OH2 TIP3 1713 -1.197 11.963 -39.814 0.00 0.00 SOLV ATOM 11132 H1 TIP3 1713 -0.695 11.550 -40.516 0.00 0.00 SOLV ATOM 11133 H2 TIP3 1713 -1.929 12.394 -40.354 0.00 0.00 SOLV ATOM 11134 OH2 TIP3 1714 -6.178 22.623 -23.501 0.00 0.00 SOLV ATOM 11135 H1 TIP3 1714 -5.376 22.298 -23.914 0.00 0.00 SOLV ATOM 11136 H2 TIP3 1714 -6.032 23.567 -23.676 0.00 0.00 SOLV ATOM 11137 OH2 TIP3 1715 -19.757 9.974 -24.319 0.00 0.00 SOLV ATOM 11138 H1 TIP3 1715 -19.306 10.823 -24.480 0.00 0.00 SOLV ATOM 11139 H2 TIP3 1715 -19.849 9.648 -25.239 0.00 0.00 SOLV ATOM 11140 OH2 TIP3 1716 24.702 -1.584 -41.430 0.00 0.00 SOLV ATOM 11141 H1 TIP3 1716 25.491 -0.968 -41.513 0.00 0.00 SOLV ATOM 11142 H2 TIP3 1716 24.182 -1.374 -42.174 0.00 0.00 SOLV ATOM 11143 OH2 TIP3 1717 20.457 10.649 -45.250 0.00 0.00 SOLV ATOM 11144 H1 TIP3 1717 19.486 10.367 -45.327 0.00 0.00 SOLV ATOM 11145 H2 TIP3 1717 20.414 11.146 -44.425 0.00 0.00 SOLV ATOM 11146 OH2 TIP3 1718 12.504 -8.160 -9.178 0.00 0.00 SOLV ATOM 11147 H1 TIP3 1718 12.505 -9.097 -9.317 0.00 0.00 SOLV ATOM 11148 H2 TIP3 1718 13.487 -7.944 -8.936 0.00 0.00 SOLV ATOM 11149 OH2 TIP3 1719 8.022 -5.111 -8.491 0.00 0.00 SOLV ATOM 11150 H1 TIP3 1719 8.781 -4.552 -8.687 0.00 0.00 SOLV ATOM 11151 H2 TIP3 1719 7.545 -5.138 -9.333 0.00 0.00 SOLV ATOM 11152 OH2 TIP3 1720 -9.249 22.224 -9.400 0.00 0.00 SOLV ATOM 11153 H1 TIP3 1720 -9.584 22.164 -8.463 0.00 0.00 SOLV ATOM 11154 H2 TIP3 1720 -8.535 21.536 -9.464 0.00 0.00 SOLV ATOM 11155 OH2 TIP3 1721 -12.485 15.119 -37.985 0.00 0.00 SOLV ATOM 11156 H1 TIP3 1721 -12.349 14.704 -37.117 0.00 0.00 SOLV ATOM 11157 H2 TIP3 1721 -11.577 15.321 -38.235 0.00 0.00 SOLV ATOM 11158 OH2 TIP3 1722 -5.078 -12.477 -7.034 0.00 0.00 SOLV ATOM 11159 H1 TIP3 1722 -5.867 -12.294 -7.572 0.00 0.00 SOLV ATOM 11160 H2 TIP3 1722 -5.089 -13.450 -7.007 0.00 0.00 SOLV ATOM 11161 OH2 TIP3 1723 10.078 17.743 -9.939 0.00 0.00 SOLV ATOM 11162 H1 TIP3 1723 11.008 17.768 -10.197 0.00 0.00 SOLV ATOM 11163 H2 TIP3 1723 10.157 17.411 -9.035 0.00 0.00 SOLV ATOM 11164 OH2 TIP3 1724 1.985 -23.543 -30.745 0.00 0.00 SOLV ATOM 11165 H1 TIP3 1724 2.343 -23.871 -29.871 0.00 0.00 SOLV ATOM 11166 H2 TIP3 1724 1.010 -23.560 -30.540 0.00 0.00 SOLV ATOM 11167 OH2 TIP3 1725 14.000 12.427 -1.890 0.00 0.00 SOLV ATOM 11168 H1 TIP3 1725 13.610 11.531 -2.125 0.00 0.00 SOLV ATOM 11169 H2 TIP3 1725 13.555 12.999 -2.603 0.00 0.00 SOLV ATOM 11170 OH2 TIP3 1726 -14.390 -31.171 -12.907 0.00 0.00 SOLV ATOM 11171 H1 TIP3 1726 -13.707 -31.836 -13.167 0.00 0.00 SOLV ATOM 11172 H2 TIP3 1726 -15.030 -31.649 -12.390 0.00 0.00 SOLV ATOM 11173 OH2 TIP3 1727 5.073 -27.537 -0.679 0.00 0.00 SOLV ATOM 11174 H1 TIP3 1727 4.355 -26.838 -0.544 0.00 0.00 SOLV ATOM 11175 H2 TIP3 1727 5.919 -27.013 -0.536 0.00 0.00 SOLV ATOM 11176 OH2 TIP3 1728 -8.054 -24.514 -32.866 0.00 0.00 SOLV ATOM 11177 H1 TIP3 1728 -8.297 -23.929 -32.098 0.00 0.00 SOLV ATOM 11178 H2 TIP3 1728 -7.087 -24.395 -32.953 0.00 0.00 SOLV ATOM 11179 OH2 TIP3 1729 0.844 -15.542 -32.414 0.00 0.00 SOLV ATOM 11180 H1 TIP3 1729 0.302 -14.878 -31.943 0.00 0.00 SOLV ATOM 11181 H2 TIP3 1729 1.752 -15.431 -32.180 0.00 0.00 SOLV ATOM 11182 OH2 TIP3 1730 10.541 -20.841 -12.622 0.00 0.00 SOLV ATOM 11183 H1 TIP3 1730 11.148 -21.607 -12.774 0.00 0.00 SOLV ATOM 11184 H2 TIP3 1730 10.308 -20.505 -13.499 0.00 0.00 SOLV ATOM 11185 OH2 TIP3 1731 -0.197 -25.442 -5.887 0.00 0.00 SOLV ATOM 11186 H1 TIP3 1731 0.139 -24.621 -6.345 0.00 0.00 SOLV ATOM 11187 H2 TIP3 1731 0.522 -25.841 -5.376 0.00 0.00 SOLV ATOM 11188 OH2 TIP3 1732 -4.706 -25.456 -4.480 0.00 0.00 SOLV ATOM 11189 H1 TIP3 1732 -3.753 -25.415 -4.266 0.00 0.00 SOLV ATOM 11190 H2 TIP3 1732 -4.747 -26.105 -5.210 0.00 0.00 SOLV ATOM 11191 OH2 TIP3 1733 9.459 -30.533 3.934 0.00 0.00 SOLV ATOM 11192 H1 TIP3 1733 9.600 -31.516 3.830 0.00 0.00 SOLV ATOM 11193 H2 TIP3 1733 10.305 -30.161 3.812 0.00 0.00 SOLV ATOM 11194 OH2 TIP3 1734 -15.016 -21.664 -20.639 0.00 0.00 SOLV ATOM 11195 H1 TIP3 1734 -15.793 -22.247 -20.789 0.00 0.00 SOLV ATOM 11196 H2 TIP3 1734 -15.241 -21.311 -19.743 0.00 0.00 SOLV ATOM 11197 OH2 TIP3 1735 9.072 -20.441 -25.454 0.00 0.00 SOLV ATOM 11198 H1 TIP3 1735 9.350 -21.371 -25.391 0.00 0.00 SOLV ATOM 11199 H2 TIP3 1735 8.240 -20.377 -25.872 0.00 0.00 SOLV ATOM 11200 OH2 TIP3 1736 -0.228 -25.823 5.305 0.00 0.00 SOLV ATOM 11201 H1 TIP3 1736 -0.340 -26.482 4.620 0.00 0.00 SOLV ATOM 11202 H2 TIP3 1736 -0.853 -25.079 5.083 0.00 0.00 SOLV ATOM 11203 OH2 TIP3 1737 3.597 -23.297 4.424 0.00 0.00 SOLV ATOM 11204 H1 TIP3 1737 4.177 -24.129 4.388 0.00 0.00 SOLV ATOM 11205 H2 TIP3 1737 4.177 -22.598 4.161 0.00 0.00 SOLV ATOM 11206 OH2 TIP3 1738 -9.929 3.803 -26.801 0.00 0.00 SOLV ATOM 11207 H1 TIP3 1738 -9.976 3.067 -27.390 0.00 0.00 SOLV ATOM 11208 H2 TIP3 1738 -10.463 3.469 -26.063 0.00 0.00 SOLV ATOM 11209 OH2 TIP3 1739 1.313 -24.176 -25.073 0.00 0.00 SOLV ATOM 11210 H1 TIP3 1739 0.469 -24.468 -24.929 0.00 0.00 SOLV ATOM 11211 H2 TIP3 1739 1.714 -24.905 -25.601 0.00 0.00 SOLV ATOM 11212 OH2 TIP3 1740 -8.834 -23.374 -6.730 0.00 0.00 SOLV ATOM 11213 H1 TIP3 1740 -9.775 -23.367 -6.515 0.00 0.00 SOLV ATOM 11214 H2 TIP3 1740 -8.662 -22.442 -6.913 0.00 0.00 SOLV ATOM 11215 OH2 TIP3 1741 0.058 -20.513 -11.425 0.00 0.00 SOLV ATOM 11216 H1 TIP3 1741 -0.008 -19.612 -10.969 0.00 0.00 SOLV ATOM 11217 H2 TIP3 1741 0.992 -20.544 -11.399 0.00 0.00 SOLV ATOM 11218 OH2 TIP3 1742 1.302 -8.727 -2.745 0.00 0.00 SOLV ATOM 11219 H1 TIP3 1742 0.970 -8.249 -3.558 0.00 0.00 SOLV ATOM 11220 H2 TIP3 1742 2.283 -8.833 -2.843 0.00 0.00 SOLV ATOM 11221 OH2 TIP3 1743 -13.276 -27.729 4.300 0.00 0.00 SOLV ATOM 11222 H1 TIP3 1743 -12.440 -27.374 3.890 0.00 0.00 SOLV ATOM 11223 H2 TIP3 1743 -13.928 -27.649 3.536 0.00 0.00 SOLV ATOM 11224 OH2 TIP3 1744 -9.857 -25.783 -0.226 0.00 0.00 SOLV ATOM 11225 H1 TIP3 1744 -10.218 -26.489 -0.745 0.00 0.00 SOLV ATOM 11226 H2 TIP3 1744 -9.006 -26.108 0.172 0.00 0.00 SOLV ATOM 11227 OH2 TIP3 1745 1.046 -7.252 12.984 0.00 0.00 SOLV ATOM 11228 H1 TIP3 1745 0.849 -8.032 13.552 0.00 0.00 SOLV ATOM 11229 H2 TIP3 1745 1.620 -6.724 13.571 0.00 0.00 SOLV ATOM 11230 OH2 TIP3 1746 -6.683 -20.395 -38.076 0.00 0.00 SOLV ATOM 11231 H1 TIP3 1746 -7.318 -19.941 -38.695 0.00 0.00 SOLV ATOM 11232 H2 TIP3 1746 -6.948 -19.954 -37.301 0.00 0.00 SOLV ATOM 11233 OH2 TIP3 1747 15.346 -12.118 -33.395 0.00 0.00 SOLV ATOM 11234 H1 TIP3 1747 14.873 -11.559 -34.101 0.00 0.00 SOLV ATOM 11235 H2 TIP3 1747 16.111 -12.460 -33.924 0.00 0.00 SOLV ATOM 11236 OH2 TIP3 1748 -10.356 -22.134 -29.414 0.00 0.00 SOLV ATOM 11237 H1 TIP3 1748 -9.648 -22.309 -28.828 0.00 0.00 SOLV ATOM 11238 H2 TIP3 1748 -9.860 -21.671 -30.087 0.00 0.00 SOLV ATOM 11239 OH2 TIP3 1749 5.811 -18.185 -23.443 0.00 0.00 SOLV ATOM 11240 H1 TIP3 1749 5.190 -18.703 -23.907 0.00 0.00 SOLV ATOM 11241 H2 TIP3 1749 6.333 -18.897 -22.913 0.00 0.00 SOLV ATOM 11242 OH2 TIP3 1750 5.885 -16.288 -7.162 0.00 0.00 SOLV ATOM 11243 H1 TIP3 1750 4.996 -16.270 -6.860 0.00 0.00 SOLV ATOM 11244 H2 TIP3 1750 6.317 -16.267 -6.331 0.00 0.00 SOLV ATOM 11245 OH2 TIP3 1751 -0.979 -9.400 -24.777 0.00 0.00 SOLV ATOM 11246 H1 TIP3 1751 -1.870 -9.501 -24.447 0.00 0.00 SOLV ATOM 11247 H2 TIP3 1751 -0.771 -8.627 -24.299 0.00 0.00 SOLV ATOM 11248 OH2 TIP3 1752 -1.641 -26.384 -13.459 0.00 0.00 SOLV ATOM 11249 H1 TIP3 1752 -2.146 -26.366 -12.625 0.00 0.00 SOLV ATOM 11250 H2 TIP3 1752 -1.884 -27.293 -13.874 0.00 0.00 SOLV ATOM 11251 OH2 TIP3 1753 5.752 -18.567 -0.699 0.00 0.00 SOLV ATOM 11252 H1 TIP3 1753 6.146 -18.923 0.146 0.00 0.00 SOLV ATOM 11253 H2 TIP3 1753 6.315 -17.783 -0.954 0.00 0.00 SOLV ATOM 11254 OH2 TIP3 1754 9.277 -18.252 5.746 0.00 0.00 SOLV ATOM 11255 H1 TIP3 1754 9.926 -19.014 5.882 0.00 0.00 SOLV ATOM 11256 H2 TIP3 1754 8.548 -18.564 6.300 0.00 0.00 SOLV ATOM 11257 OH2 TIP3 1755 -3.867 -22.717 -35.561 0.00 0.00 SOLV ATOM 11258 H1 TIP3 1755 -3.495 -21.811 -35.662 0.00 0.00 SOLV ATOM 11259 H2 TIP3 1755 -4.088 -22.979 -36.524 0.00 0.00 SOLV ATOM 11260 OH2 TIP3 1756 -0.636 3.264 -38.734 0.00 0.00 SOLV ATOM 11261 H1 TIP3 1756 -1.513 2.704 -38.688 0.00 0.00 SOLV ATOM 11262 H2 TIP3 1756 -0.558 3.582 -37.818 0.00 0.00 SOLV ATOM 11263 OH2 TIP3 1757 -2.259 -17.961 -21.690 0.00 0.00 SOLV ATOM 11264 H1 TIP3 1757 -1.655 -18.600 -21.202 0.00 0.00 SOLV ATOM 11265 H2 TIP3 1757 -3.136 -18.149 -21.409 0.00 0.00 SOLV ATOM 11266 OH2 TIP3 1758 4.995 -18.948 -14.613 0.00 0.00 SOLV ATOM 11267 H1 TIP3 1758 4.571 -19.326 -15.428 0.00 0.00 SOLV ATOM 11268 H2 TIP3 1758 5.938 -19.028 -14.904 0.00 0.00 SOLV ATOM 11269 OH2 TIP3 1759 -5.336 -24.165 -33.688 0.00 0.00 SOLV ATOM 11270 H1 TIP3 1759 -4.791 -23.787 -34.345 0.00 0.00 SOLV ATOM 11271 H2 TIP3 1759 -4.782 -23.906 -32.946 0.00 0.00 SOLV ATOM 11272 OH2 TIP3 1760 18.503 -19.143 -21.609 0.00 0.00 SOLV ATOM 11273 H1 TIP3 1760 19.195 -18.834 -20.935 0.00 0.00 SOLV ATOM 11274 H2 TIP3 1760 17.647 -18.928 -21.207 0.00 0.00 SOLV ATOM 11275 OH2 TIP3 1761 -10.383 -19.339 -26.480 0.00 0.00 SOLV ATOM 11276 H1 TIP3 1761 -10.152 -19.420 -25.501 0.00 0.00 SOLV ATOM 11277 H2 TIP3 1761 -9.469 -19.303 -26.953 0.00 0.00 SOLV ATOM 11278 OH2 TIP3 1762 5.122 -16.282 -14.552 0.00 0.00 SOLV ATOM 11279 H1 TIP3 1762 4.116 -16.256 -14.543 0.00 0.00 SOLV ATOM 11280 H2 TIP3 1762 5.237 -17.177 -14.868 0.00 0.00 SOLV ATOM 11281 OH2 TIP3 1763 -11.644 -24.776 -9.102 0.00 0.00 SOLV ATOM 11282 H1 TIP3 1763 -12.100 -24.426 -9.849 0.00 0.00 SOLV ATOM 11283 H2 TIP3 1763 -11.891 -24.150 -8.393 0.00 0.00 SOLV ATOM 11284 OH2 TIP3 1764 -11.222 -18.902 -1.979 0.00 0.00 SOLV ATOM 11285 H1 TIP3 1764 -11.615 -18.382 -2.608 0.00 0.00 SOLV ATOM 11286 H2 TIP3 1764 -11.876 -18.985 -1.273 0.00 0.00 SOLV ATOM 11287 OH2 TIP3 1765 -20.449 -3.332 16.766 0.00 0.00 SOLV ATOM 11288 H1 TIP3 1765 -20.317 -4.234 17.066 0.00 0.00 SOLV ATOM 11289 H2 TIP3 1765 -20.308 -3.466 15.870 0.00 0.00 SOLV ATOM 11290 OH2 TIP3 1766 -5.073 -11.434 -41.842 0.00 0.00 SOLV ATOM 11291 H1 TIP3 1766 -5.489 -11.210 -40.984 0.00 0.00 SOLV ATOM 11292 H2 TIP3 1766 -5.337 -12.313 -42.098 0.00 0.00 SOLV ATOM 11293 OH2 TIP3 1767 3.743 -6.639 2.118 0.00 0.00 SOLV ATOM 11294 H1 TIP3 1767 3.645 -7.121 2.947 0.00 0.00 SOLV ATOM 11295 H2 TIP3 1767 4.661 -6.913 1.932 0.00 0.00 SOLV ATOM 11296 OH2 TIP3 1768 -0.361 -3.102 9.976 0.00 0.00 SOLV ATOM 11297 H1 TIP3 1768 -0.632 -4.044 10.040 0.00 0.00 SOLV ATOM 11298 H2 TIP3 1768 0.077 -3.071 9.056 0.00 0.00 SOLV ATOM 11299 OH2 TIP3 1769 -13.298 -19.804 -37.840 0.00 0.00 SOLV ATOM 11300 H1 TIP3 1769 -13.877 -19.088 -38.191 0.00 0.00 SOLV ATOM 11301 H2 TIP3 1769 -13.597 -19.921 -36.931 0.00 0.00 SOLV ATOM 11302 OH2 TIP3 1770 4.875 -10.437 -44.364 0.00 0.00 SOLV ATOM 11303 H1 TIP3 1770 4.679 -11.212 -45.004 0.00 0.00 SOLV ATOM 11304 H2 TIP3 1770 5.596 -9.911 -44.811 0.00 0.00 SOLV ATOM 11305 OH2 TIP3 1771 0.324 -1.794 -50.363 0.00 0.00 SOLV ATOM 11306 H1 TIP3 1771 1.221 -1.635 -50.539 0.00 0.00 SOLV ATOM 11307 H2 TIP3 1771 -0.050 -1.722 -51.283 0.00 0.00 SOLV ATOM 11308 OH2 TIP3 1772 14.013 -21.537 -23.502 0.00 0.00 SOLV ATOM 11309 H1 TIP3 1772 14.155 -20.587 -23.371 0.00 0.00 SOLV ATOM 11310 H2 TIP3 1772 13.497 -21.533 -24.313 0.00 0.00 SOLV ATOM 11311 OH2 TIP3 1773 2.147 -23.574 -20.649 0.00 0.00 SOLV ATOM 11312 H1 TIP3 1773 2.564 -24.455 -20.868 0.00 0.00 SOLV ATOM 11313 H2 TIP3 1773 2.189 -23.114 -21.495 0.00 0.00 SOLV ATOM 11314 OH2 TIP3 1774 -3.628 -30.810 -16.476 0.00 0.00 SOLV ATOM 11315 H1 TIP3 1774 -2.670 -31.119 -16.589 0.00 0.00 SOLV ATOM 11316 H2 TIP3 1774 -3.897 -31.115 -15.617 0.00 0.00 SOLV ATOM 11317 OH2 TIP3 1775 17.126 -22.243 -20.640 0.00 0.00 SOLV ATOM 11318 H1 TIP3 1775 16.452 -22.775 -20.140 0.00 0.00 SOLV ATOM 11319 H2 TIP3 1775 17.990 -22.751 -20.558 0.00 0.00 SOLV ATOM 11320 OH2 TIP3 1776 12.101 -17.920 -18.815 0.00 0.00 SOLV ATOM 11321 H1 TIP3 1776 12.538 -17.602 -19.605 0.00 0.00 SOLV ATOM 11322 H2 TIP3 1776 11.817 -18.812 -19.049 0.00 0.00 SOLV ATOM 11323 OH2 TIP3 1777 8.920 -21.792 1.368 0.00 0.00 SOLV ATOM 11324 H1 TIP3 1777 9.490 -21.834 0.622 0.00 0.00 SOLV ATOM 11325 H2 TIP3 1777 9.504 -21.643 2.160 0.00 0.00 SOLV ATOM 11326 OH2 TIP3 1778 3.433 -16.724 -1.120 0.00 0.00 SOLV ATOM 11327 H1 TIP3 1778 3.672 -16.093 -0.429 0.00 0.00 SOLV ATOM 11328 H2 TIP3 1778 4.322 -16.873 -1.437 0.00 0.00 SOLV ATOM 11329 OH2 TIP3 1779 -25.859 -6.585 29.573 0.00 0.00 SOLV ATOM 11330 H1 TIP3 1779 -26.190 -6.833 30.438 0.00 0.00 SOLV ATOM 11331 H2 TIP3 1779 -25.913 -7.444 29.137 0.00 0.00 SOLV ATOM 11332 OH2 TIP3 1780 -17.758 -6.784 -5.240 0.00 0.00 SOLV ATOM 11333 H1 TIP3 1780 -16.959 -7.233 -5.268 0.00 0.00 SOLV ATOM 11334 H2 TIP3 1780 -18.428 -7.430 -4.959 0.00 0.00 SOLV ATOM 11335 OH2 TIP3 1781 10.916 -15.053 -44.102 0.00 0.00 SOLV ATOM 11336 H1 TIP3 1781 9.985 -14.664 -44.027 0.00 0.00 SOLV ATOM 11337 H2 TIP3 1781 11.015 -15.407 -43.206 0.00 0.00 SOLV ATOM 11338 OH2 TIP3 1782 -2.844 -0.383 -46.602 0.00 0.00 SOLV ATOM 11339 H1 TIP3 1782 -3.560 -0.719 -47.163 0.00 0.00 SOLV ATOM 11340 H2 TIP3 1782 -2.019 -0.505 -47.106 0.00 0.00 SOLV ATOM 11341 OH2 TIP3 1783 -4.975 2.197 -37.508 0.00 0.00 SOLV ATOM 11342 H1 TIP3 1783 -4.857 3.148 -37.347 0.00 0.00 SOLV ATOM 11343 H2 TIP3 1783 -4.149 1.781 -37.672 0.00 0.00 SOLV ATOM 11344 OH2 TIP3 1784 -1.908 -21.387 -25.482 0.00 0.00 SOLV ATOM 11345 H1 TIP3 1784 -2.269 -21.026 -24.693 0.00 0.00 SOLV ATOM 11346 H2 TIP3 1784 -0.926 -21.084 -25.439 0.00 0.00 SOLV ATOM 11347 OH2 TIP3 1785 -4.142 -21.888 -31.982 0.00 0.00 SOLV ATOM 11348 H1 TIP3 1785 -4.545 -21.101 -31.545 0.00 0.00 SOLV ATOM 11349 H2 TIP3 1785 -3.516 -21.456 -32.547 0.00 0.00 SOLV ATOM 11350 OH2 TIP3 1786 2.410 -27.098 -14.799 0.00 0.00 SOLV ATOM 11351 H1 TIP3 1786 2.610 -26.148 -14.540 0.00 0.00 SOLV ATOM 11352 H2 TIP3 1786 1.991 -27.365 -13.987 0.00 0.00 SOLV ATOM 11353 OH2 TIP3 1787 -15.150 -0.571 -8.115 0.00 0.00 SOLV ATOM 11354 H1 TIP3 1787 -15.128 -1.571 -8.153 0.00 0.00 SOLV ATOM 11355 H2 TIP3 1787 -16.121 -0.430 -8.250 0.00 0.00 SOLV ATOM 11356 OH2 TIP3 1788 3.691 -15.522 -23.902 0.00 0.00 SOLV ATOM 11357 H1 TIP3 1788 4.426 -15.244 -23.284 0.00 0.00 SOLV ATOM 11358 H2 TIP3 1788 2.832 -15.279 -23.424 0.00 0.00 SOLV ATOM 11359 OH2 TIP3 1789 -3.374 -17.132 -1.371 0.00 0.00 SOLV ATOM 11360 H1 TIP3 1789 -4.009 -16.533 -1.053 0.00 0.00 SOLV ATOM 11361 H2 TIP3 1789 -3.593 -17.953 -0.851 0.00 0.00 SOLV ATOM 11362 OH2 TIP3 1790 14.460 8.440 34.359 0.00 0.00 SOLV ATOM 11363 H1 TIP3 1790 15.235 8.016 34.237 0.00 0.00 SOLV ATOM 11364 H2 TIP3 1790 14.371 8.444 35.299 0.00 0.00 SOLV ATOM 11365 OH2 TIP3 1791 15.940 -20.503 -18.248 0.00 0.00 SOLV ATOM 11366 H1 TIP3 1791 16.497 -21.215 -17.838 0.00 0.00 SOLV ATOM 11367 H2 TIP3 1791 16.644 -19.779 -18.267 0.00 0.00 SOLV ATOM 11368 OH2 TIP3 1792 11.682 -14.555 -3.529 0.00 0.00 SOLV ATOM 11369 H1 TIP3 1792 12.405 -14.009 -3.869 0.00 0.00 SOLV ATOM 11370 H2 TIP3 1792 11.013 -14.556 -4.206 0.00 0.00 SOLV ATOM 11371 OH2 TIP3 1793 9.941 -17.674 -6.648 0.00 0.00 SOLV ATOM 11372 H1 TIP3 1793 9.361 -17.973 -7.424 0.00 0.00 SOLV ATOM 11373 H2 TIP3 1793 9.229 -17.222 -6.118 0.00 0.00 SOLV ATOM 11374 OH2 TIP3 1794 -7.060 -15.070 -10.835 0.00 0.00 SOLV ATOM 11375 H1 TIP3 1794 -7.201 -15.941 -10.445 0.00 0.00 SOLV ATOM 11376 H2 TIP3 1794 -7.545 -15.196 -11.709 0.00 0.00 SOLV ATOM 11377 OH2 TIP3 1795 -9.521 -10.213 0.474 0.00 0.00 SOLV ATOM 11378 H1 TIP3 1795 -8.951 -11.058 0.568 0.00 0.00 SOLV ATOM 11379 H2 TIP3 1795 -9.381 -9.830 1.284 0.00 0.00 SOLV ATOM 11380 OH2 TIP3 1796 2.948 -8.782 -50.220 0.00 0.00 SOLV ATOM 11381 H1 TIP3 1796 2.232 -8.180 -50.392 0.00 0.00 SOLV ATOM 11382 H2 TIP3 1796 2.515 -9.565 -49.871 0.00 0.00 SOLV ATOM 11383 OH2 TIP3 1797 -12.435 2.591 -43.062 0.00 0.00 SOLV ATOM 11384 H1 TIP3 1797 -13.222 2.597 -43.609 0.00 0.00 SOLV ATOM 11385 H2 TIP3 1797 -12.404 3.509 -42.669 0.00 0.00 SOLV ATOM 11386 OH2 TIP3 1798 -7.939 -12.459 -37.929 0.00 0.00 SOLV ATOM 11387 H1 TIP3 1798 -8.833 -12.550 -38.238 0.00 0.00 SOLV ATOM 11388 H2 TIP3 1798 -7.741 -13.377 -37.668 0.00 0.00 SOLV ATOM 11389 OH2 TIP3 1799 -13.728 -10.360 -24.621 0.00 0.00 SOLV ATOM 11390 H1 TIP3 1799 -13.673 -9.532 -24.154 0.00 0.00 SOLV ATOM 11391 H2 TIP3 1799 -14.216 -10.928 -23.961 0.00 0.00 SOLV ATOM 11392 OH2 TIP3 1800 4.687 -17.696 -37.430 0.00 0.00 SOLV ATOM 11393 H1 TIP3 1800 4.922 -18.614 -37.184 0.00 0.00 SOLV ATOM 11394 H2 TIP3 1800 5.556 -17.336 -37.716 0.00 0.00 SOLV ATOM 11395 OH2 TIP3 1801 -7.831 -20.342 -16.675 0.00 0.00 SOLV ATOM 11396 H1 TIP3 1801 -8.176 -20.505 -15.808 0.00 0.00 SOLV ATOM 11397 H2 TIP3 1801 -7.094 -19.768 -16.603 0.00 0.00 SOLV ATOM 11398 OH2 TIP3 1802 4.583 -11.554 -32.223 0.00 0.00 SOLV ATOM 11399 H1 TIP3 1802 5.130 -12.134 -31.708 0.00 0.00 SOLV ATOM 11400 H2 TIP3 1802 4.304 -10.862 -31.653 0.00 0.00 SOLV ATOM 11401 OH2 TIP3 1803 5.343 -12.245 -13.570 0.00 0.00 SOLV ATOM 11402 H1 TIP3 1803 4.402 -12.108 -13.360 0.00 0.00 SOLV ATOM 11403 H2 TIP3 1803 5.401 -11.944 -14.513 0.00 0.00 SOLV ATOM 11404 OH2 TIP3 1804 -1.895 -10.539 -12.461 0.00 0.00 SOLV ATOM 11405 H1 TIP3 1804 -2.552 -10.911 -13.065 0.00 0.00 SOLV ATOM 11406 H2 TIP3 1804 -1.134 -10.529 -13.023 0.00 0.00 SOLV ATOM 11407 OH2 TIP3 1805 10.917 0.721 8.841 0.00 0.00 SOLV ATOM 11408 H1 TIP3 1805 10.758 1.095 7.964 0.00 0.00 SOLV ATOM 11409 H2 TIP3 1805 11.667 1.319 9.170 0.00 0.00 SOLV ATOM 11410 OH2 TIP3 1806 -0.736 -13.679 -27.347 0.00 0.00 SOLV ATOM 11411 H1 TIP3 1806 -0.329 -13.157 -26.674 0.00 0.00 SOLV ATOM 11412 H2 TIP3 1806 -1.422 -14.173 -26.826 0.00 0.00 SOLV ATOM 11413 OH2 TIP3 1807 13.576 17.871 -15.443 0.00 0.00 SOLV ATOM 11414 H1 TIP3 1807 14.513 18.158 -15.593 0.00 0.00 SOLV ATOM 11415 H2 TIP3 1807 13.333 18.215 -14.541 0.00 0.00 SOLV ATOM 11416 OH2 TIP3 1808 7.801 12.848 -12.152 0.00 0.00 SOLV ATOM 11417 H1 TIP3 1808 7.284 13.339 -12.879 0.00 0.00 SOLV ATOM 11418 H2 TIP3 1808 8.665 12.841 -12.482 0.00 0.00 SOLV ATOM 11419 OH2 TIP3 1809 -1.917 2.598 -42.240 0.00 0.00 SOLV ATOM 11420 H1 TIP3 1809 -1.781 1.628 -42.142 0.00 0.00 SOLV ATOM 11421 H2 TIP3 1809 -1.941 2.723 -43.210 0.00 0.00 SOLV ATOM 11422 OH2 TIP3 1810 -16.397 9.401 -15.253 0.00 0.00 SOLV ATOM 11423 H1 TIP3 1810 -16.459 8.442 -15.169 0.00 0.00 SOLV ATOM 11424 H2 TIP3 1810 -15.797 9.444 -16.044 0.00 0.00 SOLV ATOM 11425 OH2 TIP3 1811 3.810 -1.750 -43.213 0.00 0.00 SOLV ATOM 11426 H1 TIP3 1811 3.747 -1.107 -43.917 0.00 0.00 SOLV ATOM 11427 H2 TIP3 1811 3.405 -1.323 -42.489 0.00 0.00 SOLV ATOM 11428 OH2 TIP3 1812 -3.378 -5.394 -37.280 0.00 0.00 SOLV ATOM 11429 H1 TIP3 1812 -3.652 -6.037 -37.986 0.00 0.00 SOLV ATOM 11430 H2 TIP3 1812 -4.176 -5.005 -36.937 0.00 0.00 SOLV ATOM 11431 OH2 TIP3 1813 -10.923 -11.718 -33.898 0.00 0.00 SOLV ATOM 11432 H1 TIP3 1813 -11.473 -10.957 -34.020 0.00 0.00 SOLV ATOM 11433 H2 TIP3 1813 -10.064 -11.295 -33.750 0.00 0.00 SOLV ATOM 11434 OH2 TIP3 1814 3.851 -14.721 -17.614 0.00 0.00 SOLV ATOM 11435 H1 TIP3 1814 3.459 -15.021 -16.740 0.00 0.00 SOLV ATOM 11436 H2 TIP3 1814 3.960 -15.543 -18.160 0.00 0.00 SOLV ATOM 11437 OH2 TIP3 1815 16.884 -9.180 -38.702 0.00 0.00 SOLV ATOM 11438 H1 TIP3 1815 17.692 -8.598 -38.648 0.00 0.00 SOLV ATOM 11439 H2 TIP3 1815 16.663 -9.122 -39.634 0.00 0.00 SOLV ATOM 11440 OH2 TIP3 1816 -7.165 -17.202 -39.720 0.00 0.00 SOLV ATOM 11441 H1 TIP3 1816 -6.283 -17.222 -40.057 0.00 0.00 SOLV ATOM 11442 H2 TIP3 1816 -7.491 -18.051 -40.116 0.00 0.00 SOLV ATOM 11443 OH2 TIP3 1817 -19.925 -5.995 -25.153 0.00 0.00 SOLV ATOM 11444 H1 TIP3 1817 -20.573 -5.402 -24.759 0.00 0.00 SOLV ATOM 11445 H2 TIP3 1817 -20.351 -6.889 -24.992 0.00 0.00 SOLV ATOM 11446 OH2 TIP3 1818 -21.785 -28.120 17.680 0.00 0.00 SOLV ATOM 11447 H1 TIP3 1818 -21.946 -27.180 17.522 0.00 0.00 SOLV ATOM 11448 H2 TIP3 1818 -22.102 -28.347 18.552 0.00 0.00 SOLV ATOM 11449 OH2 TIP3 1819 8.479 3.639 -51.469 0.00 0.00 SOLV ATOM 11450 H1 TIP3 1819 9.142 3.137 -52.075 0.00 0.00 SOLV ATOM 11451 H2 TIP3 1819 8.863 4.482 -51.259 0.00 0.00 SOLV ATOM 11452 OH2 TIP3 1820 12.070 -4.419 -46.743 0.00 0.00 SOLV ATOM 11453 H1 TIP3 1820 12.587 -5.127 -46.439 0.00 0.00 SOLV ATOM 11454 H2 TIP3 1820 12.315 -3.629 -46.295 0.00 0.00 SOLV ATOM 11455 OH2 TIP3 1821 -1.487 15.930 -38.903 0.00 0.00 SOLV ATOM 11456 H1 TIP3 1821 -1.560 16.754 -39.465 0.00 0.00 SOLV ATOM 11457 H2 TIP3 1821 -0.542 15.938 -38.824 0.00 0.00 SOLV ATOM 11458 OH2 TIP3 1822 3.524 8.797 -45.591 0.00 0.00 SOLV ATOM 11459 H1 TIP3 1822 3.063 8.031 -45.160 0.00 0.00 SOLV ATOM 11460 H2 TIP3 1822 3.143 9.562 -45.131 0.00 0.00 SOLV ATOM 11461 OH2 TIP3 1823 2.185 -0.404 -38.981 0.00 0.00 SOLV ATOM 11462 H1 TIP3 1823 1.533 0.043 -38.391 0.00 0.00 SOLV ATOM 11463 H2 TIP3 1823 1.856 -0.228 -39.904 0.00 0.00 SOLV ATOM 11464 OH2 TIP3 1824 -5.184 14.482 8.499 0.00 0.00 SOLV ATOM 11465 H1 TIP3 1824 -6.088 14.252 8.113 0.00 0.00 SOLV ATOM 11466 H2 TIP3 1824 -5.367 15.291 8.967 0.00 0.00 SOLV ATOM 11467 OH2 TIP3 1825 -10.342 1.147 -28.068 0.00 0.00 SOLV ATOM 11468 H1 TIP3 1825 -10.542 1.376 -29.005 0.00 0.00 SOLV ATOM 11469 H2 TIP3 1825 -9.457 0.778 -28.130 0.00 0.00 SOLV ATOM 11470 OH2 TIP3 1826 21.214 0.641 -39.397 0.00 0.00 SOLV ATOM 11471 H1 TIP3 1826 20.329 0.367 -39.046 0.00 0.00 SOLV ATOM 11472 H2 TIP3 1826 21.197 0.172 -40.272 0.00 0.00 SOLV ATOM 11473 OH2 TIP3 1827 -2.476 -16.693 -37.774 0.00 0.00 SOLV ATOM 11474 H1 TIP3 1827 -2.403 -16.588 -36.775 0.00 0.00 SOLV ATOM 11475 H2 TIP3 1827 -3.308 -17.173 -37.888 0.00 0.00 SOLV ATOM 11476 OH2 TIP3 1828 -4.471 -6.359 12.124 0.00 0.00 SOLV ATOM 11477 H1 TIP3 1828 -3.748 -7.006 12.276 0.00 0.00 SOLV ATOM 11478 H2 TIP3 1828 -5.183 -6.779 12.651 0.00 0.00 SOLV ATOM 11479 OH2 TIP3 1829 -3.553 -13.118 -2.915 0.00 0.00 SOLV ATOM 11480 H1 TIP3 1829 -4.340 -13.715 -2.747 0.00 0.00 SOLV ATOM 11481 H2 TIP3 1829 -3.922 -12.393 -3.422 0.00 0.00 SOLV ATOM 11482 OH2 TIP3 1830 -13.040 -12.743 21.013 0.00 0.00 SOLV ATOM 11483 H1 TIP3 1830 -12.372 -12.198 20.556 0.00 0.00 SOLV ATOM 11484 H2 TIP3 1830 -12.582 -13.592 21.113 0.00 0.00 SOLV ATOM 11485 OH2 TIP3 1831 7.788 -7.363 0.382 0.00 0.00 SOLV ATOM 11486 H1 TIP3 1831 7.333 -7.914 -0.335 0.00 0.00 SOLV ATOM 11487 H2 TIP3 1831 7.049 -7.139 1.044 0.00 0.00 SOLV ATOM 11488 OH2 TIP3 1832 11.071 10.685 -49.379 0.00 0.00 SOLV ATOM 11489 H1 TIP3 1832 11.781 10.178 -49.935 0.00 0.00 SOLV ATOM 11490 H2 TIP3 1832 11.180 10.263 -48.525 0.00 0.00 SOLV ATOM 11491 OH2 TIP3 1833 -20.107 6.760 -32.441 0.00 0.00 SOLV ATOM 11492 H1 TIP3 1833 -20.885 6.093 -32.419 0.00 0.00 SOLV ATOM 11493 H2 TIP3 1833 -19.494 6.278 -33.022 0.00 0.00 SOLV ATOM 11494 OH2 TIP3 1834 4.764 7.512 7.816 0.00 0.00 SOLV ATOM 11495 H1 TIP3 1834 5.251 7.410 8.652 0.00 0.00 SOLV ATOM 11496 H2 TIP3 1834 4.160 6.733 7.816 0.00 0.00 SOLV ATOM 11497 OH2 TIP3 1835 11.996 -2.775 -50.088 0.00 0.00 SOLV ATOM 11498 H1 TIP3 1835 11.412 -2.571 -49.344 0.00 0.00 SOLV ATOM 11499 H2 TIP3 1835 12.234 -1.939 -50.414 0.00 0.00 SOLV ATOM 11500 OH2 TIP3 1836 -8.332 13.983 -33.007 0.00 0.00 SOLV ATOM 11501 H1 TIP3 1836 -8.101 13.666 -32.100 0.00 0.00 SOLV ATOM 11502 H2 TIP3 1836 -9.136 14.535 -32.784 0.00 0.00 SOLV ATOM 11503 OH2 TIP3 1837 1.333 -14.859 -19.526 0.00 0.00 SOLV ATOM 11504 H1 TIP3 1837 1.622 -15.184 -18.683 0.00 0.00 SOLV ATOM 11505 H2 TIP3 1837 0.537 -14.228 -19.293 0.00 0.00 SOLV ATOM 11506 OH2 TIP3 1838 -2.850 -0.976 -2.399 0.00 0.00 SOLV ATOM 11507 H1 TIP3 1838 -2.148 -1.002 -1.653 0.00 0.00 SOLV ATOM 11508 H2 TIP3 1838 -3.622 -0.635 -1.891 0.00 0.00 SOLV ATOM 11509 OH2 TIP3 1839 -17.183 15.480 4.952 0.00 0.00 SOLV ATOM 11510 H1 TIP3 1839 -16.193 15.552 4.923 0.00 0.00 SOLV ATOM 11511 H2 TIP3 1839 -17.392 14.990 5.775 0.00 0.00 SOLV ATOM 11512 OH2 TIP3 1840 -9.870 -9.050 -25.529 0.00 0.00 SOLV ATOM 11513 H1 TIP3 1840 -10.186 -9.903 -25.386 0.00 0.00 SOLV ATOM 11514 H2 TIP3 1840 -10.131 -8.870 -26.431 0.00 0.00 SOLV ATOM 11515 OH2 TIP3 1841 -6.585 1.314 -15.999 0.00 0.00 SOLV ATOM 11516 H1 TIP3 1841 -6.947 1.820 -15.222 0.00 0.00 SOLV ATOM 11517 H2 TIP3 1841 -7.322 0.735 -16.269 0.00 0.00 SOLV ATOM 11518 OH2 TIP3 1842 -27.046 3.961 12.671 0.00 0.00 SOLV ATOM 11519 H1 TIP3 1842 -27.983 3.822 12.733 0.00 0.00 SOLV ATOM 11520 H2 TIP3 1842 -26.700 3.892 13.591 0.00 0.00 SOLV ATOM 11521 OH2 TIP3 1843 27.355 1.296 -40.161 0.00 0.00 SOLV ATOM 11522 H1 TIP3 1843 27.132 0.802 -40.945 0.00 0.00 SOLV ATOM 11523 H2 TIP3 1843 28.226 0.964 -39.878 0.00 0.00 SOLV ATOM 11524 OH2 TIP3 1844 2.940 2.019 -51.298 0.00 0.00 SOLV ATOM 11525 H1 TIP3 1844 2.437 2.272 -50.529 0.00 0.00 SOLV ATOM 11526 H2 TIP3 1844 3.804 2.428 -51.242 0.00 0.00 SOLV ATOM 11527 OH2 TIP3 1845 1.865 16.291 -44.677 0.00 0.00 SOLV ATOM 11528 H1 TIP3 1845 1.175 16.735 -44.173 0.00 0.00 SOLV ATOM 11529 H2 TIP3 1845 1.856 16.818 -45.472 0.00 0.00 SOLV ATOM 11530 OH2 TIP3 1846 -16.051 4.294 -42.895 0.00 0.00 SOLV ATOM 11531 H1 TIP3 1846 -15.703 4.807 -42.144 0.00 0.00 SOLV ATOM 11532 H2 TIP3 1846 -16.055 5.015 -43.603 0.00 0.00 SOLV ATOM 11533 OH2 TIP3 1847 15.655 -8.494 -13.252 0.00 0.00 SOLV ATOM 11534 H1 TIP3 1847 15.202 -9.184 -12.733 0.00 0.00 SOLV ATOM 11535 H2 TIP3 1847 15.541 -8.861 -14.106 0.00 0.00 SOLV ATOM 11536 OH2 TIP3 1848 14.034 2.836 -52.813 0.00 0.00 SOLV ATOM 11537 H1 TIP3 1848 14.822 3.244 -53.252 0.00 0.00 SOLV ATOM 11538 H2 TIP3 1848 13.779 3.589 -52.163 0.00 0.00 SOLV ATOM 11539 OH2 TIP3 1849 6.445 -6.417 -53.425 0.00 0.00 SOLV ATOM 11540 H1 TIP3 1849 6.813 -5.785 -52.803 0.00 0.00 SOLV ATOM 11541 H2 TIP3 1849 7.029 -6.395 -54.182 0.00 0.00 SOLV ATOM 11542 OH2 TIP3 1850 -14.836 5.017 -34.422 0.00 0.00 SOLV ATOM 11543 H1 TIP3 1850 -14.025 4.620 -34.050 0.00 0.00 SOLV ATOM 11544 H2 TIP3 1850 -15.505 4.536 -33.922 0.00 0.00 SOLV ATOM 11545 OH2 TIP3 1851 -1.424 2.974 -35.834 0.00 0.00 SOLV ATOM 11546 H1 TIP3 1851 -2.189 3.584 -35.859 0.00 0.00 SOLV ATOM 11547 H2 TIP3 1851 -1.823 2.135 -35.611 0.00 0.00 SOLV ATOM 11548 OH2 TIP3 1852 2.219 6.088 -39.040 0.00 0.00 SOLV ATOM 11549 H1 TIP3 1852 2.469 6.757 -38.452 0.00 0.00 SOLV ATOM 11550 H2 TIP3 1852 3.058 5.477 -39.041 0.00 0.00 SOLV ATOM 11551 OH2 TIP3 1853 12.420 14.976 2.865 0.00 0.00 SOLV ATOM 11552 H1 TIP3 1853 13.371 14.934 2.755 0.00 0.00 SOLV ATOM 11553 H2 TIP3 1853 12.246 15.903 2.701 0.00 0.00 SOLV ATOM 11554 OH2 TIP3 1854 17.889 5.092 -6.533 0.00 0.00 SOLV ATOM 11555 H1 TIP3 1854 18.429 5.777 -6.080 0.00 0.00 SOLV ATOM 11556 H2 TIP3 1854 18.403 4.706 -7.271 0.00 0.00 SOLV ATOM 11557 OH2 TIP3 1855 27.287 9.590 -10.840 0.00 0.00 SOLV ATOM 11558 H1 TIP3 1855 27.146 9.826 -9.882 0.00 0.00 SOLV ATOM 11559 H2 TIP3 1855 26.673 10.037 -11.354 0.00 0.00 SOLV ATOM 11560 OH2 TIP3 1856 -4.968 10.239 -45.746 0.00 0.00 SOLV ATOM 11561 H1 TIP3 1856 -5.277 11.162 -45.527 0.00 0.00 SOLV ATOM 11562 H2 TIP3 1856 -5.733 9.733 -45.433 0.00 0.00 SOLV ATOM 11563 OH2 TIP3 1857 2.404 -1.716 -34.019 0.00 0.00 SOLV ATOM 11564 H1 TIP3 1857 2.698 -0.794 -34.049 0.00 0.00 SOLV ATOM 11565 H2 TIP3 1857 2.177 -1.989 -34.867 0.00 0.00 SOLV ATOM 11566 OH2 TIP3 1858 5.246 3.787 -46.521 0.00 0.00 SOLV ATOM 11567 H1 TIP3 1858 5.989 3.457 -47.140 0.00 0.00 SOLV ATOM 11568 H2 TIP3 1858 5.631 4.603 -46.317 0.00 0.00 SOLV ATOM 11569 OH2 TIP3 1859 5.503 22.394 -29.797 0.00 0.00 SOLV ATOM 11570 H1 TIP3 1859 5.932 22.919 -30.458 0.00 0.00 SOLV ATOM 11571 H2 TIP3 1859 5.015 21.751 -30.312 0.00 0.00 SOLV ATOM 11572 OH2 TIP3 1860 11.533 12.346 -12.417 0.00 0.00 SOLV ATOM 11573 H1 TIP3 1860 11.081 12.370 -13.221 0.00 0.00 SOLV ATOM 11574 H2 TIP3 1860 11.183 13.171 -11.959 0.00 0.00 SOLV ATOM 11575 OH2 TIP3 1861 3.625 -12.021 -25.577 0.00 0.00 SOLV ATOM 11576 H1 TIP3 1861 4.269 -12.750 -25.536 0.00 0.00 SOLV ATOM 11577 H2 TIP3 1861 4.014 -11.261 -25.815 0.00 0.00 SOLV ATOM 11578 OH2 TIP3 1862 22.390 -1.620 -5.319 0.00 0.00 SOLV ATOM 11579 H1 TIP3 1862 23.015 -1.900 -4.638 0.00 0.00 SOLV ATOM 11580 H2 TIP3 1862 21.546 -1.943 -4.999 0.00 0.00 SOLV ATOM 11581 OH2 TIP3 1863 -4.016 25.429 -13.556 0.00 0.00 SOLV ATOM 11582 H1 TIP3 1863 -4.088 25.289 -14.489 0.00 0.00 SOLV ATOM 11583 H2 TIP3 1863 -4.879 25.423 -13.216 0.00 0.00 SOLV ATOM 11584 OH2 TIP3 1864 2.052 10.663 -44.245 0.00 0.00 SOLV ATOM 11585 H1 TIP3 1864 1.837 11.421 -44.762 0.00 0.00 SOLV ATOM 11586 H2 TIP3 1864 1.391 10.593 -43.596 0.00 0.00 SOLV ATOM 11587 OH2 TIP3 1865 -7.493 13.533 -35.527 0.00 0.00 SOLV ATOM 11588 H1 TIP3 1865 -7.707 13.528 -34.573 0.00 0.00 SOLV ATOM 11589 H2 TIP3 1865 -6.528 13.347 -35.484 0.00 0.00 SOLV ATOM 11590 OH2 TIP3 1866 21.006 0.109 -16.678 0.00 0.00 SOLV ATOM 11591 H1 TIP3 1866 21.859 0.015 -16.167 0.00 0.00 SOLV ATOM 11592 H2 TIP3 1866 21.249 -0.308 -17.492 0.00 0.00 SOLV ATOM 11593 OH2 TIP3 1867 13.780 10.046 0.680 0.00 0.00 SOLV ATOM 11594 H1 TIP3 1867 12.914 10.473 0.894 0.00 0.00 SOLV ATOM 11595 H2 TIP3 1867 14.386 10.765 0.862 0.00 0.00 SOLV ATOM 11596 OH2 TIP3 1868 -0.185 -8.106 -19.956 0.00 0.00 SOLV ATOM 11597 H1 TIP3 1868 -0.769 -7.447 -20.396 0.00 0.00 SOLV ATOM 11598 H2 TIP3 1868 -0.302 -7.921 -18.978 0.00 0.00 SOLV ATOM 11599 OH2 TIP3 1869 7.085 3.218 -38.614 0.00 0.00 SOLV ATOM 11600 H1 TIP3 1869 7.339 3.311 -37.698 0.00 0.00 SOLV ATOM 11601 H2 TIP3 1869 7.451 2.314 -38.827 0.00 0.00 SOLV ATOM 11602 OH2 TIP3 1870 -10.464 23.009 -6.869 0.00 0.00 SOLV ATOM 11603 H1 TIP3 1870 -10.567 23.819 -7.405 0.00 0.00 SOLV ATOM 11604 H2 TIP3 1870 -10.028 23.305 -6.070 0.00 0.00 SOLV ATOM 11605 OH2 TIP3 1871 8.881 15.976 -42.361 0.00 0.00 SOLV ATOM 11606 H1 TIP3 1871 8.999 15.944 -41.417 0.00 0.00 SOLV ATOM 11607 H2 TIP3 1871 9.640 16.539 -42.685 0.00 0.00 SOLV ATOM 11608 OH2 TIP3 1872 -6.857 6.195 -41.565 0.00 0.00 SOLV ATOM 11609 H1 TIP3 1872 -7.850 6.297 -41.375 0.00 0.00 SOLV ATOM 11610 H2 TIP3 1872 -6.608 6.967 -42.054 0.00 0.00 SOLV ATOM 11611 OH2 TIP3 1873 -21.780 13.731 -14.541 0.00 0.00 SOLV ATOM 11612 H1 TIP3 1873 -22.152 13.250 -13.729 0.00 0.00 SOLV ATOM 11613 H2 TIP3 1873 -20.842 13.582 -14.355 0.00 0.00 SOLV ATOM 11614 OH2 TIP3 1874 7.762 2.623 -14.846 0.00 0.00 SOLV ATOM 11615 H1 TIP3 1874 8.204 3.496 -14.572 0.00 0.00 SOLV ATOM 11616 H2 TIP3 1874 8.477 2.005 -14.980 0.00 0.00 SOLV ATOM 11617 OH2 TIP3 1875 -17.639 -28.003 14.368 0.00 0.00 SOLV ATOM 11618 H1 TIP3 1875 -18.027 -27.621 15.180 0.00 0.00 SOLV ATOM 11619 H2 TIP3 1875 -18.392 -28.038 13.820 0.00 0.00 SOLV ATOM 11620 OH2 TIP3 1876 16.636 13.174 -1.977 0.00 0.00 SOLV ATOM 11621 H1 TIP3 1876 16.867 13.181 -2.909 0.00 0.00 SOLV ATOM 11622 H2 TIP3 1876 15.767 12.692 -2.112 0.00 0.00 SOLV ATOM 11623 OH2 TIP3 1877 15.021 0.195 -50.806 0.00 0.00 SOLV ATOM 11624 H1 TIP3 1877 15.645 0.667 -51.410 0.00 0.00 SOLV ATOM 11625 H2 TIP3 1877 15.549 -0.196 -50.141 0.00 0.00 SOLV ATOM 11626 OH2 TIP3 1878 28.190 13.371 -16.161 0.00 0.00 SOLV ATOM 11627 H1 TIP3 1878 27.418 12.903 -16.552 0.00 0.00 SOLV ATOM 11628 H2 TIP3 1878 28.099 14.295 -16.501 0.00 0.00 SOLV ATOM 11629 OH2 TIP3 1879 -7.073 11.973 -38.465 0.00 0.00 SOLV ATOM 11630 H1 TIP3 1879 -6.436 11.719 -37.757 0.00 0.00 SOLV ATOM 11631 H2 TIP3 1879 -7.229 11.178 -38.964 0.00 0.00 SOLV ATOM 11632 OH2 TIP3 1880 9.959 8.519 -2.207 0.00 0.00 SOLV ATOM 11633 H1 TIP3 1880 9.017 8.423 -1.815 0.00 0.00 SOLV ATOM 11634 H2 TIP3 1880 10.305 7.634 -2.005 0.00 0.00 SOLV ATOM 11635 OH2 TIP3 1881 7.426 12.274 -49.756 0.00 0.00 SOLV ATOM 11636 H1 TIP3 1881 8.065 12.109 -50.416 0.00 0.00 SOLV ATOM 11637 H2 TIP3 1881 7.445 11.425 -49.253 0.00 0.00 SOLV ATOM 11638 OH2 TIP3 1882 7.235 16.580 -39.167 0.00 0.00 SOLV ATOM 11639 H1 TIP3 1882 7.295 17.595 -39.074 0.00 0.00 SOLV ATOM 11640 H2 TIP3 1882 6.474 16.454 -39.698 0.00 0.00 SOLV ATOM 11641 OH2 TIP3 1883 8.717 -31.050 6.611 0.00 0.00 SOLV ATOM 11642 H1 TIP3 1883 9.470 -31.057 6.026 0.00 0.00 SOLV ATOM 11643 H2 TIP3 1883 8.903 -31.803 7.167 0.00 0.00 SOLV ATOM 11644 OH2 TIP3 1884 0.434 -21.574 -22.445 0.00 0.00 SOLV ATOM 11645 H1 TIP3 1884 1.354 -21.748 -22.629 0.00 0.00 SOLV ATOM 11646 H2 TIP3 1884 0.039 -21.354 -23.290 0.00 0.00 SOLV ATOM 11647 OH2 TIP3 1885 -11.570 -28.613 -23.784 0.00 0.00 SOLV ATOM 11648 H1 TIP3 1885 -11.571 -27.622 -23.934 0.00 0.00 SOLV ATOM 11649 H2 TIP3 1885 -10.842 -28.862 -24.363 0.00 0.00 SOLV ATOM 11650 OH2 TIP3 1886 -0.321 -16.767 -27.930 0.00 0.00 SOLV ATOM 11651 H1 TIP3 1886 -0.428 -17.096 -26.998 0.00 0.00 SOLV ATOM 11652 H2 TIP3 1886 -0.676 -15.822 -27.784 0.00 0.00 SOLV ATOM 11653 OH2 TIP3 1887 -0.500 -17.758 -14.668 0.00 0.00 SOLV ATOM 11654 H1 TIP3 1887 -1.429 -17.935 -14.522 0.00 0.00 SOLV ATOM 11655 H2 TIP3 1887 0.007 -18.526 -14.393 0.00 0.00 SOLV ATOM 11656 OH2 TIP3 1888 -6.420 -21.902 2.725 0.00 0.00 SOLV ATOM 11657 H1 TIP3 1888 -7.056 -21.292 3.061 0.00 0.00 SOLV ATOM 11658 H2 TIP3 1888 -6.929 -22.431 2.044 0.00 0.00 SOLV ATOM 11659 OH2 TIP3 1889 7.941 -28.270 3.113 0.00 0.00 SOLV ATOM 11660 H1 TIP3 1889 7.336 -28.674 2.501 0.00 0.00 SOLV ATOM 11661 H2 TIP3 1889 8.605 -28.981 3.310 0.00 0.00 SOLV ATOM 11662 OH2 TIP3 1890 4.552 -21.689 -9.491 0.00 0.00 SOLV ATOM 11663 H1 TIP3 1890 5.436 -21.507 -9.664 0.00 0.00 SOLV ATOM 11664 H2 TIP3 1890 4.257 -20.821 -9.369 0.00 0.00 SOLV ATOM 11665 OH2 TIP3 1891 3.802 -14.680 -9.063 0.00 0.00 SOLV ATOM 11666 H1 TIP3 1891 3.953 -13.890 -8.544 0.00 0.00 SOLV ATOM 11667 H2 TIP3 1891 4.740 -14.828 -9.327 0.00 0.00 SOLV ATOM 11668 OH2 TIP3 1892 -4.483 -27.161 -13.099 0.00 0.00 SOLV ATOM 11669 H1 TIP3 1892 -4.793 -27.559 -13.902 0.00 0.00 SOLV ATOM 11670 H2 TIP3 1892 -4.024 -27.953 -12.784 0.00 0.00 SOLV ATOM 11671 OH2 TIP3 1893 7.419 -26.149 -2.023 0.00 0.00 SOLV ATOM 11672 H1 TIP3 1893 7.519 -25.635 -1.168 0.00 0.00 SOLV ATOM 11673 H2 TIP3 1893 8.042 -25.814 -2.617 0.00 0.00 SOLV ATOM 11674 OH2 TIP3 1894 -5.745 -11.385 -39.139 0.00 0.00 SOLV ATOM 11675 H1 TIP3 1894 -5.363 -12.286 -39.125 0.00 0.00 SOLV ATOM 11676 H2 TIP3 1894 -6.654 -11.513 -38.863 0.00 0.00 SOLV ATOM 11677 OH2 TIP3 1895 0.554 -1.274 3.434 0.00 0.00 SOLV ATOM 11678 H1 TIP3 1895 1.218 -1.737 2.969 0.00 0.00 SOLV ATOM 11679 H2 TIP3 1895 -0.182 -1.829 3.313 0.00 0.00 SOLV ATOM 11680 OH2 TIP3 1896 0.773 -20.476 -25.301 0.00 0.00 SOLV ATOM 11681 H1 TIP3 1896 1.283 -20.176 -26.058 0.00 0.00 SOLV ATOM 11682 H2 TIP3 1896 0.594 -19.617 -24.820 0.00 0.00 SOLV ATOM 11683 OH2 TIP3 1897 1.394 -17.870 -6.934 0.00 0.00 SOLV ATOM 11684 H1 TIP3 1897 2.209 -17.430 -6.650 0.00 0.00 SOLV ATOM 11685 H2 TIP3 1897 0.949 -18.208 -6.108 0.00 0.00 SOLV ATOM 11686 OH2 TIP3 1898 2.982 -21.849 -6.852 0.00 0.00 SOLV ATOM 11687 H1 TIP3 1898 3.363 -21.942 -7.729 0.00 0.00 SOLV ATOM 11688 H2 TIP3 1898 2.242 -22.452 -6.904 0.00 0.00 SOLV ATOM 11689 OH2 TIP3 1899 6.243 -15.067 -10.276 0.00 0.00 SOLV ATOM 11690 H1 TIP3 1899 7.149 -14.975 -9.834 0.00 0.00 SOLV ATOM 11691 H2 TIP3 1899 6.065 -15.951 -10.150 0.00 0.00 SOLV ATOM 11692 OH2 TIP3 1900 7.184 -23.246 3.450 0.00 0.00 SOLV ATOM 11693 H1 TIP3 1900 8.068 -23.114 3.195 0.00 0.00 SOLV ATOM 11694 H2 TIP3 1900 6.877 -24.022 3.026 0.00 0.00 SOLV ATOM 11695 OH2 TIP3 1901 -1.670 -27.512 3.372 0.00 0.00 SOLV ATOM 11696 H1 TIP3 1901 -2.393 -27.321 2.738 0.00 0.00 SOLV ATOM 11697 H2 TIP3 1901 -1.181 -28.262 2.944 0.00 0.00 SOLV ATOM 11698 OH2 TIP3 1902 -7.259 -30.292 6.696 0.00 0.00 SOLV ATOM 11699 H1 TIP3 1902 -6.422 -30.603 6.310 0.00 0.00 SOLV ATOM 11700 H2 TIP3 1902 -7.784 -30.064 5.919 0.00 0.00 SOLV ATOM 11701 OH2 TIP3 1903 -3.585 -20.551 -38.750 0.00 0.00 SOLV ATOM 11702 H1 TIP3 1903 -4.568 -20.740 -38.793 0.00 0.00 SOLV ATOM 11703 H2 TIP3 1903 -3.305 -20.591 -39.641 0.00 0.00 SOLV ATOM 11704 OH2 TIP3 1904 -0.341 -20.322 -35.112 0.00 0.00 SOLV ATOM 11705 H1 TIP3 1904 -0.908 -20.122 -35.882 0.00 0.00 SOLV ATOM 11706 H2 TIP3 1904 -0.076 -19.429 -34.909 0.00 0.00 SOLV ATOM 11707 OH2 TIP3 1905 -8.530 -16.434 -35.441 0.00 0.00 SOLV ATOM 11708 H1 TIP3 1905 -9.416 -16.403 -35.908 0.00 0.00 SOLV ATOM 11709 H2 TIP3 1905 -8.804 -16.590 -34.467 0.00 0.00 SOLV ATOM 11710 OH2 TIP3 1906 12.585 -19.803 -38.940 0.00 0.00 SOLV ATOM 11711 H1 TIP3 1906 12.658 -20.713 -39.121 0.00 0.00 SOLV ATOM 11712 H2 TIP3 1906 13.335 -19.513 -39.453 0.00 0.00 SOLV ATOM 11713 OH2 TIP3 1907 10.027 -16.798 -23.885 0.00 0.00 SOLV ATOM 11714 H1 TIP3 1907 9.097 -16.638 -24.193 0.00 0.00 SOLV ATOM 11715 H2 TIP3 1907 10.584 -16.579 -24.679 0.00 0.00 SOLV ATOM 11716 OH2 TIP3 1908 -7.570 -23.041 -22.931 0.00 0.00 SOLV ATOM 11717 H1 TIP3 1908 -8.251 -23.668 -22.750 0.00 0.00 SOLV ATOM 11718 H2 TIP3 1908 -7.552 -22.966 -23.869 0.00 0.00 SOLV ATOM 11719 OH2 TIP3 1909 -13.602 8.644 -14.072 0.00 0.00 SOLV ATOM 11720 H1 TIP3 1909 -13.340 9.126 -14.836 0.00 0.00 SOLV ATOM 11721 H2 TIP3 1909 -14.462 8.205 -14.339 0.00 0.00 SOLV ATOM 11722 OH2 TIP3 1910 -5.063 -25.412 -9.884 0.00 0.00 SOLV ATOM 11723 H1 TIP3 1910 -5.368 -24.840 -9.133 0.00 0.00 SOLV ATOM 11724 H2 TIP3 1910 -4.252 -25.046 -10.183 0.00 0.00 SOLV ATOM 11725 OH2 TIP3 1911 14.140 -19.315 -0.354 0.00 0.00 SOLV ATOM 11726 H1 TIP3 1911 13.475 -19.671 0.284 0.00 0.00 SOLV ATOM 11727 H2 TIP3 1911 13.601 -18.652 -0.677 0.00 0.00 SOLV ATOM 11728 OH2 TIP3 1912 4.831 -21.293 3.069 0.00 0.00 SOLV ATOM 11729 H1 TIP3 1912 4.179 -21.226 2.395 0.00 0.00 SOLV ATOM 11730 H2 TIP3 1912 5.665 -21.404 2.619 0.00 0.00 SOLV ATOM 11731 OH2 TIP3 1913 -4.289 -11.453 -13.604 0.00 0.00 SOLV ATOM 11732 H1 TIP3 1913 -5.175 -11.524 -14.024 0.00 0.00 SOLV ATOM 11733 H2 TIP3 1913 -4.404 -12.110 -12.931 0.00 0.00 SOLV ATOM 11734 OH2 TIP3 1914 -1.342 -10.316 -21.324 0.00 0.00 SOLV ATOM 11735 H1 TIP3 1914 -1.657 -10.221 -20.423 0.00 0.00 SOLV ATOM 11736 H2 TIP3 1914 -0.758 -9.563 -21.277 0.00 0.00 SOLV ATOM 11737 OH2 TIP3 1915 15.399 -18.270 -34.206 0.00 0.00 SOLV ATOM 11738 H1 TIP3 1915 14.706 -18.252 -33.489 0.00 0.00 SOLV ATOM 11739 H2 TIP3 1915 15.080 -17.723 -34.973 0.00 0.00 SOLV ATOM 11740 OH2 TIP3 1916 -3.519 -19.631 -29.129 0.00 0.00 SOLV ATOM 11741 H1 TIP3 1916 -4.098 -19.180 -29.777 0.00 0.00 SOLV ATOM 11742 H2 TIP3 1916 -2.666 -19.742 -29.647 0.00 0.00 SOLV ATOM 11743 OH2 TIP3 1917 1.609 -18.425 -20.255 0.00 0.00 SOLV ATOM 11744 H1 TIP3 1917 1.432 -17.519 -20.120 0.00 0.00 SOLV ATOM 11745 H2 TIP3 1917 0.819 -18.792 -20.718 0.00 0.00 SOLV ATOM 11746 OH2 TIP3 1918 1.604 -16.325 7.081 0.00 0.00 SOLV ATOM 11747 H1 TIP3 1918 0.820 -15.742 7.191 0.00 0.00 SOLV ATOM 11748 H2 TIP3 1918 1.169 -17.204 7.127 0.00 0.00 SOLV ATOM 11749 OH2 TIP3 1919 -4.887 -22.481 -5.620 0.00 0.00 SOLV ATOM 11750 H1 TIP3 1919 -4.494 -23.203 -6.093 0.00 0.00 SOLV ATOM 11751 H2 TIP3 1919 -4.951 -22.777 -4.702 0.00 0.00 SOLV ATOM 11752 OH2 TIP3 1920 3.390 -1.793 6.041 0.00 0.00 SOLV ATOM 11753 H1 TIP3 1920 2.693 -1.390 5.652 0.00 0.00 SOLV ATOM 11754 H2 TIP3 1920 4.106 -1.576 5.430 0.00 0.00 SOLV ATOM 11755 OH2 TIP3 1921 21.461 -15.814 -7.915 0.00 0.00 SOLV ATOM 11756 H1 TIP3 1921 22.327 -15.483 -7.958 0.00 0.00 SOLV ATOM 11757 H2 TIP3 1921 21.200 -15.747 -6.993 0.00 0.00 SOLV ATOM 11758 OH2 TIP3 1922 2.834 -20.802 -11.772 0.00 0.00 SOLV ATOM 11759 H1 TIP3 1922 3.052 -19.872 -11.567 0.00 0.00 SOLV ATOM 11760 H2 TIP3 1922 3.671 -21.287 -11.735 0.00 0.00 SOLV ATOM 11761 OH2 TIP3 1923 9.108 -14.292 2.966 0.00 0.00 SOLV ATOM 11762 H1 TIP3 1923 9.375 -14.393 3.904 0.00 0.00 SOLV ATOM 11763 H2 TIP3 1923 9.904 -14.089 2.415 0.00 0.00 SOLV ATOM 11764 OH2 TIP3 1924 11.825 -15.263 3.115 0.00 0.00 SOLV ATOM 11765 H1 TIP3 1924 12.013 -14.404 3.485 0.00 0.00 SOLV ATOM 11766 H2 TIP3 1924 11.439 -15.008 2.242 0.00 0.00 SOLV ATOM 11767 OH2 TIP3 1925 0.264 -27.457 -7.826 0.00 0.00 SOLV ATOM 11768 H1 TIP3 1925 0.051 -26.604 -7.411 0.00 0.00 SOLV ATOM 11769 H2 TIP3 1925 1.165 -27.269 -8.127 0.00 0.00 SOLV ATOM 11770 OH2 TIP3 1926 4.271 -12.689 -40.594 0.00 0.00 SOLV ATOM 11771 H1 TIP3 1926 3.896 -11.796 -40.865 0.00 0.00 SOLV ATOM 11772 H2 TIP3 1926 3.512 -13.112 -40.144 0.00 0.00 SOLV ATOM 11773 OH2 TIP3 1927 9.972 -24.045 5.114 0.00 0.00 SOLV ATOM 11774 H1 TIP3 1927 10.029 -24.623 4.324 0.00 0.00 SOLV ATOM 11775 H2 TIP3 1927 9.125 -23.622 4.946 0.00 0.00 SOLV ATOM 11776 OH2 TIP3 1928 9.932 -8.013 2.156 0.00 0.00 SOLV ATOM 11777 H1 TIP3 1928 9.128 -7.843 1.596 0.00 0.00 SOLV ATOM 11778 H2 TIP3 1928 9.802 -8.950 2.530 0.00 0.00 SOLV ATOM 11779 OH2 TIP3 1929 1.845 -18.483 -28.759 0.00 0.00 SOLV ATOM 11780 H1 TIP3 1929 1.812 -18.964 -29.613 0.00 0.00 SOLV ATOM 11781 H2 TIP3 1929 0.955 -18.029 -28.753 0.00 0.00 SOLV ATOM 11782 OH2 TIP3 1930 3.537 -15.872 -35.632 0.00 0.00 SOLV ATOM 11783 H1 TIP3 1930 4.385 -15.850 -35.121 0.00 0.00 SOLV ATOM 11784 H2 TIP3 1930 3.660 -16.707 -36.180 0.00 0.00 SOLV ATOM 11785 OH2 TIP3 1931 4.640 -17.801 -33.356 0.00 0.00 SOLV ATOM 11786 H1 TIP3 1931 5.226 -17.245 -33.893 0.00 0.00 SOLV ATOM 11787 H2 TIP3 1931 4.895 -17.534 -32.488 0.00 0.00 SOLV ATOM 11788 OH2 TIP3 1932 3.860 -18.923 -27.000 0.00 0.00 SOLV ATOM 11789 H1 TIP3 1932 3.219 -18.455 -27.555 0.00 0.00 SOLV ATOM 11790 H2 TIP3 1932 3.808 -18.377 -26.196 0.00 0.00 SOLV ATOM 11791 OH2 TIP3 1933 2.547 -17.849 -24.721 0.00 0.00 SOLV ATOM 11792 H1 TIP3 1933 1.601 -17.616 -24.650 0.00 0.00 SOLV ATOM 11793 H2 TIP3 1933 2.977 -17.066 -24.448 0.00 0.00 SOLV ATOM 11794 OH2 TIP3 1934 11.584 -9.706 -30.387 0.00 0.00 SOLV ATOM 11795 H1 TIP3 1934 11.311 -10.056 -31.217 0.00 0.00 SOLV ATOM 11796 H2 TIP3 1934 12.355 -10.254 -30.149 0.00 0.00 SOLV ATOM 11797 OH2 TIP3 1935 14.904 -9.818 -37.063 0.00 0.00 SOLV ATOM 11798 H1 TIP3 1935 15.760 -9.617 -37.539 0.00 0.00 SOLV ATOM 11799 H2 TIP3 1935 14.395 -9.016 -37.156 0.00 0.00 SOLV ATOM 11800 OH2 TIP3 1936 9.506 -19.789 -1.563 0.00 0.00 SOLV ATOM 11801 H1 TIP3 1936 9.062 -19.902 -2.410 0.00 0.00 SOLV ATOM 11802 H2 TIP3 1936 9.480 -18.866 -1.297 0.00 0.00 SOLV ATOM 11803 OH2 TIP3 1937 14.916 -13.912 -45.710 0.00 0.00 SOLV ATOM 11804 H1 TIP3 1937 14.791 -14.798 -46.095 0.00 0.00 SOLV ATOM 11805 H2 TIP3 1937 14.778 -14.028 -44.791 0.00 0.00 SOLV ATOM 11806 OH2 TIP3 1938 7.340 -12.450 -38.903 0.00 0.00 SOLV ATOM 11807 H1 TIP3 1938 6.352 -12.389 -38.730 0.00 0.00 SOLV ATOM 11808 H2 TIP3 1938 7.814 -11.569 -38.729 0.00 0.00 SOLV ATOM 11809 OH2 TIP3 1939 5.455 -8.290 -38.483 0.00 0.00 SOLV ATOM 11810 H1 TIP3 1939 4.863 -8.585 -37.821 0.00 0.00 SOLV ATOM 11811 H2 TIP3 1939 6.292 -8.094 -38.008 0.00 0.00 SOLV ATOM 11812 OH2 TIP3 1940 6.300 -13.365 -30.575 0.00 0.00 SOLV ATOM 11813 H1 TIP3 1940 6.408 -13.583 -31.542 0.00 0.00 SOLV ATOM 11814 H2 TIP3 1940 6.945 -13.890 -30.144 0.00 0.00 SOLV ATOM 11815 OH2 TIP3 1941 -4.901 -17.959 -37.460 0.00 0.00 SOLV ATOM 11816 H1 TIP3 1941 -5.147 -18.456 -38.247 0.00 0.00 SOLV ATOM 11817 H2 TIP3 1941 -5.603 -18.037 -36.832 0.00 0.00 SOLV ATOM 11818 OH2 TIP3 1942 21.324 -8.303 -7.680 0.00 0.00 SOLV ATOM 11819 H1 TIP3 1942 21.590 -7.438 -7.424 0.00 0.00 SOLV ATOM 11820 H2 TIP3 1942 20.460 -8.131 -8.078 0.00 0.00 SOLV ATOM 11821 OH2 TIP3 1943 4.140 -24.777 -3.753 0.00 0.00 SOLV ATOM 11822 H1 TIP3 1943 3.418 -24.416 -3.192 0.00 0.00 SOLV ATOM 11823 H2 TIP3 1943 4.792 -24.035 -3.956 0.00 0.00 SOLV ATOM 11824 OH2 TIP3 1944 1.053 -9.816 4.053 0.00 0.00 SOLV ATOM 11825 H1 TIP3 1944 1.179 -10.464 4.762 0.00 0.00 SOLV ATOM 11826 H2 TIP3 1944 0.088 -9.802 3.929 0.00 0.00 SOLV ATOM 11827 OH2 TIP3 1945 1.534 -28.218 -12.462 0.00 0.00 SOLV ATOM 11828 H1 TIP3 1945 0.653 -27.917 -12.265 0.00 0.00 SOLV ATOM 11829 H2 TIP3 1945 1.888 -28.448 -11.605 0.00 0.00 SOLV ATOM 11830 OH2 TIP3 1946 3.031 -10.292 -5.579 0.00 0.00 SOLV ATOM 11831 H1 TIP3 1946 3.267 -9.719 -4.774 0.00 0.00 SOLV ATOM 11832 H2 TIP3 1946 3.895 -10.647 -5.780 0.00 0.00 SOLV ATOM 11833 OH2 TIP3 1947 6.294 -9.555 -27.578 0.00 0.00 SOLV ATOM 11834 H1 TIP3 1947 7.266 -9.674 -27.272 0.00 0.00 SOLV ATOM 11835 H2 TIP3 1947 5.815 -9.075 -26.849 0.00 0.00 SOLV ATOM 11836 OH2 TIP3 1948 6.991 17.699 -35.205 0.00 0.00 SOLV ATOM 11837 H1 TIP3 1948 6.986 17.317 -34.299 0.00 0.00 SOLV ATOM 11838 H2 TIP3 1948 6.159 17.261 -35.575 0.00 0.00 SOLV ATOM 11839 OH2 TIP3 1949 -7.345 4.569 -37.244 0.00 0.00 SOLV ATOM 11840 H1 TIP3 1949 -6.916 4.322 -38.080 0.00 0.00 SOLV ATOM 11841 H2 TIP3 1949 -6.968 5.446 -37.031 0.00 0.00 SOLV ATOM 11842 OH2 TIP3 1950 6.511 -10.673 -18.763 0.00 0.00 SOLV ATOM 11843 H1 TIP3 1950 7.339 -11.068 -18.483 0.00 0.00 SOLV ATOM 11844 H2 TIP3 1950 6.752 -10.086 -19.448 0.00 0.00 SOLV ATOM 11845 OH2 TIP3 1951 8.379 -17.512 -27.978 0.00 0.00 SOLV ATOM 11846 H1 TIP3 1951 9.117 -17.176 -27.449 0.00 0.00 SOLV ATOM 11847 H2 TIP3 1951 8.240 -16.688 -28.596 0.00 0.00 SOLV ATOM 11848 OH2 TIP3 1952 -6.474 -8.819 -39.973 0.00 0.00 SOLV ATOM 11849 H1 TIP3 1952 -5.875 -9.478 -39.587 0.00 0.00 SOLV ATOM 11850 H2 TIP3 1952 -7.002 -9.197 -40.710 0.00 0.00 SOLV ATOM 11851 OH2 TIP3 1953 -2.534 -15.136 -25.957 0.00 0.00 SOLV ATOM 11852 H1 TIP3 1953 -3.158 -15.733 -26.400 0.00 0.00 SOLV ATOM 11853 H2 TIP3 1953 -2.725 -15.247 -24.997 0.00 0.00 SOLV ATOM 11854 OH2 TIP3 1954 6.516 19.687 -22.996 0.00 0.00 SOLV ATOM 11855 H1 TIP3 1954 7.376 19.656 -22.454 0.00 0.00 SOLV ATOM 11856 H2 TIP3 1954 6.017 18.976 -22.644 0.00 0.00 SOLV ATOM 11857 OH2 TIP3 1955 -9.169 -19.968 -3.552 0.00 0.00 SOLV ATOM 11858 H1 TIP3 1955 -9.762 -19.790 -2.855 0.00 0.00 SOLV ATOM 11859 H2 TIP3 1955 -9.806 -20.158 -4.261 0.00 0.00 SOLV ATOM 11860 OH2 TIP3 1956 12.490 -5.473 0.049 0.00 0.00 SOLV ATOM 11861 H1 TIP3 1956 11.521 -5.330 -0.002 0.00 0.00 SOLV ATOM 11862 H2 TIP3 1956 12.829 -4.672 0.383 0.00 0.00 SOLV ATOM 11863 OH2 TIP3 1957 4.957 26.043 -5.093 0.00 0.00 SOLV ATOM 11864 H1 TIP3 1957 5.970 26.003 -5.365 0.00 0.00 SOLV ATOM 11865 H2 TIP3 1957 4.583 26.552 -5.801 0.00 0.00 SOLV ATOM 11866 OH2 TIP3 1958 -1.308 1.181 -31.770 0.00 0.00 SOLV ATOM 11867 H1 TIP3 1958 -0.655 1.876 -31.964 0.00 0.00 SOLV ATOM 11868 H2 TIP3 1958 -2.096 1.431 -32.288 0.00 0.00 SOLV ATOM 11869 OH2 TIP3 1959 3.331 6.299 -44.474 0.00 0.00 SOLV ATOM 11870 H1 TIP3 1959 2.861 6.396 -43.649 0.00 0.00 SOLV ATOM 11871 H2 TIP3 1959 4.160 5.787 -44.282 0.00 0.00 SOLV ATOM 11872 OH2 TIP3 1960 0.922 -6.901 -50.180 0.00 0.00 SOLV ATOM 11873 H1 TIP3 1960 0.828 -6.600 -51.141 0.00 0.00 SOLV ATOM 11874 H2 TIP3 1960 1.057 -6.046 -49.699 0.00 0.00 SOLV ATOM 11875 OH2 TIP3 1961 17.249 12.817 -50.284 0.00 0.00 SOLV ATOM 11876 H1 TIP3 1961 17.445 12.083 -49.599 0.00 0.00 SOLV ATOM 11877 H2 TIP3 1961 16.790 12.366 -51.035 0.00 0.00 SOLV ATOM 11878 OH2 TIP3 1962 1.141 7.060 -34.629 0.00 0.00 SOLV ATOM 11879 H1 TIP3 1962 0.274 6.873 -35.094 0.00 0.00 SOLV ATOM 11880 H2 TIP3 1962 1.179 6.272 -34.104 0.00 0.00 SOLV ATOM 11881 OH2 TIP3 1963 -0.968 -12.675 -1.319 0.00 0.00 SOLV ATOM 11882 H1 TIP3 1963 -1.615 -12.737 -2.038 0.00 0.00 SOLV ATOM 11883 H2 TIP3 1963 -0.855 -13.611 -1.119 0.00 0.00 SOLV ATOM 11884 OH2 TIP3 1964 18.752 -11.947 -19.721 0.00 0.00 SOLV ATOM 11885 H1 TIP3 1964 18.407 -11.610 -20.576 0.00 0.00 SOLV ATOM 11886 H2 TIP3 1964 18.729 -12.862 -19.855 0.00 0.00 SOLV ATOM 11887 OH2 TIP3 1965 2.659 19.012 -21.328 0.00 0.00 SOLV ATOM 11888 H1 TIP3 1965 3.516 18.546 -21.244 0.00 0.00 SOLV ATOM 11889 H2 TIP3 1965 2.904 19.929 -21.332 0.00 0.00 SOLV ATOM 11890 OH2 TIP3 1966 10.073 -2.715 -0.651 0.00 0.00 SOLV ATOM 11891 H1 TIP3 1966 9.263 -2.334 -0.380 0.00 0.00 SOLV ATOM 11892 H2 TIP3 1966 10.027 -3.623 -0.334 0.00 0.00 SOLV ATOM 11893 OH2 TIP3 1967 12.340 -8.982 4.193 0.00 0.00 SOLV ATOM 11894 H1 TIP3 1967 11.419 -9.268 4.377 0.00 0.00 SOLV ATOM 11895 H2 TIP3 1967 12.793 -9.450 4.871 0.00 0.00 SOLV ATOM 11896 OH2 TIP3 1968 1.311 -6.390 8.825 0.00 0.00 SOLV ATOM 11897 H1 TIP3 1968 0.523 -6.382 9.402 0.00 0.00 SOLV ATOM 11898 H2 TIP3 1968 1.738 -7.165 9.139 0.00 0.00 SOLV ATOM 11899 OH2 TIP3 1969 20.332 -2.629 -47.316 0.00 0.00 SOLV ATOM 11900 H1 TIP3 1969 19.644 -2.212 -47.881 0.00 0.00 SOLV ATOM 11901 H2 TIP3 1969 20.211 -3.535 -47.540 0.00 0.00 SOLV ATOM 11902 OH2 TIP3 1970 14.736 -2.035 -53.526 0.00 0.00 SOLV ATOM 11903 H1 TIP3 1970 15.655 -1.936 -53.809 0.00 0.00 SOLV ATOM 11904 H2 TIP3 1970 14.336 -1.250 -53.907 0.00 0.00 SOLV ATOM 11905 OH2 TIP3 1971 17.531 0.394 -52.228 0.00 0.00 SOLV ATOM 11906 H1 TIP3 1971 17.400 -0.549 -52.311 0.00 0.00 SOLV ATOM 11907 H2 TIP3 1971 17.680 0.647 -53.127 0.00 0.00 SOLV ATOM 11908 OH2 TIP3 1972 -6.091 8.076 -43.788 0.00 0.00 SOLV ATOM 11909 H1 TIP3 1972 -5.220 8.132 -43.328 0.00 0.00 SOLV ATOM 11910 H2 TIP3 1972 -6.010 7.322 -44.392 0.00 0.00 SOLV ATOM 11911 OH2 TIP3 1973 -15.680 18.335 -13.502 0.00 0.00 SOLV ATOM 11912 H1 TIP3 1973 -16.035 17.888 -14.247 0.00 0.00 SOLV ATOM 11913 H2 TIP3 1973 -15.993 17.794 -12.781 0.00 0.00 SOLV ATOM 11914 OH2 TIP3 1974 10.146 -16.129 -26.656 0.00 0.00 SOLV ATOM 11915 H1 TIP3 1974 10.448 -15.395 -26.062 0.00 0.00 SOLV ATOM 11916 H2 TIP3 1974 10.588 -15.829 -27.418 0.00 0.00 SOLV ATOM 11917 OH2 TIP3 1975 23.077 -11.145 -21.710 0.00 0.00 SOLV ATOM 11918 H1 TIP3 1975 23.390 -10.280 -21.766 0.00 0.00 SOLV ATOM 11919 H2 TIP3 1975 23.819 -11.630 -21.993 0.00 0.00 SOLV ATOM 11920 OH2 TIP3 1976 20.646 -6.664 -13.061 0.00 0.00 SOLV ATOM 11921 H1 TIP3 1976 19.761 -6.537 -13.407 0.00 0.00 SOLV ATOM 11922 H2 TIP3 1976 20.466 -7.087 -12.188 0.00 0.00 SOLV ATOM 11923 OH2 TIP3 1977 5.992 -3.380 -43.991 0.00 0.00 SOLV ATOM 11924 H1 TIP3 1977 5.160 -2.887 -43.686 0.00 0.00 SOLV ATOM 11925 H2 TIP3 1977 5.997 -3.234 -44.951 0.00 0.00 SOLV ATOM 11926 OH2 TIP3 1978 -13.929 14.475 -10.404 0.00 0.00 SOLV ATOM 11927 H1 TIP3 1978 -14.854 14.357 -10.728 0.00 0.00 SOLV ATOM 11928 H2 TIP3 1978 -13.560 15.109 -11.041 0.00 0.00 SOLV ATOM 11929 OH2 TIP3 1979 2.917 4.633 4.255 0.00 0.00 SOLV ATOM 11930 H1 TIP3 1979 2.480 4.777 3.385 0.00 0.00 SOLV ATOM 11931 H2 TIP3 1979 3.852 4.520 4.010 0.00 0.00 SOLV ATOM 11932 OH2 TIP3 1980 3.490 -15.327 8.745 0.00 0.00 SOLV ATOM 11933 H1 TIP3 1980 3.420 -16.024 9.428 0.00 0.00 SOLV ATOM 11934 H2 TIP3 1980 2.848 -15.673 8.084 0.00 0.00 SOLV ATOM 11935 OH2 TIP3 1981 6.156 -21.872 5.794 0.00 0.00 SOLV ATOM 11936 H1 TIP3 1981 6.376 -21.986 4.811 0.00 0.00 SOLV ATOM 11937 H2 TIP3 1981 6.488 -22.707 6.147 0.00 0.00 SOLV ATOM 11938 OH2 TIP3 1982 -3.952 15.165 -47.261 0.00 0.00 SOLV ATOM 11939 H1 TIP3 1982 -4.721 15.822 -47.447 0.00 0.00 SOLV ATOM 11940 H2 TIP3 1982 -3.187 15.648 -47.524 0.00 0.00 SOLV ATOM 11941 OH2 TIP3 1983 -1.793 -6.900 -42.535 0.00 0.00 SOLV ATOM 11942 H1 TIP3 1983 -1.896 -5.999 -42.778 0.00 0.00 SOLV ATOM 11943 H2 TIP3 1983 -1.303 -7.295 -43.283 0.00 0.00 SOLV ATOM 11944 OH2 TIP3 1984 -17.125 -9.619 17.005 0.00 0.00 SOLV ATOM 11945 H1 TIP3 1984 -17.422 -10.534 16.745 0.00 0.00 SOLV ATOM 11946 H2 TIP3 1984 -17.234 -9.685 18.000 0.00 0.00 SOLV ATOM 11947 OH2 TIP3 1985 10.200 -15.462 -31.816 0.00 0.00 SOLV ATOM 11948 H1 TIP3 1985 9.707 -16.001 -32.513 0.00 0.00 SOLV ATOM 11949 H2 TIP3 1985 10.017 -14.539 -32.103 0.00 0.00 SOLV ATOM 11950 OH2 TIP3 1986 4.899 -8.135 -21.269 0.00 0.00 SOLV ATOM 11951 H1 TIP3 1986 5.778 -8.474 -21.218 0.00 0.00 SOLV ATOM 11952 H2 TIP3 1986 4.331 -8.927 -21.125 0.00 0.00 SOLV ATOM 11953 OH2 TIP3 1987 29.492 9.311 -14.773 0.00 0.00 SOLV ATOM 11954 H1 TIP3 1987 30.011 8.552 -14.449 0.00 0.00 SOLV ATOM 11955 H2 TIP3 1987 29.778 9.983 -14.095 0.00 0.00 SOLV ATOM 11956 OH2 TIP3 1988 3.434 -6.851 -35.576 0.00 0.00 SOLV ATOM 11957 H1 TIP3 1988 3.914 -7.712 -35.798 0.00 0.00 SOLV ATOM 11958 H2 TIP3 1988 2.739 -6.789 -36.242 0.00 0.00 SOLV ATOM 11959 OH2 TIP3 1989 1.503 16.768 16.267 0.00 0.00 SOLV ATOM 11960 H1 TIP3 1989 1.730 17.389 16.971 0.00 0.00 SOLV ATOM 11961 H2 TIP3 1989 1.958 15.959 16.544 0.00 0.00 SOLV ATOM 11962 OH2 TIP3 1990 9.486 12.949 -52.568 0.00 0.00 SOLV ATOM 11963 H1 TIP3 1990 10.184 12.984 -53.232 0.00 0.00 SOLV ATOM 11964 H2 TIP3 1990 8.703 13.454 -52.930 0.00 0.00 SOLV ATOM 11965 OH2 TIP3 1991 -17.525 -35.211 23.109 0.00 0.00 SOLV ATOM 11966 H1 TIP3 1991 -17.491 -36.070 23.482 0.00 0.00 SOLV ATOM 11967 H2 TIP3 1991 -16.626 -34.989 22.895 0.00 0.00 SOLV ATOM 11968 OH2 TIP3 1992 5.575 5.878 -52.787 0.00 0.00 SOLV ATOM 11969 H1 TIP3 1992 5.215 5.336 -53.501 0.00 0.00 SOLV ATOM 11970 H2 TIP3 1992 5.135 5.586 -51.942 0.00 0.00 SOLV ATOM 11971 OH2 TIP3 1993 9.768 -4.204 -47.906 0.00 0.00 SOLV ATOM 11972 H1 TIP3 1993 9.408 -4.044 -47.077 0.00 0.00 SOLV ATOM 11973 H2 TIP3 1993 10.631 -4.570 -47.680 0.00 0.00 SOLV ATOM 11974 OH2 TIP3 1994 3.581 2.453 -44.895 0.00 0.00 SOLV ATOM 11975 H1 TIP3 1994 2.771 2.845 -45.124 0.00 0.00 SOLV ATOM 11976 H2 TIP3 1994 4.225 2.866 -45.539 0.00 0.00 SOLV ATOM 11977 OH2 TIP3 1995 -0.670 8.492 -41.434 0.00 0.00 SOLV ATOM 11978 H1 TIP3 1995 -1.029 9.319 -41.805 0.00 0.00 SOLV ATOM 11979 H2 TIP3 1995 -0.104 8.862 -40.802 0.00 0.00 SOLV ATOM 11980 OH2 TIP3 1996 1.408 -14.599 -22.300 0.00 0.00 SOLV ATOM 11981 H1 TIP3 1996 2.264 -14.043 -22.350 0.00 0.00 SOLV ATOM 11982 H2 TIP3 1996 1.277 -14.684 -21.323 0.00 0.00 SOLV ATOM 11983 OH2 TIP3 1997 23.490 19.151 -10.335 0.00 0.00 SOLV ATOM 11984 H1 TIP3 1997 24.082 18.722 -10.933 0.00 0.00 SOLV ATOM 11985 H2 TIP3 1997 23.420 18.461 -9.643 0.00 0.00 SOLV ATOM 11986 OH2 TIP3 1998 -5.831 -5.629 9.816 0.00 0.00 SOLV ATOM 11987 H1 TIP3 1998 -6.478 -6.359 9.968 0.00 0.00 SOLV ATOM 11988 H2 TIP3 1998 -5.234 -5.802 10.572 0.00 0.00 SOLV ATOM 11989 OH2 TIP3 1999 21.055 1.182 20.796 0.00 0.00 SOLV ATOM 11990 H1 TIP3 1999 20.077 1.021 20.936 0.00 0.00 SOLV ATOM 11991 H2 TIP3 1999 21.390 0.419 20.216 0.00 0.00 SOLV ATOM 11992 OH2 TIP3 2000 20.339 3.544 22.913 0.00 0.00 SOLV ATOM 11993 H1 TIP3 2000 20.573 2.709 23.314 0.00 0.00 SOLV ATOM 11994 H2 TIP3 2000 19.461 3.302 22.523 0.00 0.00 SOLV ATOM 11995 OH2 TIP3 2001 11.034 2.156 -52.598 0.00 0.00 SOLV ATOM 11996 H1 TIP3 2001 10.832 1.454 -51.987 0.00 0.00 SOLV ATOM 11997 H2 TIP3 2001 12.047 2.134 -52.689 0.00 0.00 SOLV ATOM 11998 OH2 TIP3 2002 11.527 11.102 -43.832 0.00 0.00 SOLV ATOM 11999 H1 TIP3 2002 11.001 10.467 -43.333 0.00 0.00 SOLV ATOM 12000 H2 TIP3 2002 12.101 10.580 -44.401 0.00 0.00 SOLV ATOM 12001 OH2 TIP3 2003 6.000 6.447 -46.106 0.00 0.00 SOLV ATOM 12002 H1 TIP3 2003 6.638 7.201 -46.042 0.00 0.00 SOLV ATOM 12003 H2 TIP3 2003 5.185 6.947 -45.823 0.00 0.00 SOLV ATOM 12004 OH2 TIP3 2004 13.859 15.439 -37.034 0.00 0.00 SOLV ATOM 12005 H1 TIP3 2004 13.208 15.553 -37.699 0.00 0.00 SOLV ATOM 12006 H2 TIP3 2004 14.455 16.168 -37.178 0.00 0.00 SOLV ATOM 12007 OH2 TIP3 2005 -9.662 15.556 -37.553 0.00 0.00 SOLV ATOM 12008 H1 TIP3 2005 -9.638 15.876 -36.655 0.00 0.00 SOLV ATOM 12009 H2 TIP3 2005 -8.814 15.379 -37.879 0.00 0.00 SOLV ATOM 12010 OH2 TIP3 2006 6.443 -9.316 -1.060 0.00 0.00 SOLV ATOM 12011 H1 TIP3 2006 6.735 -10.024 -0.521 0.00 0.00 SOLV ATOM 12012 H2 TIP3 2006 5.563 -9.666 -1.383 0.00 0.00 SOLV ATOM 12013 OH2 TIP3 2007 2.489 -16.500 -15.578 0.00 0.00 SOLV ATOM 12014 H1 TIP3 2007 1.841 -16.333 -14.890 0.00 0.00 SOLV ATOM 12015 H2 TIP3 2007 2.096 -17.259 -16.040 0.00 0.00 SOLV ATOM 12016 OH2 TIP3 2008 -13.522 22.846 -3.849 0.00 0.00 SOLV ATOM 12017 H1 TIP3 2008 -13.107 23.542 -4.317 0.00 0.00 SOLV ATOM 12018 H2 TIP3 2008 -14.476 22.989 -4.016 0.00 0.00 SOLV ATOM 12019 OH2 TIP3 2009 10.671 6.558 -47.820 0.00 0.00 SOLV ATOM 12020 H1 TIP3 2009 11.495 6.389 -48.273 0.00 0.00 SOLV ATOM 12021 H2 TIP3 2009 10.849 6.156 -46.912 0.00 0.00 SOLV ATOM 12022 OH2 TIP3 2010 9.653 11.823 -14.359 0.00 0.00 SOLV ATOM 12023 H1 TIP3 2010 8.965 12.356 -14.756 0.00 0.00 SOLV ATOM 12024 H2 TIP3 2010 9.153 11.041 -14.158 0.00 0.00 SOLV ATOM 12025 OH2 TIP3 2011 6.807 7.181 -41.390 0.00 0.00 SOLV ATOM 12026 H1 TIP3 2011 6.308 6.800 -42.207 0.00 0.00 SOLV ATOM 12027 H2 TIP3 2011 7.606 7.538 -41.793 0.00 0.00 SOLV ATOM 12028 OH2 TIP3 2012 -11.160 12.348 -33.763 0.00 0.00 SOLV ATOM 12029 H1 TIP3 2012 -10.974 12.300 -32.825 0.00 0.00 SOLV ATOM 12030 H2 TIP3 2012 -11.320 11.411 -34.072 0.00 0.00 SOLV ATOM 12031 OH2 TIP3 2013 5.882 13.558 -44.239 0.00 0.00 SOLV ATOM 12032 H1 TIP3 2013 5.358 12.719 -44.363 0.00 0.00 SOLV ATOM 12033 H2 TIP3 2013 6.658 13.256 -43.727 0.00 0.00 SOLV ATOM 12034 OH2 TIP3 2014 4.604 -2.598 -38.100 0.00 0.00 SOLV ATOM 12035 H1 TIP3 2014 4.120 -2.926 -37.315 0.00 0.00 SOLV ATOM 12036 H2 TIP3 2014 5.387 -3.190 -38.305 0.00 0.00 SOLV ATOM 12037 OH2 TIP3 2015 -7.726 -9.430 -8.354 0.00 0.00 SOLV ATOM 12038 H1 TIP3 2015 -7.255 -10.240 -8.603 0.00 0.00 SOLV ATOM 12039 H2 TIP3 2015 -8.489 -9.823 -7.866 0.00 0.00 SOLV ATOM 12040 OH2 TIP3 2016 4.320 3.754 -41.555 0.00 0.00 SOLV ATOM 12041 H1 TIP3 2016 4.295 3.878 -40.575 0.00 0.00 SOLV ATOM 12042 H2 TIP3 2016 3.987 2.869 -41.647 0.00 0.00 SOLV ATOM 12043 OH2 TIP3 2017 20.167 19.878 -26.369 0.00 0.00 SOLV ATOM 12044 H1 TIP3 2017 19.634 20.723 -26.281 0.00 0.00 SOLV ATOM 12045 H2 TIP3 2017 19.815 19.436 -27.142 0.00 0.00 SOLV ATOM 12046 OH2 TIP3 2018 -3.248 -18.721 -15.049 0.00 0.00 SOLV ATOM 12047 H1 TIP3 2018 -2.921 -19.504 -14.503 0.00 0.00 SOLV ATOM 12048 H2 TIP3 2018 -3.833 -18.321 -14.383 0.00 0.00 SOLV ATOM 12049 OH2 TIP3 2019 22.151 -3.526 -10.856 0.00 0.00 SOLV ATOM 12050 H1 TIP3 2019 21.970 -4.326 -10.313 0.00 0.00 SOLV ATOM 12051 H2 TIP3 2019 21.541 -2.881 -10.469 0.00 0.00 SOLV ATOM 12052 OH2 TIP3 2020 10.028 13.194 2.788 0.00 0.00 SOLV ATOM 12053 H1 TIP3 2020 10.356 12.509 3.446 0.00 0.00 SOLV ATOM 12054 H2 TIP3 2020 10.700 13.913 2.783 0.00 0.00 SOLV ATOM 12055 OH2 TIP3 2021 14.192 12.350 3.285 0.00 0.00 SOLV ATOM 12056 H1 TIP3 2021 14.725 12.516 2.487 0.00 0.00 SOLV ATOM 12057 H2 TIP3 2021 13.368 12.740 3.093 0.00 0.00 SOLV ATOM 12058 OH2 TIP3 2022 15.263 7.415 0.449 0.00 0.00 SOLV ATOM 12059 H1 TIP3 2022 15.267 8.290 0.931 0.00 0.00 SOLV ATOM 12060 H2 TIP3 2022 14.575 7.567 -0.237 0.00 0.00 SOLV ATOM 12061 OH2 TIP3 2023 -3.279 4.426 -40.764 0.00 0.00 SOLV ATOM 12062 H1 TIP3 2023 -2.741 3.897 -41.439 0.00 0.00 SOLV ATOM 12063 H2 TIP3 2023 -2.625 4.912 -40.249 0.00 0.00 SOLV ATOM 12064 OH2 TIP3 2024 0.693 16.003 -41.687 0.00 0.00 SOLV ATOM 12065 H1 TIP3 2024 -0.163 16.600 -41.751 0.00 0.00 SOLV ATOM 12066 H2 TIP3 2024 1.413 16.636 -41.947 0.00 0.00 SOLV ATOM 12067 OH2 TIP3 2025 -16.938 15.281 -34.350 0.00 0.00 SOLV ATOM 12068 H1 TIP3 2025 -16.003 14.989 -34.064 0.00 0.00 SOLV ATOM 12069 H2 TIP3 2025 -17.360 15.207 -33.546 0.00 0.00 SOLV ATOM 12070 OH2 TIP3 2026 -6.936 -24.213 14.003 0.00 0.00 SOLV ATOM 12071 H1 TIP3 2026 -6.158 -23.662 13.771 0.00 0.00 SOLV ATOM 12072 H2 TIP3 2026 -7.303 -23.794 14.789 0.00 0.00 SOLV ATOM 12073 OH2 TIP3 2027 22.905 23.815 -17.585 0.00 0.00 SOLV ATOM 12074 H1 TIP3 2027 21.920 23.881 -17.532 0.00 0.00 SOLV ATOM 12075 H2 TIP3 2027 23.063 23.028 -18.173 0.00 0.00 SOLV ATOM 12076 OH2 TIP3 2028 6.673 10.068 -48.459 0.00 0.00 SOLV ATOM 12077 H1 TIP3 2028 6.627 9.820 -49.427 0.00 0.00 SOLV ATOM 12078 H2 TIP3 2028 7.010 9.263 -48.006 0.00 0.00 SOLV ATOM 12079 OH2 TIP3 2029 2.499 5.423 -46.828 0.00 0.00 SOLV ATOM 12080 H1 TIP3 2029 2.920 4.528 -46.837 0.00 0.00 SOLV ATOM 12081 H2 TIP3 2029 2.936 5.833 -46.109 0.00 0.00 SOLV ATOM 12082 OH2 TIP3 2030 -5.434 -36.439 6.611 0.00 0.00 SOLV ATOM 12083 H1 TIP3 2030 -6.307 -36.039 6.615 0.00 0.00 SOLV ATOM 12084 H2 TIP3 2030 -5.518 -37.311 7.020 0.00 0.00 SOLV ATOM 12085 OH2 TIP3 2031 -6.202 18.838 13.852 0.00 0.00 SOLV ATOM 12086 H1 TIP3 2031 -5.396 18.317 14.041 0.00 0.00 SOLV ATOM 12087 H2 TIP3 2031 -6.822 18.476 14.478 0.00 0.00 SOLV ATOM 12088 OH2 TIP3 2032 12.981 9.780 -51.256 0.00 0.00 SOLV ATOM 12089 H1 TIP3 2032 13.740 9.228 -51.420 0.00 0.00 SOLV ATOM 12090 H2 TIP3 2032 12.578 9.743 -52.149 0.00 0.00 SOLV ATOM 12091 OH2 TIP3 2033 -16.124 -8.471 22.000 0.00 0.00 SOLV ATOM 12092 H1 TIP3 2033 -15.394 -8.690 22.572 0.00 0.00 SOLV ATOM 12093 H2 TIP3 2033 -16.859 -8.924 22.415 0.00 0.00 SOLV ATOM 12094 OH2 TIP3 2034 27.805 11.675 -14.083 0.00 0.00 SOLV ATOM 12095 H1 TIP3 2034 27.927 12.345 -14.821 0.00 0.00 SOLV ATOM 12096 H2 TIP3 2034 28.405 10.964 -14.365 0.00 0.00 SOLV ATOM 12097 OH2 TIP3 2035 -1.093 -21.064 7.123 0.00 0.00 SOLV ATOM 12098 H1 TIP3 2035 -1.195 -21.629 6.312 0.00 0.00 SOLV ATOM 12099 H2 TIP3 2035 -0.693 -21.727 7.783 0.00 0.00 SOLV ATOM 12100 OH2 TIP3 2036 -4.822 -32.068 -13.823 0.00 0.00 SOLV ATOM 12101 H1 TIP3 2036 -4.657 -31.285 -13.302 0.00 0.00 SOLV ATOM 12102 H2 TIP3 2036 -5.792 -32.044 -13.788 0.00 0.00 SOLV ATOM 12103 OH2 TIP3 2037 0.811 -17.821 -38.699 0.00 0.00 SOLV ATOM 12104 H1 TIP3 2037 1.578 -17.391 -39.123 0.00 0.00 SOLV ATOM 12105 H2 TIP3 2037 0.497 -18.348 -39.343 0.00 0.00 SOLV ATOM 12106 OH2 TIP3 2038 2.838 -24.638 -14.023 0.00 0.00 SOLV ATOM 12107 H1 TIP3 2038 3.296 -23.907 -14.446 0.00 0.00 SOLV ATOM 12108 H2 TIP3 2038 2.682 -24.291 -13.144 0.00 0.00 SOLV ATOM 12109 OH2 TIP3 2039 1.193 -29.385 -17.721 0.00 0.00 SOLV ATOM 12110 H1 TIP3 2039 1.140 -28.516 -17.236 0.00 0.00 SOLV ATOM 12111 H2 TIP3 2039 1.846 -29.251 -18.402 0.00 0.00 SOLV ATOM 12112 OH2 TIP3 2040 2.674 -31.662 5.023 0.00 0.00 SOLV ATOM 12113 H1 TIP3 2040 2.612 -31.652 6.025 0.00 0.00 SOLV ATOM 12114 H2 TIP3 2040 1.728 -31.910 4.854 0.00 0.00 SOLV ATOM 12115 OH2 TIP3 2041 9.850 -23.058 -25.440 0.00 0.00 SOLV ATOM 12116 H1 TIP3 2041 9.194 -23.243 -26.153 0.00 0.00 SOLV ATOM 12117 H2 TIP3 2041 9.786 -23.824 -24.941 0.00 0.00 SOLV ATOM 12118 OH2 TIP3 2042 -13.411 -33.070 -10.669 0.00 0.00 SOLV ATOM 12119 H1 TIP3 2042 -14.235 -32.898 -10.108 0.00 0.00 SOLV ATOM 12120 H2 TIP3 2042 -13.435 -33.977 -10.992 0.00 0.00 SOLV ATOM 12121 OH2 TIP3 2043 14.041 -12.958 -10.131 0.00 0.00 SOLV ATOM 12122 H1 TIP3 2043 14.117 -13.391 -9.296 0.00 0.00 SOLV ATOM 12123 H2 TIP3 2043 14.318 -13.623 -10.722 0.00 0.00 SOLV ATOM 12124 OH2 TIP3 2044 -7.297 -28.278 -8.101 0.00 0.00 SOLV ATOM 12125 H1 TIP3 2044 -7.917 -27.870 -7.396 0.00 0.00 SOLV ATOM 12126 H2 TIP3 2044 -7.374 -29.225 -7.955 0.00 0.00 SOLV ATOM 12127 OH2 TIP3 2045 -4.309 28.634 -19.639 0.00 0.00 SOLV ATOM 12128 H1 TIP3 2045 -3.811 27.864 -19.481 0.00 0.00 SOLV ATOM 12129 H2 TIP3 2045 -3.621 29.264 -19.591 0.00 0.00 SOLV ATOM 12130 OH2 TIP3 2046 6.162 -22.739 -3.577 0.00 0.00 SOLV ATOM 12131 H1 TIP3 2046 6.388 -22.638 -2.637 0.00 0.00 SOLV ATOM 12132 H2 TIP3 2046 5.947 -21.843 -3.901 0.00 0.00 SOLV ATOM 12133 OH2 TIP3 2047 -4.088 -29.220 4.853 0.00 0.00 SOLV ATOM 12134 H1 TIP3 2047 -3.614 -28.839 5.612 0.00 0.00 SOLV ATOM 12135 H2 TIP3 2047 -4.779 -28.598 4.625 0.00 0.00 SOLV ATOM 12136 OH2 TIP3 2048 5.313 -15.087 -44.527 0.00 0.00 SOLV ATOM 12137 H1 TIP3 2048 6.105 -14.785 -45.044 0.00 0.00 SOLV ATOM 12138 H2 TIP3 2048 4.754 -15.695 -45.074 0.00 0.00 SOLV ATOM 12139 OH2 TIP3 2049 -12.555 -20.446 -29.568 0.00 0.00 SOLV ATOM 12140 H1 TIP3 2049 -11.678 -20.846 -29.626 0.00 0.00 SOLV ATOM 12141 H2 TIP3 2049 -13.188 -21.241 -29.490 0.00 0.00 SOLV ATOM 12142 OH2 TIP3 2050 17.078 -20.308 -23.527 0.00 0.00 SOLV ATOM 12143 H1 TIP3 2050 16.453 -20.941 -23.190 0.00 0.00 SOLV ATOM 12144 H2 TIP3 2050 17.409 -19.820 -22.734 0.00 0.00 SOLV ATOM 12145 OH2 TIP3 2051 -24.123 -9.827 32.138 0.00 0.00 SOLV ATOM 12146 H1 TIP3 2051 -24.123 -8.924 32.538 0.00 0.00 SOLV ATOM 12147 H2 TIP3 2051 -23.265 -10.128 32.219 0.00 0.00 SOLV ATOM 12148 OH2 TIP3 2052 3.287 -34.721 5.194 0.00 0.00 SOLV ATOM 12149 H1 TIP3 2052 3.570 -34.738 4.298 0.00 0.00 SOLV ATOM 12150 H2 TIP3 2052 3.119 -35.666 5.368 0.00 0.00 SOLV ATOM 12151 OH2 TIP3 2053 -26.044 -3.699 25.131 0.00 0.00 SOLV ATOM 12152 H1 TIP3 2053 -25.765 -4.568 25.548 0.00 0.00 SOLV ATOM 12153 H2 TIP3 2053 -26.458 -3.939 24.359 0.00 0.00 SOLV ATOM 12154 OH2 TIP3 2054 15.812 -22.645 4.260 0.00 0.00 SOLV ATOM 12155 H1 TIP3 2054 16.699 -23.032 4.042 0.00 0.00 SOLV ATOM 12156 H2 TIP3 2054 15.903 -21.662 4.202 0.00 0.00 SOLV ATOM 12157 OH2 TIP3 2055 12.592 -24.054 6.406 0.00 0.00 SOLV ATOM 12158 H1 TIP3 2055 11.621 -23.816 6.343 0.00 0.00 SOLV ATOM 12159 H2 TIP3 2055 12.674 -24.808 5.828 0.00 0.00 SOLV ATOM 12160 OH2 TIP3 2056 -0.797 -18.490 -24.267 0.00 0.00 SOLV ATOM 12161 H1 TIP3 2056 -1.512 -18.538 -23.581 0.00 0.00 SOLV ATOM 12162 H2 TIP3 2056 -0.528 -17.557 -24.233 0.00 0.00 SOLV ATOM 12163 OH2 TIP3 2057 8.537 -13.577 -43.850 0.00 0.00 SOLV ATOM 12164 H1 TIP3 2057 7.941 -13.363 -43.143 0.00 0.00 SOLV ATOM 12165 H2 TIP3 2057 8.207 -13.034 -44.637 0.00 0.00 SOLV ATOM 12166 OH2 TIP3 2058 6.512 -14.235 -33.194 0.00 0.00 SOLV ATOM 12167 H1 TIP3 2058 6.659 -14.974 -33.782 0.00 0.00 SOLV ATOM 12168 H2 TIP3 2058 6.605 -13.420 -33.712 0.00 0.00 SOLV ATOM 12169 OH2 TIP3 2059 3.590 -22.151 -15.086 0.00 0.00 SOLV ATOM 12170 H1 TIP3 2059 3.946 -21.799 -14.255 0.00 0.00 SOLV ATOM 12171 H2 TIP3 2059 4.035 -21.591 -15.825 0.00 0.00 SOLV ATOM 12172 OH2 TIP3 2060 -16.439 10.389 -8.163 0.00 0.00 SOLV ATOM 12173 H1 TIP3 2060 -17.105 9.772 -8.442 0.00 0.00 SOLV ATOM 12174 H2 TIP3 2060 -16.898 10.829 -7.445 0.00 0.00 SOLV ATOM 12175 OH2 TIP3 2061 -14.211 -22.441 25.334 0.00 0.00 SOLV ATOM 12176 H1 TIP3 2061 -14.873 -22.423 24.671 0.00 0.00 SOLV ATOM 12177 H2 TIP3 2061 -13.907 -21.503 25.409 0.00 0.00 SOLV ATOM 12178 OH2 TIP3 2062 12.410 -0.573 -2.526 0.00 0.00 SOLV ATOM 12179 H1 TIP3 2062 11.852 0.221 -2.491 0.00 0.00 SOLV ATOM 12180 H2 TIP3 2062 13.270 -0.155 -2.283 0.00 0.00 SOLV ATOM 12181 OH2 TIP3 2063 -9.841 -28.276 -17.916 0.00 0.00 SOLV ATOM 12182 H1 TIP3 2063 -10.549 -28.729 -18.414 0.00 0.00 SOLV ATOM 12183 H2 TIP3 2063 -10.205 -28.035 -17.104 0.00 0.00 SOLV ATOM 12184 OH2 TIP3 2064 17.975 -2.836 2.396 0.00 0.00 SOLV ATOM 12185 H1 TIP3 2064 18.452 -3.619 2.810 0.00 0.00 SOLV ATOM 12186 H2 TIP3 2064 17.494 -2.519 3.180 0.00 0.00 SOLV ATOM 12187 OH2 TIP3 2065 -1.173 -19.834 -30.863 0.00 0.00 SOLV ATOM 12188 H1 TIP3 2065 -0.232 -19.596 -30.706 0.00 0.00 SOLV ATOM 12189 H2 TIP3 2065 -1.100 -20.534 -31.549 0.00 0.00 SOLV ATOM 12190 OH2 TIP3 2066 13.855 -17.020 -43.300 0.00 0.00 SOLV ATOM 12191 H1 TIP3 2066 14.680 -17.270 -43.704 0.00 0.00 SOLV ATOM 12192 H2 TIP3 2066 13.148 -17.204 -43.979 0.00 0.00 SOLV ATOM 12193 OH2 TIP3 2067 -11.139 -0.562 -36.302 0.00 0.00 SOLV ATOM 12194 H1 TIP3 2067 -11.999 -0.137 -36.081 0.00 0.00 SOLV ATOM 12195 H2 TIP3 2067 -11.294 -1.511 -36.107 0.00 0.00 SOLV ATOM 12196 OH2 TIP3 2068 2.909 1.024 -34.015 0.00 0.00 SOLV ATOM 12197 H1 TIP3 2068 2.310 1.487 -34.587 0.00 0.00 SOLV ATOM 12198 H2 TIP3 2068 3.387 1.731 -33.543 0.00 0.00 SOLV ATOM 12199 OH2 TIP3 2069 -11.055 3.227 -36.947 0.00 0.00 SOLV ATOM 12200 H1 TIP3 2069 -10.534 3.990 -37.224 0.00 0.00 SOLV ATOM 12201 H2 TIP3 2069 -10.793 2.512 -37.598 0.00 0.00 SOLV ATOM 12202 OH2 TIP3 2070 -10.535 2.929 -34.189 0.00 0.00 SOLV ATOM 12203 H1 TIP3 2070 -10.593 1.967 -33.896 0.00 0.00 SOLV ATOM 12204 H2 TIP3 2070 -11.152 3.000 -34.895 0.00 0.00 SOLV ATOM 12205 OH2 TIP3 2071 -1.967 -28.271 -15.720 0.00 0.00 SOLV ATOM 12206 H1 TIP3 2071 -1.268 -27.875 -16.266 0.00 0.00 SOLV ATOM 12207 H2 TIP3 2071 -2.753 -28.228 -16.301 0.00 0.00 SOLV ATOM 12208 OH2 TIP3 2072 7.174 -9.820 -21.643 0.00 0.00 SOLV ATOM 12209 H1 TIP3 2072 7.211 -10.801 -21.748 0.00 0.00 SOLV ATOM 12210 H2 TIP3 2072 7.239 -9.451 -22.569 0.00 0.00 SOLV ATOM 12211 OH2 TIP3 2073 -6.523 -12.267 -15.212 0.00 0.00 SOLV ATOM 12212 H1 TIP3 2073 -7.181 -12.183 -15.902 0.00 0.00 SOLV ATOM 12213 H2 TIP3 2073 -6.717 -13.198 -14.900 0.00 0.00 SOLV ATOM 12214 OH2 TIP3 2074 5.493 -10.465 -50.546 0.00 0.00 SOLV ATOM 12215 H1 TIP3 2074 5.366 -11.213 -49.938 0.00 0.00 SOLV ATOM 12216 H2 TIP3 2074 4.718 -9.930 -50.356 0.00 0.00 SOLV ATOM 12217 OH2 TIP3 2075 3.241 -14.502 -31.221 0.00 0.00 SOLV ATOM 12218 H1 TIP3 2075 2.942 -14.096 -30.428 0.00 0.00 SOLV ATOM 12219 H2 TIP3 2075 4.256 -14.461 -31.213 0.00 0.00 SOLV ATOM 12220 OH2 TIP3 2076 8.119 -9.672 -40.171 0.00 0.00 SOLV ATOM 12221 H1 TIP3 2076 8.011 -9.509 -41.137 0.00 0.00 SOLV ATOM 12222 H2 TIP3 2076 7.624 -8.947 -39.831 0.00 0.00 SOLV ATOM 12223 OH2 TIP3 2077 -0.068 -15.009 -35.354 0.00 0.00 SOLV ATOM 12224 H1 TIP3 2077 0.602 -14.731 -34.714 0.00 0.00 SOLV ATOM 12225 H2 TIP3 2077 -0.619 -14.175 -35.497 0.00 0.00 SOLV ATOM 12226 OH2 TIP3 2078 -0.381 -13.667 -30.109 0.00 0.00 SOLV ATOM 12227 H1 TIP3 2078 0.236 -13.125 -30.635 0.00 0.00 SOLV ATOM 12228 H2 TIP3 2078 -0.260 -13.388 -29.222 0.00 0.00 SOLV ATOM 12229 OH2 TIP3 2079 -2.652 -28.810 -25.773 0.00 0.00 SOLV ATOM 12230 H1 TIP3 2079 -2.898 -27.960 -26.209 0.00 0.00 SOLV ATOM 12231 H2 TIP3 2079 -3.521 -29.146 -25.458 0.00 0.00 SOLV ATOM 12232 OH2 TIP3 2080 7.241 -22.695 -13.696 0.00 0.00 SOLV ATOM 12233 H1 TIP3 2080 7.689 -23.243 -13.015 0.00 0.00 SOLV ATOM 12234 H2 TIP3 2080 7.953 -22.491 -14.366 0.00 0.00 SOLV ATOM 12235 OH2 TIP3 2081 11.454 -14.133 -12.102 0.00 0.00 SOLV ATOM 12236 H1 TIP3 2081 12.222 -13.513 -12.366 0.00 0.00 SOLV ATOM 12237 H2 TIP3 2081 10.928 -14.369 -12.934 0.00 0.00 SOLV ATOM 12238 OH2 TIP3 2082 7.886 -10.825 0.681 0.00 0.00 SOLV ATOM 12239 H1 TIP3 2082 8.654 -10.525 1.215 0.00 0.00 SOLV ATOM 12240 H2 TIP3 2082 7.255 -11.283 1.320 0.00 0.00 SOLV ATOM 12241 OH2 TIP3 2083 9.134 -25.513 2.981 0.00 0.00 SOLV ATOM 12242 H1 TIP3 2083 8.970 -26.451 2.990 0.00 0.00 SOLV ATOM 12243 H2 TIP3 2083 9.975 -25.399 2.542 0.00 0.00 SOLV ATOM 12244 OH2 TIP3 2084 9.827 -15.540 5.464 0.00 0.00 SOLV ATOM 12245 H1 TIP3 2084 9.430 -16.467 5.577 0.00 0.00 SOLV ATOM 12246 H2 TIP3 2084 10.747 -15.655 5.156 0.00 0.00 SOLV ATOM 12247 OH2 TIP3 2085 -11.623 -23.253 7.106 0.00 0.00 SOLV ATOM 12248 H1 TIP3 2085 -11.094 -23.772 7.713 0.00 0.00 SOLV ATOM 12249 H2 TIP3 2085 -12.127 -22.670 7.751 0.00 0.00 SOLV ATOM 12250 OH2 TIP3 2086 1.485 -20.687 9.049 0.00 0.00 SOLV ATOM 12251 H1 TIP3 2086 1.443 -21.632 9.206 0.00 0.00 SOLV ATOM 12252 H2 TIP3 2086 2.386 -20.614 8.769 0.00 0.00 SOLV ATOM 12253 OH2 TIP3 2087 16.970 -8.294 -51.079 0.00 0.00 SOLV ATOM 12254 H1 TIP3 2087 16.698 -7.582 -50.407 0.00 0.00 SOLV ATOM 12255 H2 TIP3 2087 17.900 -8.457 -50.811 0.00 0.00 SOLV ATOM 12256 OH2 TIP3 2088 -0.472 -11.430 -41.409 0.00 0.00 SOLV ATOM 12257 H1 TIP3 2088 -0.811 -12.320 -41.105 0.00 0.00 SOLV ATOM 12258 H2 TIP3 2088 0.297 -11.707 -41.907 0.00 0.00 SOLV ATOM 12259 OH2 TIP3 2089 -4.072 -14.973 -39.992 0.00 0.00 SOLV ATOM 12260 H1 TIP3 2089 -4.150 -15.876 -40.383 0.00 0.00 SOLV ATOM 12261 H2 TIP3 2089 -3.338 -14.571 -40.485 0.00 0.00 SOLV ATOM 12262 OH2 TIP3 2090 12.622 -17.066 -34.362 0.00 0.00 SOLV ATOM 12263 H1 TIP3 2090 12.625 -16.077 -34.452 0.00 0.00 SOLV ATOM 12264 H2 TIP3 2090 11.727 -17.381 -34.677 0.00 0.00 SOLV ATOM 12265 OH2 TIP3 2091 0.437 -15.989 -24.484 0.00 0.00 SOLV ATOM 12266 H1 TIP3 2091 0.741 -15.652 -23.615 0.00 0.00 SOLV ATOM 12267 H2 TIP3 2091 0.322 -15.167 -24.978 0.00 0.00 SOLV ATOM 12268 OH2 TIP3 2092 21.707 -8.335 -14.985 0.00 0.00 SOLV ATOM 12269 H1 TIP3 2092 21.400 -7.740 -14.259 0.00 0.00 SOLV ATOM 12270 H2 TIP3 2092 20.845 -8.708 -15.304 0.00 0.00 SOLV ATOM 12271 OH2 TIP3 2093 16.859 -11.441 -6.066 0.00 0.00 SOLV ATOM 12272 H1 TIP3 2093 16.026 -11.028 -6.347 0.00 0.00 SOLV ATOM 12273 H2 TIP3 2093 16.848 -12.373 -6.506 0.00 0.00 SOLV ATOM 12274 OH2 TIP3 2094 -3.671 -29.795 1.634 0.00 0.00 SOLV ATOM 12275 H1 TIP3 2094 -3.292 -28.968 1.512 0.00 0.00 SOLV ATOM 12276 H2 TIP3 2094 -3.956 -29.733 2.524 0.00 0.00 SOLV ATOM 12277 OH2 TIP3 2095 11.615 -19.192 1.121 0.00 0.00 SOLV ATOM 12278 H1 TIP3 2095 11.151 -19.422 0.286 0.00 0.00 SOLV ATOM 12279 H2 TIP3 2095 11.129 -19.630 1.884 0.00 0.00 SOLV ATOM 12280 OH2 TIP3 2096 -12.654 -15.904 -41.718 0.00 0.00 SOLV ATOM 12281 H1 TIP3 2096 -12.594 -14.933 -41.550 0.00 0.00 SOLV ATOM 12282 H2 TIP3 2096 -13.626 -16.027 -41.851 0.00 0.00 SOLV ATOM 12283 OH2 TIP3 2097 -15.635 4.439 -14.686 0.00 0.00 SOLV ATOM 12284 H1 TIP3 2097 -15.596 3.708 -14.001 0.00 0.00 SOLV ATOM 12285 H2 TIP3 2097 -15.377 3.917 -15.538 0.00 0.00 SOLV ATOM 12286 OH2 TIP3 2098 -1.782 -8.589 -35.934 0.00 0.00 SOLV ATOM 12287 H1 TIP3 2098 -2.207 -7.805 -36.346 0.00 0.00 SOLV ATOM 12288 H2 TIP3 2098 -2.411 -9.282 -36.196 0.00 0.00 SOLV ATOM 12289 OH2 TIP3 2099 -6.566 -10.074 11.305 0.00 0.00 SOLV ATOM 12290 H1 TIP3 2099 -7.112 -10.068 12.108 0.00 0.00 SOLV ATOM 12291 H2 TIP3 2099 -6.798 -9.188 10.941 0.00 0.00 SOLV ATOM 12292 OH2 TIP3 2100 5.093 -12.038 -28.396 0.00 0.00 SOLV ATOM 12293 H1 TIP3 2100 5.414 -11.152 -28.165 0.00 0.00 SOLV ATOM 12294 H2 TIP3 2100 5.494 -12.200 -29.261 0.00 0.00 SOLV ATOM 12295 OH2 TIP3 2101 -6.541 -22.962 -10.617 0.00 0.00 SOLV ATOM 12296 H1 TIP3 2101 -7.165 -23.470 -11.089 0.00 0.00 SOLV ATOM 12297 H2 TIP3 2101 -6.698 -23.128 -9.678 0.00 0.00 SOLV ATOM 12298 OH2 TIP3 2102 -5.025 -16.241 -4.768 0.00 0.00 SOLV ATOM 12299 H1 TIP3 2102 -5.245 -16.936 -5.418 0.00 0.00 SOLV ATOM 12300 H2 TIP3 2102 -4.516 -15.648 -5.291 0.00 0.00 SOLV ATOM 12301 OH2 TIP3 2103 3.752 -5.617 -48.181 0.00 0.00 SOLV ATOM 12302 H1 TIP3 2103 3.595 -6.138 -47.336 0.00 0.00 SOLV ATOM 12303 H2 TIP3 2103 2.842 -5.413 -48.463 0.00 0.00 SOLV ATOM 12304 OH2 TIP3 2104 6.364 6.337 -49.105 0.00 0.00 SOLV ATOM 12305 H1 TIP3 2104 7.292 6.168 -49.237 0.00 0.00 SOLV ATOM 12306 H2 TIP3 2104 6.325 6.208 -48.198 0.00 0.00 SOLV ATOM 12307 OH2 TIP3 2105 13.941 -3.205 0.951 0.00 0.00 SOLV ATOM 12308 H1 TIP3 2105 13.303 -2.567 1.213 0.00 0.00 SOLV ATOM 12309 H2 TIP3 2105 14.080 -2.979 0.071 0.00 0.00 SOLV ATOM 12310 OH2 TIP3 2106 10.207 -22.282 -30.305 0.00 0.00 SOLV ATOM 12311 H1 TIP3 2106 11.047 -22.587 -29.900 0.00 0.00 SOLV ATOM 12312 H2 TIP3 2106 10.214 -21.316 -30.203 0.00 0.00 SOLV ATOM 12313 OH2 TIP3 2107 14.856 -5.046 -54.013 0.00 0.00 SOLV ATOM 12314 H1 TIP3 2107 14.376 -4.749 -54.820 0.00 0.00 SOLV ATOM 12315 H2 TIP3 2107 15.123 -4.205 -53.572 0.00 0.00 SOLV ATOM 12316 OH2 TIP3 2108 23.731 -18.927 -35.772 0.00 0.00 SOLV ATOM 12317 H1 TIP3 2108 24.057 -19.114 -34.902 0.00 0.00 SOLV ATOM 12318 H2 TIP3 2108 23.130 -19.682 -35.962 0.00 0.00 SOLV ATOM 12319 OH2 TIP3 2109 -0.882 16.590 -31.686 0.00 0.00 SOLV ATOM 12320 H1 TIP3 2109 -0.738 17.515 -31.408 0.00 0.00 SOLV ATOM 12321 H2 TIP3 2109 -0.063 16.162 -31.617 0.00 0.00 SOLV ATOM 12322 OH2 TIP3 2110 -4.101 -11.152 -16.548 0.00 0.00 SOLV ATOM 12323 H1 TIP3 2110 -4.805 -11.784 -16.804 0.00 0.00 SOLV ATOM 12324 H2 TIP3 2110 -3.993 -11.420 -15.623 0.00 0.00 SOLV ATOM 12325 OH2 TIP3 2111 6.801 -14.762 -17.926 0.00 0.00 SOLV ATOM 12326 H1 TIP3 2111 6.194 -14.006 -17.811 0.00 0.00 SOLV ATOM 12327 H2 TIP3 2111 6.284 -15.541 -17.755 0.00 0.00 SOLV ATOM 12328 OH2 TIP3 2112 3.490 0.722 3.763 0.00 0.00 SOLV ATOM 12329 H1 TIP3 2112 2.709 0.220 3.538 0.00 0.00 SOLV ATOM 12330 H2 TIP3 2112 3.117 1.255 4.503 0.00 0.00 SOLV ATOM 12331 OH2 TIP3 2113 22.120 7.421 0.022 0.00 0.00 SOLV ATOM 12332 H1 TIP3 2113 22.610 8.216 -0.413 0.00 0.00 SOLV ATOM 12333 H2 TIP3 2113 22.183 6.693 -0.641 0.00 0.00 SOLV ATOM 12334 OH2 TIP3 2114 9.549 -1.918 3.361 0.00 0.00 SOLV ATOM 12335 H1 TIP3 2114 9.483 -0.995 3.674 0.00 0.00 SOLV ATOM 12336 H2 TIP3 2114 8.594 -2.271 3.387 0.00 0.00 SOLV ATOM 12337 OH2 TIP3 2115 6.963 -5.510 5.100 0.00 0.00 SOLV ATOM 12338 H1 TIP3 2115 7.576 -6.188 5.381 0.00 0.00 SOLV ATOM 12339 H2 TIP3 2115 6.222 -5.660 5.776 0.00 0.00 SOLV ATOM 12340 OH2 TIP3 2116 18.650 1.675 -45.818 0.00 0.00 SOLV ATOM 12341 H1 TIP3 2116 18.094 0.871 -45.860 0.00 0.00 SOLV ATOM 12342 H2 TIP3 2116 19.211 1.554 -46.570 0.00 0.00 SOLV ATOM 12343 OH2 TIP3 2117 20.928 -17.131 -41.718 0.00 0.00 SOLV ATOM 12344 H1 TIP3 2117 21.726 -17.685 -41.591 0.00 0.00 SOLV ATOM 12345 H2 TIP3 2117 21.371 -16.259 -41.761 0.00 0.00 SOLV ATOM 12346 OH2 TIP3 2118 -10.385 -15.056 1.265 0.00 0.00 SOLV ATOM 12347 H1 TIP3 2118 -10.296 -15.911 1.626 0.00 0.00 SOLV ATOM 12348 H2 TIP3 2118 -9.648 -14.589 1.563 0.00 0.00 SOLV ATOM 12349 OH2 TIP3 2119 11.886 -2.694 -53.518 0.00 0.00 SOLV ATOM 12350 H1 TIP3 2119 11.922 -2.580 -54.501 0.00 0.00 SOLV ATOM 12351 H2 TIP3 2119 12.781 -2.529 -53.195 0.00 0.00 SOLV ATOM 12352 OH2 TIP3 2120 10.125 4.429 -42.090 0.00 0.00 SOLV ATOM 12353 H1 TIP3 2120 10.920 3.947 -42.060 0.00 0.00 SOLV ATOM 12354 H2 TIP3 2120 10.064 4.397 -41.114 0.00 0.00 SOLV ATOM 12355 OH2 TIP3 2121 18.249 -18.917 -36.077 0.00 0.00 SOLV ATOM 12356 H1 TIP3 2121 19.105 -18.489 -35.947 0.00 0.00 SOLV ATOM 12357 H2 TIP3 2121 17.639 -18.237 -35.887 0.00 0.00 SOLV ATOM 12358 OH2 TIP3 2122 -3.455 -16.870 -28.088 0.00 0.00 SOLV ATOM 12359 H1 TIP3 2122 -3.586 -17.841 -28.174 0.00 0.00 SOLV ATOM 12360 H2 TIP3 2122 -3.185 -16.618 -28.978 0.00 0.00 SOLV ATOM 12361 OH2 TIP3 2123 7.345 -17.879 -17.371 0.00 0.00 SOLV ATOM 12362 H1 TIP3 2123 6.951 -18.278 -16.616 0.00 0.00 SOLV ATOM 12363 H2 TIP3 2123 7.015 -18.449 -18.109 0.00 0.00 SOLV ATOM 12364 OH2 TIP3 2124 18.590 -5.087 0.051 0.00 0.00 SOLV ATOM 12365 H1 TIP3 2124 19.451 -5.046 0.515 0.00 0.00 SOLV ATOM 12366 H2 TIP3 2124 18.305 -5.964 0.395 0.00 0.00 SOLV ATOM 12367 OH2 TIP3 2125 9.004 6.966 -53.043 0.00 0.00 SOLV ATOM 12368 H1 TIP3 2125 8.156 6.780 -52.684 0.00 0.00 SOLV ATOM 12369 H2 TIP3 2125 9.603 6.795 -52.320 0.00 0.00 SOLV ATOM 12370 OH2 TIP3 2126 12.311 -0.311 -51.506 0.00 0.00 SOLV ATOM 12371 H1 TIP3 2126 13.313 -0.105 -51.263 0.00 0.00 SOLV ATOM 12372 H2 TIP3 2126 12.376 -0.458 -52.486 0.00 0.00 SOLV ATOM 12373 OH2 TIP3 2127 13.105 0.292 -54.083 0.00 0.00 SOLV ATOM 12374 H1 TIP3 2127 13.116 0.196 -55.060 0.00 0.00 SOLV ATOM 12375 H2 TIP3 2127 13.581 1.102 -53.953 0.00 0.00 SOLV ATOM 12376 OH2 TIP3 2128 6.167 -16.345 -35.201 0.00 0.00 SOLV ATOM 12377 H1 TIP3 2128 7.131 -16.481 -35.221 0.00 0.00 SOLV ATOM 12378 H2 TIP3 2128 5.934 -15.909 -36.088 0.00 0.00 SOLV ATOM 12379 OH2 TIP3 2129 7.523 8.668 -45.850 0.00 0.00 SOLV ATOM 12380 H1 TIP3 2129 7.527 9.605 -45.896 0.00 0.00 SOLV ATOM 12381 H2 TIP3 2129 8.414 8.417 -45.712 0.00 0.00 SOLV ATOM 12382 OH2 TIP3 2130 12.197 17.534 -37.548 0.00 0.00 SOLV ATOM 12383 H1 TIP3 2130 11.430 18.063 -37.197 0.00 0.00 SOLV ATOM 12384 H2 TIP3 2130 12.929 18.028 -37.206 0.00 0.00 SOLV ATOM 12385 OH2 TIP3 2131 -10.895 -13.905 -32.130 0.00 0.00 SOLV ATOM 12386 H1 TIP3 2131 -10.918 -13.332 -32.938 0.00 0.00 SOLV ATOM 12387 H2 TIP3 2131 -9.952 -13.844 -31.909 0.00 0.00 SOLV ATOM 12388 OH2 TIP3 2132 25.581 23.767 -17.571 0.00 0.00 SOLV ATOM 12389 H1 TIP3 2132 24.649 23.773 -17.755 0.00 0.00 SOLV ATOM 12390 H2 TIP3 2132 25.533 23.622 -16.636 0.00 0.00 SOLV ATOM 12391 OH2 TIP3 2133 5.681 -11.941 -16.432 0.00 0.00 SOLV ATOM 12392 H1 TIP3 2133 4.832 -11.995 -16.904 0.00 0.00 SOLV ATOM 12393 H2 TIP3 2133 6.194 -11.283 -16.947 0.00 0.00 SOLV ATOM 12394 OH2 TIP3 2134 6.044 -8.893 -30.377 0.00 0.00 SOLV ATOM 12395 H1 TIP3 2134 7.001 -8.662 -30.427 0.00 0.00 SOLV ATOM 12396 H2 TIP3 2134 6.004 -9.176 -29.398 0.00 0.00 SOLV ATOM 12397 OH2 TIP3 2135 11.112 -12.905 1.344 0.00 0.00 SOLV ATOM 12398 H1 TIP3 2135 10.902 -13.178 0.473 0.00 0.00 SOLV ATOM 12399 H2 TIP3 2135 12.109 -12.826 1.224 0.00 0.00 SOLV ATOM 12400 OH2 TIP3 2136 12.050 -15.278 -18.172 0.00 0.00 SOLV ATOM 12401 H1 TIP3 2136 12.011 -16.221 -18.218 0.00 0.00 SOLV ATOM 12402 H2 TIP3 2136 11.156 -15.058 -17.898 0.00 0.00 SOLV ATOM 12403 OH2 TIP3 2137 6.924 -1.221 -6.702 0.00 0.00 SOLV ATOM 12404 H1 TIP3 2137 7.074 -2.200 -6.506 0.00 0.00 SOLV ATOM 12405 H2 TIP3 2137 7.055 -0.809 -5.855 0.00 0.00 SOLV ATOM 12406 OH2 TIP3 2138 -10.009 -31.223 18.473 0.00 0.00 SOLV ATOM 12407 H1 TIP3 2138 -9.381 -30.514 18.805 0.00 0.00 SOLV ATOM 12408 H2 TIP3 2138 -9.449 -31.982 18.432 0.00 0.00 SOLV ATOM 12409 OH2 TIP3 2139 -16.992 -11.517 -16.500 0.00 0.00 SOLV ATOM 12410 H1 TIP3 2139 -16.053 -11.141 -16.343 0.00 0.00 SOLV ATOM 12411 H2 TIP3 2139 -16.890 -12.066 -17.290 0.00 0.00 SOLV ATOM 12412 OH2 TIP3 2140 11.943 10.519 -15.398 0.00 0.00 SOLV ATOM 12413 H1 TIP3 2140 11.111 10.725 -14.907 0.00 0.00 SOLV ATOM 12414 H2 TIP3 2140 12.380 9.829 -14.799 0.00 0.00 SOLV ATOM 12415 OH2 TIP3 2141 26.159 3.404 -41.598 0.00 0.00 SOLV ATOM 12416 H1 TIP3 2141 26.962 3.878 -41.899 0.00 0.00 SOLV ATOM 12417 H2 TIP3 2141 26.387 2.448 -41.421 0.00 0.00 SOLV ATOM 12418 OH2 TIP3 2142 3.968 9.624 -37.877 0.00 0.00 SOLV ATOM 12419 H1 TIP3 2142 3.737 8.786 -37.409 0.00 0.00 SOLV ATOM 12420 H2 TIP3 2142 4.914 9.484 -38.115 0.00 0.00 SOLV ATOM 12421 OH2 TIP3 2143 1.985 4.645 -33.212 0.00 0.00 SOLV ATOM 12422 H1 TIP3 2143 2.845 4.278 -33.077 0.00 0.00 SOLV ATOM 12423 H2 TIP3 2143 1.560 4.222 -32.454 0.00 0.00 SOLV ATOM 12424 OH2 TIP3 2144 -13.241 1.474 -23.631 0.00 0.00 SOLV ATOM 12425 H1 TIP3 2144 -12.662 1.249 -24.387 0.00 0.00 SOLV ATOM 12426 H2 TIP3 2144 -13.438 0.589 -23.396 0.00 0.00 SOLV ATOM 12427 OH2 TIP3 2145 17.596 -2.529 -0.538 0.00 0.00 SOLV ATOM 12428 H1 TIP3 2145 17.688 -2.959 0.354 0.00 0.00 SOLV ATOM 12429 H2 TIP3 2145 16.731 -2.920 -0.905 0.00 0.00 SOLV ATOM 12430 OH2 TIP3 2146 -2.104 -19.145 -5.430 0.00 0.00 SOLV ATOM 12431 H1 TIP3 2146 -2.186 -18.211 -5.683 0.00 0.00 SOLV ATOM 12432 H2 TIP3 2146 -2.767 -19.214 -4.704 0.00 0.00 SOLV ATOM 12433 OH2 TIP3 2147 11.759 -16.558 13.854 0.00 0.00 SOLV ATOM 12434 H1 TIP3 2147 11.728 -16.868 14.815 0.00 0.00 SOLV ATOM 12435 H2 TIP3 2147 11.659 -15.600 13.868 0.00 0.00 SOLV ATOM 12436 OH2 TIP3 2148 22.291 -0.666 -19.020 0.00 0.00 SOLV ATOM 12437 H1 TIP3 2148 22.093 -0.608 -19.967 0.00 0.00 SOLV ATOM 12438 H2 TIP3 2148 23.177 -0.326 -18.991 0.00 0.00 SOLV ATOM 12439 OH2 TIP3 2149 11.955 22.948 -22.669 0.00 0.00 SOLV ATOM 12440 H1 TIP3 2149 11.762 21.998 -22.523 0.00 0.00 SOLV ATOM 12441 H2 TIP3 2149 11.140 23.257 -23.007 0.00 0.00 SOLV ATOM 12442 OH2 TIP3 2150 5.280 25.739 -10.904 0.00 0.00 SOLV ATOM 12443 H1 TIP3 2150 5.623 26.631 -10.986 0.00 0.00 SOLV ATOM 12444 H2 TIP3 2150 6.053 25.179 -11.057 0.00 0.00 SOLV ATOM 12445 OH2 TIP3 2151 17.780 -1.247 -41.732 0.00 0.00 SOLV ATOM 12446 H1 TIP3 2151 18.373 -0.550 -41.991 0.00 0.00 SOLV ATOM 12447 H2 TIP3 2151 18.014 -1.453 -40.776 0.00 0.00 SOLV ATOM 12448 OH2 TIP3 2152 15.920 11.971 1.099 0.00 0.00 SOLV ATOM 12449 H1 TIP3 2152 16.862 11.827 1.399 0.00 0.00 SOLV ATOM 12450 H2 TIP3 2152 15.881 12.812 0.673 0.00 0.00 SOLV ATOM 12451 OH2 TIP3 2153 7.327 3.032 -48.107 0.00 0.00 SOLV ATOM 12452 H1 TIP3 2153 6.840 3.249 -48.902 0.00 0.00 SOLV ATOM 12453 H2 TIP3 2153 8.035 2.479 -48.470 0.00 0.00 SOLV ATOM 12454 OH2 TIP3 2154 4.081 10.753 -47.741 0.00 0.00 SOLV ATOM 12455 H1 TIP3 2154 3.779 9.928 -47.392 0.00 0.00 SOLV ATOM 12456 H2 TIP3 2154 5.018 10.608 -47.822 0.00 0.00 SOLV ATOM 12457 OH2 TIP3 2155 -2.807 -20.756 -22.996 0.00 0.00 SOLV ATOM 12458 H1 TIP3 2155 -2.913 -20.267 -22.175 0.00 0.00 SOLV ATOM 12459 H2 TIP3 2155 -2.749 -21.687 -22.752 0.00 0.00 SOLV ATOM 12460 OH2 TIP3 2156 22.738 14.176 -41.658 0.00 0.00 SOLV ATOM 12461 H1 TIP3 2156 21.827 14.146 -41.426 0.00 0.00 SOLV ATOM 12462 H2 TIP3 2156 23.032 13.253 -41.739 0.00 0.00 SOLV ATOM 12463 OH2 TIP3 2157 5.262 12.795 -41.062 0.00 0.00 SOLV ATOM 12464 H1 TIP3 2157 4.837 12.896 -41.943 0.00 0.00 SOLV ATOM 12465 H2 TIP3 2157 6.108 13.092 -41.197 0.00 0.00 SOLV ATOM 12466 OH2 TIP3 2158 -3.314 12.398 -47.641 0.00 0.00 SOLV ATOM 12467 H1 TIP3 2158 -3.907 11.893 -47.195 0.00 0.00 SOLV ATOM 12468 H2 TIP3 2158 -3.643 13.291 -47.548 0.00 0.00 SOLV ATOM 12469 OH2 TIP3 2159 21.221 1.898 -47.510 0.00 0.00 SOLV ATOM 12470 H1 TIP3 2159 21.187 1.482 -48.427 0.00 0.00 SOLV ATOM 12471 H2 TIP3 2159 21.410 1.145 -46.963 0.00 0.00 SOLV ATOM 12472 OH2 TIP3 2160 28.369 7.041 -41.203 0.00 0.00 SOLV ATOM 12473 H1 TIP3 2160 27.627 7.222 -41.860 0.00 0.00 SOLV ATOM 12474 H2 TIP3 2160 28.075 7.454 -40.359 0.00 0.00 SOLV ATOM 12475 OH2 TIP3 2161 7.917 -6.742 -46.877 0.00 0.00 SOLV ATOM 12476 H1 TIP3 2161 8.441 -6.628 -47.633 0.00 0.00 SOLV ATOM 12477 H2 TIP3 2161 8.559 -6.442 -46.168 0.00 0.00 SOLV ATOM 12478 OH2 TIP3 2162 -4.192 9.204 -36.861 0.00 0.00 SOLV ATOM 12479 H1 TIP3 2162 -4.452 9.869 -36.233 0.00 0.00 SOLV ATOM 12480 H2 TIP3 2162 -3.235 9.200 -36.838 0.00 0.00 SOLV ATOM 12481 OH2 TIP3 2163 10.435 13.181 -42.233 0.00 0.00 SOLV ATOM 12482 H1 TIP3 2163 10.829 12.633 -43.000 0.00 0.00 SOLV ATOM 12483 H2 TIP3 2163 11.161 13.740 -41.921 0.00 0.00 SOLV ATOM 12484 OH2 TIP3 2164 -13.150 -26.793 16.115 0.00 0.00 SOLV ATOM 12485 H1 TIP3 2164 -12.334 -26.970 15.624 0.00 0.00 SOLV ATOM 12486 H2 TIP3 2164 -13.749 -26.364 15.433 0.00 0.00 SOLV ATOM 12487 OH2 TIP3 2165 -19.150 13.439 19.655 0.00 0.00 SOLV ATOM 12488 H1 TIP3 2165 -20.032 13.853 19.644 0.00 0.00 SOLV ATOM 12489 H2 TIP3 2165 -19.261 12.705 19.039 0.00 0.00 SOLV ATOM 12490 OH2 TIP3 2166 -0.144 5.513 -46.404 0.00 0.00 SOLV ATOM 12491 H1 TIP3 2166 0.694 5.791 -46.741 0.00 0.00 SOLV ATOM 12492 H2 TIP3 2166 0.055 5.193 -45.525 0.00 0.00 SOLV ATOM 12493 OH2 TIP3 2167 -15.742 0.305 -10.668 0.00 0.00 SOLV ATOM 12494 H1 TIP3 2167 -16.628 0.737 -10.704 0.00 0.00 SOLV ATOM 12495 H2 TIP3 2167 -15.582 0.137 -9.712 0.00 0.00 SOLV ATOM 12496 OH2 TIP3 2168 2.349 5.811 -41.552 0.00 0.00 SOLV ATOM 12497 H1 TIP3 2168 2.135 5.997 -40.668 0.00 0.00 SOLV ATOM 12498 H2 TIP3 2168 2.836 4.961 -41.491 0.00 0.00 SOLV ATOM 12499 OH2 TIP3 2169 14.741 15.946 -29.812 0.00 0.00 SOLV ATOM 12500 H1 TIP3 2169 15.696 15.672 -29.864 0.00 0.00 SOLV ATOM 12501 H2 TIP3 2169 14.284 15.352 -30.456 0.00 0.00 SOLV ATOM 12502 OH2 TIP3 2170 -4.730 23.961 -25.884 0.00 0.00 SOLV ATOM 12503 H1 TIP3 2170 -4.321 24.784 -25.628 0.00 0.00 SOLV ATOM 12504 H2 TIP3 2170 -4.222 23.628 -26.667 0.00 0.00 SOLV ATOM 12505 OH2 TIP3 2171 4.852 24.016 -3.074 0.00 0.00 SOLV ATOM 12506 H1 TIP3 2171 3.928 23.750 -3.277 0.00 0.00 SOLV ATOM 12507 H2 TIP3 2171 4.895 24.873 -3.505 0.00 0.00 SOLV ATOM 12508 OH2 TIP3 2172 2.966 -3.289 8.242 0.00 0.00 SOLV ATOM 12509 H1 TIP3 2172 3.336 -2.615 7.569 0.00 0.00 SOLV ATOM 12510 H2 TIP3 2172 3.544 -4.085 8.261 0.00 0.00 SOLV ATOM 12511 OH2 TIP3 2173 12.858 2.220 10.082 0.00 0.00 SOLV ATOM 12512 H1 TIP3 2173 13.745 2.509 10.170 0.00 0.00 SOLV ATOM 12513 H2 TIP3 2173 12.729 1.610 10.865 0.00 0.00 SOLV ATOM 12514 OH2 TIP3 2174 6.776 -19.396 6.715 0.00 0.00 SOLV ATOM 12515 H1 TIP3 2174 6.856 -19.829 7.593 0.00 0.00 SOLV ATOM 12516 H2 TIP3 2174 6.559 -20.120 6.139 0.00 0.00 SOLV ATOM 12517 OH2 TIP3 2175 15.206 8.114 -51.881 0.00 0.00 SOLV ATOM 12518 H1 TIP3 2175 15.146 7.334 -52.430 0.00 0.00 SOLV ATOM 12519 H2 TIP3 2175 15.937 7.888 -51.307 0.00 0.00 SOLV ATOM 12520 OH2 TIP3 2176 17.287 -4.551 -39.694 0.00 0.00 SOLV ATOM 12521 H1 TIP3 2176 17.033 -4.736 -38.764 0.00 0.00 SOLV ATOM 12522 H2 TIP3 2176 17.547 -3.636 -39.607 0.00 0.00 SOLV ATOM 12523 OH2 TIP3 2177 10.770 -6.899 -42.599 0.00 0.00 SOLV ATOM 12524 H1 TIP3 2177 9.796 -7.173 -42.695 0.00 0.00 SOLV ATOM 12525 H2 TIP3 2177 11.303 -7.725 -42.515 0.00 0.00 SOLV ATOM 12526 OH2 TIP3 2178 13.112 0.457 2.673 0.00 0.00 SOLV ATOM 12527 H1 TIP3 2178 12.882 -0.085 3.463 0.00 0.00 SOLV ATOM 12528 H2 TIP3 2178 12.877 -0.134 1.921 0.00 0.00 SOLV ATOM 12529 OH2 TIP3 2179 3.380 15.033 9.606 0.00 0.00 SOLV ATOM 12530 H1 TIP3 2179 3.017 15.688 8.959 0.00 0.00 SOLV ATOM 12531 H2 TIP3 2179 4.347 15.156 9.520 0.00 0.00 SOLV ATOM 12532 OH2 TIP3 2180 -0.490 12.010 -45.552 0.00 0.00 SOLV ATOM 12533 H1 TIP3 2180 0.346 12.267 -46.012 0.00 0.00 SOLV ATOM 12534 H2 TIP3 2180 -1.079 11.631 -46.251 0.00 0.00 SOLV ATOM 12535 OH2 TIP3 2181 7.653 10.965 -37.686 0.00 0.00 SOLV ATOM 12536 H1 TIP3 2181 8.478 11.026 -38.221 0.00 0.00 SOLV ATOM 12537 H2 TIP3 2181 6.920 10.873 -38.332 0.00 0.00 SOLV ATOM 12538 OH2 TIP3 2182 -12.849 -11.916 -31.502 0.00 0.00 SOLV ATOM 12539 H1 TIP3 2182 -12.223 -12.617 -31.480 0.00 0.00 SOLV ATOM 12540 H2 TIP3 2182 -12.343 -11.256 -31.949 0.00 0.00 SOLV ATOM 12541 OH2 TIP3 2183 9.395 20.173 -10.837 0.00 0.00 SOLV ATOM 12542 H1 TIP3 2183 9.363 19.321 -10.436 0.00 0.00 SOLV ATOM 12543 H2 TIP3 2183 8.942 20.107 -11.640 0.00 0.00 SOLV ATOM 12544 OH2 TIP3 2184 7.312 -9.952 -35.906 0.00 0.00 SOLV ATOM 12545 H1 TIP3 2184 7.254 -10.812 -35.516 0.00 0.00 SOLV ATOM 12546 H2 TIP3 2184 8.194 -9.891 -36.330 0.00 0.00 SOLV ATOM 12547 OH2 TIP3 2185 15.960 14.996 0.654 0.00 0.00 SOLV ATOM 12548 H1 TIP3 2185 15.493 14.979 1.468 0.00 0.00 SOLV ATOM 12549 H2 TIP3 2185 15.247 14.746 0.005 0.00 0.00 SOLV ATOM 12550 OH2 TIP3 2186 -0.249 -29.691 2.537 0.00 0.00 SOLV ATOM 12551 H1 TIP3 2186 -0.277 -30.669 2.457 0.00 0.00 SOLV ATOM 12552 H2 TIP3 2186 0.722 -29.486 2.543 0.00 0.00 SOLV ATOM 12553 OH2 TIP3 2187 -0.056 -31.949 4.976 0.00 0.00 SOLV ATOM 12554 H1 TIP3 2187 -0.085 -31.023 5.411 0.00 0.00 SOLV ATOM 12555 H2 TIP3 2187 -1.076 -32.150 4.873 0.00 0.00 SOLV ATOM 12556 OH2 TIP3 2188 1.366 -23.112 -16.663 0.00 0.00 SOLV ATOM 12557 H1 TIP3 2188 2.096 -22.756 -16.138 0.00 0.00 SOLV ATOM 12558 H2 TIP3 2188 1.736 -23.842 -17.215 0.00 0.00 SOLV ATOM 12559 OH2 TIP3 2189 13.840 14.843 -49.142 0.00 0.00 SOLV ATOM 12560 H1 TIP3 2189 13.223 14.175 -48.899 0.00 0.00 SOLV ATOM 12561 H2 TIP3 2189 13.363 15.431 -49.678 0.00 0.00 SOLV ATOM 12562 OH2 TIP3 2190 15.228 14.725 -4.332 0.00 0.00 SOLV ATOM 12563 H1 TIP3 2190 14.310 14.619 -4.172 0.00 0.00 SOLV ATOM 12564 H2 TIP3 2190 15.468 15.288 -3.630 0.00 0.00 SOLV ATOM 12565 OH2 TIP3 2191 -9.603 -29.854 -8.762 0.00 0.00 SOLV ATOM 12566 H1 TIP3 2191 -10.010 -30.308 -9.504 0.00 0.00 SOLV ATOM 12567 H2 TIP3 2191 -10.136 -29.060 -8.676 0.00 0.00 SOLV ATOM 12568 OH2 TIP3 2192 0.327 -17.781 -35.931 0.00 0.00 SOLV ATOM 12569 H1 TIP3 2192 0.254 -16.829 -35.685 0.00 0.00 SOLV ATOM 12570 H2 TIP3 2192 0.539 -17.715 -36.886 0.00 0.00 SOLV ATOM 12571 OH2 TIP3 2193 5.398 -23.709 -22.110 0.00 0.00 SOLV ATOM 12572 H1 TIP3 2193 4.547 -23.570 -22.584 0.00 0.00 SOLV ATOM 12573 H2 TIP3 2193 6.023 -23.437 -22.827 0.00 0.00 SOLV ATOM 12574 OH2 TIP3 2194 7.351 -24.252 6.669 0.00 0.00 SOLV ATOM 12575 H1 TIP3 2194 8.006 -24.927 6.882 0.00 0.00 SOLV ATOM 12576 H2 TIP3 2194 6.844 -24.815 6.092 0.00 0.00 SOLV ATOM 12577 OH2 TIP3 2195 7.972 -14.749 -29.021 0.00 0.00 SOLV ATOM 12578 H1 TIP3 2195 7.930 -14.269 -28.143 0.00 0.00 SOLV ATOM 12579 H2 TIP3 2195 8.971 -14.696 -29.173 0.00 0.00 SOLV ATOM 12580 OH2 TIP3 2196 13.928 -21.338 -31.323 0.00 0.00 SOLV ATOM 12581 H1 TIP3 2196 14.841 -21.546 -30.931 0.00 0.00 SOLV ATOM 12582 H2 TIP3 2196 14.115 -21.357 -32.269 0.00 0.00 SOLV ATOM 12583 OH2 TIP3 2197 -3.572 -26.203 -23.627 0.00 0.00 SOLV ATOM 12584 H1 TIP3 2197 -3.367 -25.630 -22.888 0.00 0.00 SOLV ATOM 12585 H2 TIP3 2197 -4.480 -26.082 -23.785 0.00 0.00 SOLV ATOM 12586 OH2 TIP3 2198 5.225 -26.988 -18.759 0.00 0.00 SOLV ATOM 12587 H1 TIP3 2198 5.534 -27.123 -17.843 0.00 0.00 SOLV ATOM 12588 H2 TIP3 2198 4.782 -27.852 -18.908 0.00 0.00 SOLV ATOM 12589 OH2 TIP3 2199 12.129 -27.014 1.512 0.00 0.00 SOLV ATOM 12590 H1 TIP3 2199 12.533 -26.799 2.346 0.00 0.00 SOLV ATOM 12591 H2 TIP3 2199 11.703 -26.123 1.227 0.00 0.00 SOLV ATOM 12592 OH2 TIP3 2200 17.282 -21.284 -40.047 0.00 0.00 SOLV ATOM 12593 H1 TIP3 2200 17.990 -21.084 -39.414 0.00 0.00 SOLV ATOM 12594 H2 TIP3 2200 17.459 -22.215 -40.288 0.00 0.00 SOLV ATOM 12595 OH2 TIP3 2201 16.653 -16.550 -44.615 0.00 0.00 SOLV ATOM 12596 H1 TIP3 2201 17.369 -16.857 -44.047 0.00 0.00 SOLV ATOM 12597 H2 TIP3 2201 16.969 -16.801 -45.508 0.00 0.00 SOLV ATOM 12598 OH2 TIP3 2202 9.871 -17.649 -34.970 0.00 0.00 SOLV ATOM 12599 H1 TIP3 2202 9.667 -18.202 -35.781 0.00 0.00 SOLV ATOM 12600 H2 TIP3 2202 9.859 -18.315 -34.229 0.00 0.00 SOLV ATOM 12601 OH2 TIP3 2203 -5.327 -19.243 -32.706 0.00 0.00 SOLV ATOM 12602 H1 TIP3 2203 -4.956 -18.749 -33.462 0.00 0.00 SOLV ATOM 12603 H2 TIP3 2203 -5.078 -18.647 -31.958 0.00 0.00 SOLV ATOM 12604 OH2 TIP3 2204 -0.042 -22.997 -18.918 0.00 0.00 SOLV ATOM 12605 H1 TIP3 2204 0.572 -23.293 -19.717 0.00 0.00 SOLV ATOM 12606 H2 TIP3 2204 0.566 -22.912 -18.134 0.00 0.00 SOLV ATOM 12607 OH2 TIP3 2205 7.634 -13.713 -46.490 0.00 0.00 SOLV ATOM 12608 H1 TIP3 2205 7.427 -12.780 -46.618 0.00 0.00 SOLV ATOM 12609 H2 TIP3 2205 8.097 -14.002 -47.324 0.00 0.00 SOLV ATOM 12610 OH2 TIP3 2206 -9.617 -25.114 -15.601 0.00 0.00 SOLV ATOM 12611 H1 TIP3 2206 -9.816 -24.333 -16.162 0.00 0.00 SOLV ATOM 12612 H2 TIP3 2206 -10.255 -25.791 -15.911 0.00 0.00 SOLV ATOM 12613 OH2 TIP3 2207 2.374 -26.123 -26.646 0.00 0.00 SOLV ATOM 12614 H1 TIP3 2207 2.154 -27.090 -26.652 0.00 0.00 SOLV ATOM 12615 H2 TIP3 2207 3.198 -26.161 -27.137 0.00 0.00 SOLV ATOM 12616 OH2 TIP3 2208 17.465 -15.810 6.262 0.00 0.00 SOLV ATOM 12617 H1 TIP3 2208 16.903 -16.611 6.316 0.00 0.00 SOLV ATOM 12618 H2 TIP3 2208 17.707 -15.874 5.273 0.00 0.00 SOLV ATOM 12619 OH2 TIP3 2209 19.392 -17.266 -44.033 0.00 0.00 SOLV ATOM 12620 H1 TIP3 2209 19.922 -17.279 -44.902 0.00 0.00 SOLV ATOM 12621 H2 TIP3 2209 20.070 -16.973 -43.395 0.00 0.00 SOLV ATOM 12622 OH2 TIP3 2210 -2.388 -24.213 -18.795 0.00 0.00 SOLV ATOM 12623 H1 TIP3 2210 -1.446 -23.992 -18.886 0.00 0.00 SOLV ATOM 12624 H2 TIP3 2210 -2.465 -24.333 -17.821 0.00 0.00 SOLV ATOM 12625 OH2 TIP3 2211 13.842 -19.640 -27.223 0.00 0.00 SOLV ATOM 12626 H1 TIP3 2211 14.259 -19.103 -26.583 0.00 0.00 SOLV ATOM 12627 H2 TIP3 2211 13.683 -20.509 -26.840 0.00 0.00 SOLV ATOM 12628 OH2 TIP3 2212 9.395 -14.646 -18.091 0.00 0.00 SOLV ATOM 12629 H1 TIP3 2212 8.848 -13.888 -18.341 0.00 0.00 SOLV ATOM 12630 H2 TIP3 2212 8.783 -15.341 -18.095 0.00 0.00 SOLV ATOM 12631 OH2 TIP3 2213 21.777 -17.576 -26.657 0.00 0.00 SOLV ATOM 12632 H1 TIP3 2213 22.214 -18.078 -25.987 0.00 0.00 SOLV ATOM 12633 H2 TIP3 2213 21.302 -16.936 -26.142 0.00 0.00 SOLV ATOM 12634 OH2 TIP3 2214 5.810 -10.284 -7.373 0.00 0.00 SOLV ATOM 12635 H1 TIP3 2214 6.133 -9.915 -8.227 0.00 0.00 SOLV ATOM 12636 H2 TIP3 2214 6.359 -9.831 -6.667 0.00 0.00 SOLV ATOM 12637 OH2 TIP3 2215 11.900 -31.456 6.065 0.00 0.00 SOLV ATOM 12638 H1 TIP3 2215 11.849 -30.725 6.731 0.00 0.00 SOLV ATOM 12639 H2 TIP3 2215 11.864 -30.975 5.221 0.00 0.00 SOLV ATOM 12640 OH2 TIP3 2216 3.704 -27.959 3.161 0.00 0.00 SOLV ATOM 12641 H1 TIP3 2216 3.222 -28.142 2.396 0.00 0.00 SOLV ATOM 12642 H2 TIP3 2216 4.104 -28.776 3.291 0.00 0.00 SOLV ATOM 12643 OH2 TIP3 2217 5.964 -15.183 -37.632 0.00 0.00 SOLV ATOM 12644 H1 TIP3 2217 5.078 -14.839 -37.467 0.00 0.00 SOLV ATOM 12645 H2 TIP3 2217 6.432 -14.567 -38.260 0.00 0.00 SOLV ATOM 12646 OH2 TIP3 2218 -7.619 -24.597 -17.652 0.00 0.00 SOLV ATOM 12647 H1 TIP3 2218 -7.987 -25.187 -17.057 0.00 0.00 SOLV ATOM 12648 H2 TIP3 2218 -6.861 -25.022 -18.040 0.00 0.00 SOLV ATOM 12649 OH2 TIP3 2219 7.726 -14.203 0.343 0.00 0.00 SOLV ATOM 12650 H1 TIP3 2219 7.375 -13.396 -0.048 0.00 0.00 SOLV ATOM 12651 H2 TIP3 2219 7.952 -13.907 1.225 0.00 0.00 SOLV ATOM 12652 OH2 TIP3 2220 -0.605 -23.872 -14.241 0.00 0.00 SOLV ATOM 12653 H1 TIP3 2220 -0.965 -24.761 -14.139 0.00 0.00 SOLV ATOM 12654 H2 TIP3 2220 0.068 -24.016 -14.862 0.00 0.00 SOLV ATOM 12655 OH2 TIP3 2221 1.536 -11.383 -1.662 0.00 0.00 SOLV ATOM 12656 H1 TIP3 2221 1.067 -10.750 -2.157 0.00 0.00 SOLV ATOM 12657 H2 TIP3 2221 0.853 -11.923 -1.245 0.00 0.00 SOLV ATOM 12658 OH2 TIP3 2222 13.290 -16.907 -21.067 0.00 0.00 SOLV ATOM 12659 H1 TIP3 2222 13.800 -16.179 -21.388 0.00 0.00 SOLV ATOM 12660 H2 TIP3 2222 12.529 -16.810 -21.679 0.00 0.00 SOLV ATOM 12661 OH2 TIP3 2223 -1.355 -22.764 4.791 0.00 0.00 SOLV ATOM 12662 H1 TIP3 2223 -1.008 -23.213 3.980 0.00 0.00 SOLV ATOM 12663 H2 TIP3 2223 -2.220 -22.449 4.469 0.00 0.00 SOLV ATOM 12664 OH2 TIP3 2224 22.013 -11.130 -45.876 0.00 0.00 SOLV ATOM 12665 H1 TIP3 2224 21.965 -12.099 -45.667 0.00 0.00 SOLV ATOM 12666 H2 TIP3 2224 22.469 -11.097 -46.789 0.00 0.00 SOLV ATOM 12667 OH2 TIP3 2225 -2.460 1.915 -45.023 0.00 0.00 SOLV ATOM 12668 H1 TIP3 2225 -1.998 2.551 -45.563 0.00 0.00 SOLV ATOM 12669 H2 TIP3 2225 -2.695 1.218 -45.661 0.00 0.00 SOLV ATOM 12670 OH2 TIP3 2226 28.746 2.365 -35.988 0.00 0.00 SOLV ATOM 12671 H1 TIP3 2226 29.679 2.580 -35.864 0.00 0.00 SOLV ATOM 12672 H2 TIP3 2226 28.459 2.351 -35.063 0.00 0.00 SOLV ATOM 12673 OH2 TIP3 2227 20.018 -21.667 -22.438 0.00 0.00 SOLV ATOM 12674 H1 TIP3 2227 20.396 -21.924 -21.573 0.00 0.00 SOLV ATOM 12675 H2 TIP3 2227 19.116 -21.420 -22.161 0.00 0.00 SOLV ATOM 12676 OH2 TIP3 2228 8.052 -17.036 -42.827 0.00 0.00 SOLV ATOM 12677 H1 TIP3 2228 8.301 -17.796 -43.357 0.00 0.00 SOLV ATOM 12678 H2 TIP3 2228 8.290 -16.298 -43.316 0.00 0.00 SOLV ATOM 12679 OH2 TIP3 2229 26.452 -4.227 -31.869 0.00 0.00 SOLV ATOM 12680 H1 TIP3 2229 27.025 -4.044 -31.031 0.00 0.00 SOLV ATOM 12681 H2 TIP3 2229 25.749 -3.548 -31.890 0.00 0.00 SOLV ATOM 12682 OH2 TIP3 2230 7.302 -8.919 -5.560 0.00 0.00 SOLV ATOM 12683 H1 TIP3 2230 8.066 -8.598 -6.061 0.00 0.00 SOLV ATOM 12684 H2 TIP3 2230 6.883 -8.057 -5.290 0.00 0.00 SOLV ATOM 12685 OH2 TIP3 2231 4.805 -13.829 -20.144 0.00 0.00 SOLV ATOM 12686 H1 TIP3 2231 4.285 -14.064 -19.311 0.00 0.00 SOLV ATOM 12687 H2 TIP3 2231 5.395 -14.564 -20.192 0.00 0.00 SOLV ATOM 12688 OH2 TIP3 2232 10.618 -20.265 -15.364 0.00 0.00 SOLV ATOM 12689 H1 TIP3 2232 11.567 -20.368 -15.575 0.00 0.00 SOLV ATOM 12690 H2 TIP3 2232 10.239 -21.068 -15.858 0.00 0.00 SOLV ATOM 12691 OH2 TIP3 2233 6.277 -3.215 0.989 0.00 0.00 SOLV ATOM 12692 H1 TIP3 2233 6.628 -2.399 0.704 0.00 0.00 SOLV ATOM 12693 H2 TIP3 2233 6.455 -3.127 1.934 0.00 0.00 SOLV ATOM 12694 OH2 TIP3 2234 16.628 -0.101 -6.389 0.00 0.00 SOLV ATOM 12695 H1 TIP3 2234 15.669 0.024 -6.556 0.00 0.00 SOLV ATOM 12696 H2 TIP3 2234 17.000 0.535 -7.055 0.00 0.00 SOLV ATOM 12697 OH2 TIP3 2235 9.646 -12.787 5.716 0.00 0.00 SOLV ATOM 12698 H1 TIP3 2235 9.772 -13.647 6.102 0.00 0.00 SOLV ATOM 12699 H2 TIP3 2235 8.638 -12.727 5.690 0.00 0.00 SOLV ATOM 12700 OH2 TIP3 2236 22.788 -10.495 -39.304 0.00 0.00 SOLV ATOM 12701 H1 TIP3 2236 22.939 -9.676 -38.865 0.00 0.00 SOLV ATOM 12702 H2 TIP3 2236 22.488 -11.061 -38.585 0.00 0.00 SOLV ATOM 12703 OH2 TIP3 2237 10.152 -0.875 -49.159 0.00 0.00 SOLV ATOM 12704 H1 TIP3 2237 10.685 -0.266 -49.669 0.00 0.00 SOLV ATOM 12705 H2 TIP3 2237 9.996 -0.398 -48.358 0.00 0.00 SOLV ATOM 12706 OH2 TIP3 2238 9.495 -12.891 -32.197 0.00 0.00 SOLV ATOM 12707 H1 TIP3 2238 10.223 -12.277 -32.541 0.00 0.00 SOLV ATOM 12708 H2 TIP3 2238 8.669 -12.387 -32.240 0.00 0.00 SOLV ATOM 12709 OH2 TIP3 2239 4.665 -16.819 -29.248 0.00 0.00 SOLV ATOM 12710 H1 TIP3 2239 3.695 -16.907 -29.274 0.00 0.00 SOLV ATOM 12711 H2 TIP3 2239 4.803 -16.159 -28.587 0.00 0.00 SOLV ATOM 12712 OH2 TIP3 2240 4.410 -16.867 -18.945 0.00 0.00 SOLV ATOM 12713 H1 TIP3 2240 4.778 -16.866 -19.803 0.00 0.00 SOLV ATOM 12714 H2 TIP3 2240 4.817 -17.707 -18.567 0.00 0.00 SOLV ATOM 12715 OH2 TIP3 2241 10.461 -23.724 -32.896 0.00 0.00 SOLV ATOM 12716 H1 TIP3 2241 10.202 -23.361 -32.051 0.00 0.00 SOLV ATOM 12717 H2 TIP3 2241 10.449 -22.998 -33.594 0.00 0.00 SOLV ATOM 12718 OH2 TIP3 2242 7.018 -20.256 -15.983 0.00 0.00 SOLV ATOM 12719 H1 TIP3 2242 6.541 -20.961 -16.481 0.00 0.00 SOLV ATOM 12720 H2 TIP3 2242 7.713 -20.743 -15.530 0.00 0.00 SOLV ATOM 12721 OH2 TIP3 2243 2.763 -24.925 -18.143 0.00 0.00 SOLV ATOM 12722 H1 TIP3 2243 3.310 -25.699 -17.817 0.00 0.00 SOLV ATOM 12723 H2 TIP3 2243 3.100 -24.786 -19.050 0.00 0.00 SOLV ATOM 12724 OH2 TIP3 2244 18.521 -5.612 3.024 0.00 0.00 SOLV ATOM 12725 H1 TIP3 2244 18.567 -6.512 3.409 0.00 0.00 SOLV ATOM 12726 H2 TIP3 2244 17.577 -5.486 2.807 0.00 0.00 SOLV ATOM 12727 OH2 TIP3 2245 0.429 0.775 -37.259 0.00 0.00 SOLV ATOM 12728 H1 TIP3 2245 -0.431 1.129 -37.605 0.00 0.00 SOLV ATOM 12729 H2 TIP3 2245 0.744 1.458 -36.625 0.00 0.00 SOLV ATOM 12730 OH2 TIP3 2246 7.762 -16.569 -4.344 0.00 0.00 SOLV ATOM 12731 H1 TIP3 2246 7.882 -16.191 -3.469 0.00 0.00 SOLV ATOM 12732 H2 TIP3 2246 7.488 -17.417 -4.215 0.00 0.00 SOLV ATOM 12733 OH2 TIP3 2247 14.891 -3.096 -49.321 0.00 0.00 SOLV ATOM 12734 H1 TIP3 2247 15.505 -2.847 -50.092 0.00 0.00 SOLV ATOM 12735 H2 TIP3 2247 14.059 -3.164 -49.724 0.00 0.00 SOLV ATOM 12736 OH2 TIP3 2248 -11.382 -1.866 -26.986 0.00 0.00 SOLV ATOM 12737 H1 TIP3 2248 -11.716 -2.038 -26.079 0.00 0.00 SOLV ATOM 12738 H2 TIP3 2248 -11.858 -2.534 -27.562 0.00 0.00 SOLV ATOM 12739 OH2 TIP3 2249 -13.554 -8.545 -30.520 0.00 0.00 SOLV ATOM 12740 H1 TIP3 2249 -12.590 -8.799 -30.504 0.00 0.00 SOLV ATOM 12741 H2 TIP3 2249 -13.509 -7.691 -30.954 0.00 0.00 SOLV ATOM 12742 OH2 TIP3 2250 -4.750 -3.051 2.398 0.00 0.00 SOLV ATOM 12743 H1 TIP3 2250 -5.157 -2.376 2.885 0.00 0.00 SOLV ATOM 12744 H2 TIP3 2250 -4.512 -2.571 1.610 0.00 0.00 SOLV ATOM 12745 OH2 TIP3 2251 17.288 -12.073 -12.527 0.00 0.00 SOLV ATOM 12746 H1 TIP3 2251 16.392 -11.766 -12.891 0.00 0.00 SOLV ATOM 12747 H2 TIP3 2251 17.249 -11.689 -11.612 0.00 0.00 SOLV ATOM 12748 OH2 TIP3 2252 5.517 -19.990 -3.182 0.00 0.00 SOLV ATOM 12749 H1 TIP3 2252 5.580 -19.458 -2.370 0.00 0.00 SOLV ATOM 12750 H2 TIP3 2252 4.501 -20.113 -3.386 0.00 0.00 SOLV ATOM 12751 OH2 TIP3 2253 26.456 15.279 -14.012 0.00 0.00 SOLV ATOM 12752 H1 TIP3 2253 27.027 15.387 -14.792 0.00 0.00 SOLV ATOM 12753 H2 TIP3 2253 26.761 15.972 -13.327 0.00 0.00 SOLV ATOM 12754 OH2 TIP3 2254 5.881 -16.606 -21.153 0.00 0.00 SOLV ATOM 12755 H1 TIP3 2254 6.734 -17.055 -20.930 0.00 0.00 SOLV ATOM 12756 H2 TIP3 2254 5.626 -17.049 -21.979 0.00 0.00 SOLV ATOM 12757 OH2 TIP3 2255 1.846 -25.918 7.144 0.00 0.00 SOLV ATOM 12758 H1 TIP3 2255 1.084 -26.091 6.618 0.00 0.00 SOLV ATOM 12759 H2 TIP3 2255 1.887 -24.913 7.089 0.00 0.00 SOLV ATOM 12760 OH2 TIP3 2256 13.616 -10.486 5.952 0.00 0.00 SOLV ATOM 12761 H1 TIP3 2256 13.424 -11.034 6.748 0.00 0.00 SOLV ATOM 12762 H2 TIP3 2256 14.536 -10.585 5.827 0.00 0.00 SOLV ATOM 12763 OH2 TIP3 2257 11.572 2.067 -0.031 0.00 0.00 SOLV ATOM 12764 H1 TIP3 2257 11.770 2.503 -0.948 0.00 0.00 SOLV ATOM 12765 H2 TIP3 2257 12.392 1.625 0.218 0.00 0.00 SOLV ATOM 12766 OH2 TIP3 2258 2.221 -12.054 -38.487 0.00 0.00 SOLV ATOM 12767 H1 TIP3 2258 1.829 -11.417 -37.928 0.00 0.00 SOLV ATOM 12768 H2 TIP3 2258 1.448 -12.484 -38.926 0.00 0.00 SOLV ATOM 12769 OH2 TIP3 2259 16.189 -10.583 4.289 0.00 0.00 SOLV ATOM 12770 H1 TIP3 2259 16.457 -11.493 4.045 0.00 0.00 SOLV ATOM 12771 H2 TIP3 2259 15.422 -10.356 3.751 0.00 0.00 SOLV ATOM 12772 OH2 TIP3 2260 3.571 -7.748 -40.748 0.00 0.00 SOLV ATOM 12773 H1 TIP3 2260 2.952 -7.387 -40.132 0.00 0.00 SOLV ATOM 12774 H2 TIP3 2260 4.360 -7.912 -40.205 0.00 0.00 SOLV ATOM 12775 OH2 TIP3 2261 -2.205 -9.785 -47.145 0.00 0.00 SOLV ATOM 12776 H1 TIP3 2261 -1.799 -9.160 -47.737 0.00 0.00 SOLV ATOM 12777 H2 TIP3 2261 -2.407 -10.531 -47.736 0.00 0.00 SOLV ATOM 12778 OH2 TIP3 2262 15.703 -4.425 -43.885 0.00 0.00 SOLV ATOM 12779 H1 TIP3 2262 15.737 -5.155 -43.262 0.00 0.00 SOLV ATOM 12780 H2 TIP3 2262 14.892 -4.501 -44.363 0.00 0.00 SOLV ATOM 12781 OH2 TIP3 2263 14.542 -8.133 -44.106 0.00 0.00 SOLV ATOM 12782 H1 TIP3 2263 14.008 -8.941 -43.987 0.00 0.00 SOLV ATOM 12783 H2 TIP3 2263 15.365 -8.565 -44.504 0.00 0.00 SOLV ATOM 12784 OH2 TIP3 2264 17.096 -15.999 -24.301 0.00 0.00 SOLV ATOM 12785 H1 TIP3 2264 16.866 -15.880 -23.339 0.00 0.00 SOLV ATOM 12786 H2 TIP3 2264 18.010 -15.840 -24.340 0.00 0.00 SOLV ATOM 12787 OH2 TIP3 2265 10.998 -11.807 -44.117 0.00 0.00 SOLV ATOM 12788 H1 TIP3 2265 10.405 -12.535 -43.749 0.00 0.00 SOLV ATOM 12789 H2 TIP3 2265 11.327 -12.361 -44.843 0.00 0.00 SOLV ATOM 12790 OH2 TIP3 2266 9.600 -22.298 -20.794 0.00 0.00 SOLV ATOM 12791 H1 TIP3 2266 10.266 -21.594 -20.618 0.00 0.00 SOLV ATOM 12792 H2 TIP3 2266 9.659 -22.823 -19.932 0.00 0.00 SOLV ATOM 12793 OH2 TIP3 2267 7.360 11.410 -2.417 0.00 0.00 SOLV ATOM 12794 H1 TIP3 2267 6.804 10.735 -2.762 0.00 0.00 SOLV ATOM 12795 H2 TIP3 2267 6.821 11.630 -1.611 0.00 0.00 SOLV ATOM 12796 OH2 TIP3 2268 11.224 16.049 -0.353 0.00 0.00 SOLV ATOM 12797 H1 TIP3 2268 11.828 15.371 -0.128 0.00 0.00 SOLV ATOM 12798 H2 TIP3 2268 11.669 16.786 0.050 0.00 0.00 SOLV ATOM 12799 OH2 TIP3 2269 2.387 -19.334 3.871 0.00 0.00 SOLV ATOM 12800 H1 TIP3 2269 1.673 -18.721 3.669 0.00 0.00 SOLV ATOM 12801 H2 TIP3 2269 3.146 -18.809 3.713 0.00 0.00 SOLV ATOM 12802 OH2 TIP3 2270 10.069 -9.814 -8.447 0.00 0.00 SOLV ATOM 12803 H1 TIP3 2270 10.804 -9.668 -7.811 0.00 0.00 SOLV ATOM 12804 H2 TIP3 2270 9.581 -8.983 -8.370 0.00 0.00 SOLV ATOM 12805 OH2 TIP3 2271 13.810 -10.455 -6.068 0.00 0.00 SOLV ATOM 12806 H1 TIP3 2271 13.086 -9.802 -5.936 0.00 0.00 SOLV ATOM 12807 H2 TIP3 2271 13.818 -10.606 -7.020 0.00 0.00 SOLV ATOM 12808 OH2 TIP3 2272 11.804 11.984 0.946 0.00 0.00 SOLV ATOM 12809 H1 TIP3 2272 11.088 12.433 1.438 0.00 0.00 SOLV ATOM 12810 H2 TIP3 2272 11.317 11.407 0.308 0.00 0.00 SOLV ATOM 12811 OH2 TIP3 2273 19.194 9.589 1.726 0.00 0.00 SOLV ATOM 12812 H1 TIP3 2273 19.677 10.178 1.114 0.00 0.00 SOLV ATOM 12813 H2 TIP3 2273 18.852 8.947 1.042 0.00 0.00 SOLV ATOM 12814 OH2 TIP3 2274 -3.307 -15.058 -45.250 0.00 0.00 SOLV ATOM 12815 H1 TIP3 2274 -2.664 -14.829 -44.505 0.00 0.00 SOLV ATOM 12816 H2 TIP3 2274 -4.039 -14.482 -45.055 0.00 0.00 SOLV ATOM 12817 OH2 TIP3 2275 6.237 -1.393 -53.061 0.00 0.00 SOLV ATOM 12818 H1 TIP3 2275 6.831 -2.132 -52.877 0.00 0.00 SOLV ATOM 12819 H2 TIP3 2275 6.126 -0.983 -52.222 0.00 0.00 SOLV ATOM 12820 OH2 TIP3 2276 7.079 -4.456 -41.718 0.00 0.00 SOLV ATOM 12821 H1 TIP3 2276 7.073 -3.939 -42.498 0.00 0.00 SOLV ATOM 12822 H2 TIP3 2276 6.124 -4.610 -41.605 0.00 0.00 SOLV ATOM 12823 OH2 TIP3 2277 18.004 -6.218 -45.530 0.00 0.00 SOLV ATOM 12824 H1 TIP3 2277 18.211 -5.392 -45.060 0.00 0.00 SOLV ATOM 12825 H2 TIP3 2277 18.447 -6.847 -44.874 0.00 0.00 SOLV ATOM 12826 OH2 TIP3 2278 23.532 20.200 -37.134 0.00 0.00 SOLV ATOM 12827 H1 TIP3 2278 24.307 19.887 -37.617 0.00 0.00 SOLV ATOM 12828 H2 TIP3 2278 23.949 20.930 -36.624 0.00 0.00 SOLV ATOM 12829 OH2 TIP3 2279 25.870 7.639 -32.069 0.00 0.00 SOLV ATOM 12830 H1 TIP3 2279 25.599 6.765 -32.188 0.00 0.00 SOLV ATOM 12831 H2 TIP3 2279 25.568 8.102 -32.889 0.00 0.00 SOLV ATOM 12832 OH2 TIP3 2280 21.131 -10.300 -30.842 0.00 0.00 SOLV ATOM 12833 H1 TIP3 2280 21.790 -11.019 -30.933 0.00 0.00 SOLV ATOM 12834 H2 TIP3 2280 20.569 -10.516 -31.551 0.00 0.00 SOLV ATOM 12835 OH2 TIP3 2281 8.349 -19.890 -3.894 0.00 0.00 SOLV ATOM 12836 H1 TIP3 2281 7.407 -20.124 -4.051 0.00 0.00 SOLV ATOM 12837 H2 TIP3 2281 8.764 -20.021 -4.735 0.00 0.00 SOLV ATOM 12838 OH2 TIP3 2282 21.435 10.217 15.335 0.00 0.00 SOLV ATOM 12839 H1 TIP3 2282 20.477 10.389 15.430 0.00 0.00 SOLV ATOM 12840 H2 TIP3 2282 21.434 9.317 15.744 0.00 0.00 SOLV ATOM 12841 OH2 TIP3 2283 10.542 -6.635 -45.274 0.00 0.00 SOLV ATOM 12842 H1 TIP3 2283 11.245 -6.228 -45.834 0.00 0.00 SOLV ATOM 12843 H2 TIP3 2283 10.697 -6.163 -44.390 0.00 0.00 SOLV ATOM 12844 OH2 TIP3 2284 9.770 -10.759 2.777 0.00 0.00 SOLV ATOM 12845 H1 TIP3 2284 10.207 -11.327 2.191 0.00 0.00 SOLV ATOM 12846 H2 TIP3 2284 9.704 -11.173 3.606 0.00 0.00 SOLV ATOM 12847 OH2 TIP3 2285 10.609 -14.146 -1.041 0.00 0.00 SOLV ATOM 12848 H1 TIP3 2285 11.173 -14.371 -1.849 0.00 0.00 SOLV ATOM 12849 H2 TIP3 2285 9.720 -14.217 -1.443 0.00 0.00 SOLV ATOM 12850 OH2 TIP3 2286 -22.049 -4.875 22.300 0.00 0.00 SOLV ATOM 12851 H1 TIP3 2286 -22.085 -5.663 21.758 0.00 0.00 SOLV ATOM 12852 H2 TIP3 2286 -22.783 -4.363 21.890 0.00 0.00 SOLV ATOM 12853 OH2 TIP3 2287 8.019 -2.874 -49.441 0.00 0.00 SOLV ATOM 12854 H1 TIP3 2287 8.475 -2.044 -49.678 0.00 0.00 SOLV ATOM 12855 H2 TIP3 2287 8.651 -3.420 -48.933 0.00 0.00 SOLV ATOM 12856 OH2 TIP3 2288 11.121 -5.786 -50.421 0.00 0.00 SOLV ATOM 12857 H1 TIP3 2288 11.053 -6.456 -49.664 0.00 0.00 SOLV ATOM 12858 H2 TIP3 2288 11.221 -4.926 -49.990 0.00 0.00 SOLV ATOM 12859 OH2 TIP3 2289 5.567 0.150 -48.057 0.00 0.00 SOLV ATOM 12860 H1 TIP3 2289 4.695 0.500 -47.782 0.00 0.00 SOLV ATOM 12861 H2 TIP3 2289 6.020 -0.213 -47.282 0.00 0.00 SOLV ATOM 12862 OH2 TIP3 2290 6.625 9.161 -51.246 0.00 0.00 SOLV ATOM 12863 H1 TIP3 2290 5.694 9.203 -51.017 0.00 0.00 SOLV ATOM 12864 H2 TIP3 2290 6.616 8.704 -52.093 0.00 0.00 SOLV ATOM 12865 OH2 TIP3 2291 13.277 -11.604 -19.055 0.00 0.00 SOLV ATOM 12866 H1 TIP3 2291 12.753 -11.336 -19.802 0.00 0.00 SOLV ATOM 12867 H2 TIP3 2291 13.022 -11.046 -18.275 0.00 0.00 SOLV ATOM 12868 OH2 TIP3 2292 -12.831 -15.019 -18.305 0.00 0.00 SOLV ATOM 12869 H1 TIP3 2292 -11.908 -15.274 -18.060 0.00 0.00 SOLV ATOM 12870 H2 TIP3 2292 -12.991 -15.674 -19.013 0.00 0.00 SOLV ATOM 12871 OH2 TIP3 2293 13.251 -9.057 -2.920 0.00 0.00 SOLV ATOM 12872 H1 TIP3 2293 13.254 -9.727 -2.194 0.00 0.00 SOLV ATOM 12873 H2 TIP3 2293 12.497 -9.285 -3.507 0.00 0.00 SOLV ATOM 12874 OH2 TIP3 2294 4.814 21.192 -15.520 0.00 0.00 SOLV ATOM 12875 H1 TIP3 2294 4.218 20.408 -15.311 0.00 0.00 SOLV ATOM 12876 H2 TIP3 2294 5.161 21.487 -14.670 0.00 0.00 SOLV ATOM 12877 OH2 TIP3 2295 10.459 -7.389 -2.531 0.00 0.00 SOLV ATOM 12878 H1 TIP3 2295 10.468 -8.307 -2.219 0.00 0.00 SOLV ATOM 12879 H2 TIP3 2295 10.997 -7.388 -3.320 0.00 0.00 SOLV ATOM 12880 OH2 TIP3 2296 13.734 -5.491 4.228 0.00 0.00 SOLV ATOM 12881 H1 TIP3 2296 12.801 -5.705 4.004 0.00 0.00 SOLV ATOM 12882 H2 TIP3 2296 13.677 -4.747 4.847 0.00 0.00 SOLV ATOM 12883 OH2 TIP3 2297 7.173 15.108 -50.597 0.00 0.00 SOLV ATOM 12884 H1 TIP3 2297 7.443 15.060 -51.458 0.00 0.00 SOLV ATOM 12885 H2 TIP3 2297 7.008 14.212 -50.445 0.00 0.00 SOLV ATOM 12886 OH2 TIP3 2298 20.620 22.732 -29.278 0.00 0.00 SOLV ATOM 12887 H1 TIP3 2298 20.632 23.336 -30.003 0.00 0.00 SOLV ATOM 12888 H2 TIP3 2298 21.064 21.913 -29.501 0.00 0.00 SOLV ATOM 12889 OH2 TIP3 2299 1.816 -0.558 -41.875 0.00 0.00 SOLV ATOM 12890 H1 TIP3 2299 1.063 0.004 -41.635 0.00 0.00 SOLV ATOM 12891 H2 TIP3 2299 1.334 -1.355 -42.060 0.00 0.00 SOLV ATOM 12892 OH2 TIP3 2300 5.980 -3.798 -47.425 0.00 0.00 SOLV ATOM 12893 H1 TIP3 2300 6.800 -3.696 -47.932 0.00 0.00 SOLV ATOM 12894 H2 TIP3 2300 5.564 -4.578 -47.955 0.00 0.00 SOLV ATOM 12895 OH2 TIP3 2301 3.490 1.315 -42.568 0.00 0.00 SOLV ATOM 12896 H1 TIP3 2301 2.925 0.528 -42.436 0.00 0.00 SOLV ATOM 12897 H2 TIP3 2301 3.384 1.588 -43.517 0.00 0.00 SOLV ATOM 12898 OH2 TIP3 2302 1.562 19.549 -18.403 0.00 0.00 SOLV ATOM 12899 H1 TIP3 2302 1.210 19.954 -19.257 0.00 0.00 SOLV ATOM 12900 H2 TIP3 2302 2.230 20.186 -18.157 0.00 0.00 SOLV ATOM 12901 OH2 TIP3 2303 24.319 -3.503 -19.526 0.00 0.00 SOLV ATOM 12902 H1 TIP3 2303 24.069 -4.333 -19.096 0.00 0.00 SOLV ATOM 12903 H2 TIP3 2303 24.543 -2.945 -18.731 0.00 0.00 SOLV ATOM 12904 OH2 TIP3 2304 16.763 12.614 -5.630 0.00 0.00 SOLV ATOM 12905 H1 TIP3 2304 16.313 13.304 -5.172 0.00 0.00 SOLV ATOM 12906 H2 TIP3 2304 16.029 11.965 -5.694 0.00 0.00 SOLV ATOM 12907 OH2 TIP3 2305 -0.291 -23.883 2.731 0.00 0.00 SOLV ATOM 12908 H1 TIP3 2305 0.178 -24.653 2.258 0.00 0.00 SOLV ATOM 12909 H2 TIP3 2305 0.359 -23.145 2.620 0.00 0.00 SOLV ATOM 12910 OH2 TIP3 2306 17.813 0.221 -0.280 0.00 0.00 SOLV ATOM 12911 H1 TIP3 2306 17.874 -0.655 -0.517 0.00 0.00 SOLV ATOM 12912 H2 TIP3 2306 18.151 0.642 -1.059 0.00 0.00 SOLV ATOM 12913 OH2 TIP3 2307 -1.276 -7.056 3.984 0.00 0.00 SOLV ATOM 12914 H1 TIP3 2307 -0.464 -6.811 4.380 0.00 0.00 SOLV ATOM 12915 H2 TIP3 2307 -1.925 -6.451 4.455 0.00 0.00 SOLV ATOM 12916 OH2 TIP3 2308 21.966 12.782 4.018 0.00 0.00 SOLV ATOM 12917 H1 TIP3 2308 22.594 12.877 4.781 0.00 0.00 SOLV ATOM 12918 H2 TIP3 2308 22.568 12.844 3.205 0.00 0.00 SOLV ATOM 12919 OH2 TIP3 2309 -8.964 8.292 -38.014 0.00 0.00 SOLV ATOM 12920 H1 TIP3 2309 -9.304 9.053 -38.484 0.00 0.00 SOLV ATOM 12921 H2 TIP3 2309 -8.007 8.613 -38.054 0.00 0.00 SOLV ATOM 12922 OH2 TIP3 2310 28.550 3.945 -30.918 0.00 0.00 SOLV ATOM 12923 H1 TIP3 2310 29.060 3.449 -30.185 0.00 0.00 SOLV ATOM 12924 H2 TIP3 2310 28.308 4.804 -30.463 0.00 0.00 SOLV ATOM 12925 OH2 TIP3 2311 14.805 3.026 -39.201 0.00 0.00 SOLV ATOM 12926 H1 TIP3 2311 15.525 2.439 -39.434 0.00 0.00 SOLV ATOM 12927 H2 TIP3 2311 14.538 2.768 -38.313 0.00 0.00 SOLV ATOM 12928 OH2 TIP3 2312 1.204 9.682 -39.672 0.00 0.00 SOLV ATOM 12929 H1 TIP3 2312 1.049 9.946 -38.733 0.00 0.00 SOLV ATOM 12930 H2 TIP3 2312 1.968 10.199 -39.927 0.00 0.00 SOLV ATOM 12931 OH2 TIP3 2313 15.995 22.168 -18.779 0.00 0.00 SOLV ATOM 12932 H1 TIP3 2313 15.874 21.198 -18.843 0.00 0.00 SOLV ATOM 12933 H2 TIP3 2313 16.887 22.258 -18.409 0.00 0.00 SOLV ATOM 12934 OH2 TIP3 2314 8.916 -11.825 -18.079 0.00 0.00 SOLV ATOM 12935 H1 TIP3 2314 9.829 -11.688 -18.336 0.00 0.00 SOLV ATOM 12936 H2 TIP3 2314 9.065 -12.008 -17.115 0.00 0.00 SOLV ATOM 12937 OH2 TIP3 2315 0.558 21.225 -14.464 0.00 0.00 SOLV ATOM 12938 H1 TIP3 2315 0.594 21.207 -13.482 0.00 0.00 SOLV ATOM 12939 H2 TIP3 2315 0.664 22.169 -14.620 0.00 0.00 SOLV ATOM 12940 OH2 TIP3 2316 -21.118 17.746 1.314 0.00 0.00 SOLV ATOM 12941 H1 TIP3 2316 -20.718 17.123 1.922 0.00 0.00 SOLV ATOM 12942 H2 TIP3 2316 -22.065 17.555 1.271 0.00 0.00 SOLV ATOM 12943 OH2 TIP3 2317 13.164 14.435 -53.008 0.00 0.00 SOLV ATOM 12944 H1 TIP3 2317 14.097 14.416 -53.445 0.00 0.00 SOLV ATOM 12945 H2 TIP3 2317 12.649 14.274 -53.741 0.00 0.00 SOLV ATOM 12946 OH2 TIP3 2318 -4.541 12.984 -40.185 0.00 0.00 SOLV ATOM 12947 H1 TIP3 2318 -4.357 13.325 -39.314 0.00 0.00 SOLV ATOM 12948 H2 TIP3 2318 -3.677 13.200 -40.677 0.00 0.00 SOLV ATOM 12949 OH2 TIP3 2319 13.170 13.351 -43.908 0.00 0.00 SOLV ATOM 12950 H1 TIP3 2319 14.038 13.034 -43.440 0.00 0.00 SOLV ATOM 12951 H2 TIP3 2319 12.623 12.570 -43.988 0.00 0.00 SOLV ATOM 12952 OH2 TIP3 2320 10.452 -11.848 -35.810 0.00 0.00 SOLV ATOM 12953 H1 TIP3 2320 9.859 -11.220 -36.238 0.00 0.00 SOLV ATOM 12954 H2 TIP3 2320 10.012 -12.720 -35.871 0.00 0.00 SOLV ATOM 12955 OH2 TIP3 2321 23.304 -5.194 -47.220 0.00 0.00 SOLV ATOM 12956 H1 TIP3 2321 24.146 -4.904 -47.034 0.00 0.00 SOLV ATOM 12957 H2 TIP3 2321 22.846 -5.253 -46.371 0.00 0.00 SOLV ATOM 12958 OH2 TIP3 2322 1.808 -10.876 -23.186 0.00 0.00 SOLV ATOM 12959 H1 TIP3 2322 2.674 -11.227 -23.360 0.00 0.00 SOLV ATOM 12960 H2 TIP3 2322 2.015 -10.184 -22.572 0.00 0.00 SOLV ATOM 12961 OH2 TIP3 2323 14.046 2.104 6.799 0.00 0.00 SOLV ATOM 12962 H1 TIP3 2323 13.480 2.894 6.534 0.00 0.00 SOLV ATOM 12963 H2 TIP3 2323 14.859 2.505 7.053 0.00 0.00 SOLV ATOM 12964 OH2 TIP3 2324 13.621 8.886 -48.587 0.00 0.00 SOLV ATOM 12965 H1 TIP3 2324 14.228 9.335 -47.963 0.00 0.00 SOLV ATOM 12966 H2 TIP3 2324 13.760 9.257 -49.504 0.00 0.00 SOLV ATOM 12967 OH2 TIP3 2325 9.738 5.905 -50.243 0.00 0.00 SOLV ATOM 12968 H1 TIP3 2325 9.883 6.359 -49.354 0.00 0.00 SOLV ATOM 12969 H2 TIP3 2325 10.524 5.322 -50.266 0.00 0.00 SOLV ATOM 12970 OH2 TIP3 2326 -13.772 3.188 35.775 0.00 0.00 SOLV ATOM 12971 H1 TIP3 2326 -13.864 2.346 35.322 0.00 0.00 SOLV ATOM 12972 H2 TIP3 2326 -13.772 3.004 36.682 0.00 0.00 SOLV ATOM 12973 OH2 TIP3 2327 22.314 2.724 -40.762 0.00 0.00 SOLV ATOM 12974 H1 TIP3 2327 22.006 2.166 -39.963 0.00 0.00 SOLV ATOM 12975 H2 TIP3 2327 22.387 1.981 -41.415 0.00 0.00 SOLV ATOM 12976 OH2 TIP3 2328 20.456 0.585 -5.961 0.00 0.00 SOLV ATOM 12977 H1 TIP3 2328 20.874 -0.210 -5.596 0.00 0.00 SOLV ATOM 12978 H2 TIP3 2328 21.105 1.001 -6.497 0.00 0.00 SOLV ATOM 12979 OH2 TIP3 2329 18.462 8.093 -53.080 0.00 0.00 SOLV ATOM 12980 H1 TIP3 2329 18.387 7.331 -53.696 0.00 0.00 SOLV ATOM 12981 H2 TIP3 2329 18.478 8.886 -53.679 0.00 0.00 SOLV ATOM 12982 OH2 TIP3 2330 21.511 6.895 3.293 0.00 0.00 SOLV ATOM 12983 H1 TIP3 2330 21.139 7.540 2.711 0.00 0.00 SOLV ATOM 12984 H2 TIP3 2330 20.887 6.087 3.230 0.00 0.00 SOLV ATOM 12985 OH2 TIP3 2331 3.279 22.059 -18.117 0.00 0.00 SOLV ATOM 12986 H1 TIP3 2331 3.759 22.624 -18.803 0.00 0.00 SOLV ATOM 12987 H2 TIP3 2331 3.714 22.272 -17.290 0.00 0.00 SOLV ATOM 12988 OH2 TIP3 2332 0.484 9.828 -33.098 0.00 0.00 SOLV ATOM 12989 H1 TIP3 2332 1.108 10.494 -33.404 0.00 0.00 SOLV ATOM 12990 H2 TIP3 2332 0.949 9.030 -33.272 0.00 0.00 SOLV ATOM 12991 OH2 TIP3 2333 15.799 15.502 -34.414 0.00 0.00 SOLV ATOM 12992 H1 TIP3 2333 14.971 15.668 -33.946 0.00 0.00 SOLV ATOM 12993 H2 TIP3 2333 15.631 14.657 -34.746 0.00 0.00 SOLV ATOM 12994 OH2 TIP3 2334 -17.325 21.984 -1.871 0.00 0.00 SOLV ATOM 12995 H1 TIP3 2334 -18.244 22.012 -2.255 0.00 0.00 SOLV ATOM 12996 H2 TIP3 2334 -17.455 21.499 -1.049 0.00 0.00 SOLV ATOM 12997 OH2 TIP3 2335 7.165 14.318 -46.614 0.00 0.00 SOLV ATOM 12998 H1 TIP3 2335 6.836 13.768 -47.336 0.00 0.00 SOLV ATOM 12999 H2 TIP3 2335 6.698 13.973 -45.881 0.00 0.00 SOLV ATOM 13000 OH2 TIP3 2336 14.000 11.047 -54.125 0.00 0.00 SOLV ATOM 13001 H1 TIP3 2336 14.433 11.636 -53.457 0.00 0.00 SOLV ATOM 13002 H2 TIP3 2336 14.442 11.321 -54.906 0.00 0.00 SOLV ATOM 13003 OH2 TIP3 2337 12.385 15.076 -45.975 0.00 0.00 SOLV ATOM 13004 H1 TIP3 2337 12.592 14.684 -45.096 0.00 0.00 SOLV ATOM 13005 H2 TIP3 2337 11.634 14.616 -46.325 0.00 0.00 SOLV ATOM 13006 OH2 TIP3 2338 23.593 -0.447 -49.625 0.00 0.00 SOLV ATOM 13007 H1 TIP3 2338 23.739 -1.173 -48.990 0.00 0.00 SOLV ATOM 13008 H2 TIP3 2338 23.894 -0.734 -50.461 0.00 0.00 SOLV ATOM 13009 OH2 TIP3 2339 24.475 15.066 -16.437 0.00 0.00 SOLV ATOM 13010 H1 TIP3 2339 25.364 15.322 -16.708 0.00 0.00 SOLV ATOM 13011 H2 TIP3 2339 24.550 14.102 -16.331 0.00 0.00 SOLV ATOM 13012 OH2 TIP3 2340 15.305 14.356 -54.855 0.00 0.00 SOLV ATOM 13013 H1 TIP3 2340 15.819 13.761 -55.456 0.00 0.00 SOLV ATOM 13014 H2 TIP3 2340 16.030 14.951 -54.531 0.00 0.00 SOLV ATOM 13015 OH2 TIP3 2341 7.055 10.391 -42.460 0.00 0.00 SOLV ATOM 13016 H1 TIP3 2341 6.590 10.514 -41.640 0.00 0.00 SOLV ATOM 13017 H2 TIP3 2341 6.374 10.616 -43.109 0.00 0.00 SOLV ATOM 13018 OH2 TIP3 2342 16.174 10.745 10.999 0.00 0.00 SOLV ATOM 13019 H1 TIP3 2342 16.673 11.458 10.606 0.00 0.00 SOLV ATOM 13020 H2 TIP3 2342 16.604 10.596 11.861 0.00 0.00 SOLV ATOM 13021 OH2 TIP3 2343 14.127 14.399 -7.160 0.00 0.00 SOLV ATOM 13022 H1 TIP3 2343 14.783 14.604 -6.520 0.00 0.00 SOLV ATOM 13023 H2 TIP3 2343 13.824 13.507 -6.887 0.00 0.00 SOLV ATOM 13024 OH2 TIP3 2344 12.550 9.935 -2.821 0.00 0.00 SOLV ATOM 13025 H1 TIP3 2344 12.436 10.443 -3.694 0.00 0.00 SOLV ATOM 13026 H2 TIP3 2344 11.679 9.499 -2.717 0.00 0.00 SOLV ATOM 13027 OH2 TIP3 2345 -2.129 7.700 -44.624 0.00 0.00 SOLV ATOM 13028 H1 TIP3 2345 -1.274 7.163 -44.380 0.00 0.00 SOLV ATOM 13029 H2 TIP3 2345 -2.758 7.295 -44.123 0.00 0.00 SOLV ATOM 13030 OH2 TIP3 2346 12.724 9.190 -45.546 0.00 0.00 SOLV ATOM 13031 H1 TIP3 2346 13.445 9.649 -46.072 0.00 0.00 SOLV ATOM 13032 H2 TIP3 2346 13.257 8.533 -45.054 0.00 0.00 SOLV ATOM 13033 OH2 TIP3 2347 20.727 12.590 -49.952 0.00 0.00 SOLV ATOM 13034 H1 TIP3 2347 20.502 11.679 -49.898 0.00 0.00 SOLV ATOM 13035 H2 TIP3 2347 20.253 12.953 -49.081 0.00 0.00 SOLV ATOM 13036 OH2 TIP3 2348 12.296 8.325 -54.192 0.00 0.00 SOLV ATOM 13037 H1 TIP3 2348 11.618 8.889 -54.522 0.00 0.00 SOLV ATOM 13038 H2 TIP3 2348 13.008 8.481 -54.790 0.00 0.00 SOLV ATOM 13039 OH2 TIP3 2349 16.249 -20.707 -32.869 0.00 0.00 SOLV ATOM 13040 H1 TIP3 2349 17.012 -20.983 -33.382 0.00 0.00 SOLV ATOM 13041 H2 TIP3 2349 15.974 -19.849 -33.217 0.00 0.00 SOLV ATOM 13042 OH2 TIP3 2350 9.365 20.874 4.914 0.00 0.00 SOLV ATOM 13043 H1 TIP3 2350 9.650 20.949 5.883 0.00 0.00 SOLV ATOM 13044 H2 TIP3 2350 8.702 21.598 4.813 0.00 0.00 SOLV ATOM 13045 OH2 TIP3 2351 6.874 -18.260 -10.906 0.00 0.00 SOLV ATOM 13046 H1 TIP3 2351 7.662 -18.175 -11.447 0.00 0.00 SOLV ATOM 13047 H2 TIP3 2351 7.121 -18.592 -10.023 0.00 0.00 SOLV ATOM 13048 OH2 TIP3 2352 5.178 -33.788 6.992 0.00 0.00 SOLV ATOM 13049 H1 TIP3 2352 5.705 -34.484 6.629 0.00 0.00 SOLV ATOM 13050 H2 TIP3 2352 4.278 -33.935 6.565 0.00 0.00 SOLV ATOM 13051 OH2 TIP3 2353 3.384 -15.942 -5.808 0.00 0.00 SOLV ATOM 13052 H1 TIP3 2353 2.637 -15.483 -6.238 0.00 0.00 SOLV ATOM 13053 H2 TIP3 2353 3.025 -16.432 -5.049 0.00 0.00 SOLV ATOM 13054 OH2 TIP3 2354 10.758 -20.497 5.836 0.00 0.00 SOLV ATOM 13055 H1 TIP3 2354 10.230 -21.239 6.245 0.00 0.00 SOLV ATOM 13056 H2 TIP3 2354 11.241 -20.186 6.632 0.00 0.00 SOLV ATOM 13057 OH2 TIP3 2355 15.993 -22.309 -27.052 0.00 0.00 SOLV ATOM 13058 H1 TIP3 2355 15.258 -22.937 -27.250 0.00 0.00 SOLV ATOM 13059 H2 TIP3 2355 15.884 -21.675 -27.766 0.00 0.00 SOLV ATOM 13060 OH2 TIP3 2356 20.711 -22.781 -20.157 0.00 0.00 SOLV ATOM 13061 H1 TIP3 2356 20.451 -23.399 -19.457 0.00 0.00 SOLV ATOM 13062 H2 TIP3 2356 21.289 -22.120 -19.700 0.00 0.00 SOLV ATOM 13063 OH2 TIP3 2357 5.546 -20.802 -5.961 0.00 0.00 SOLV ATOM 13064 H1 TIP3 2357 4.635 -21.084 -6.242 0.00 0.00 SOLV ATOM 13065 H2 TIP3 2357 5.434 -20.330 -5.138 0.00 0.00 SOLV ATOM 13066 OH2 TIP3 2358 15.152 -16.196 3.426 0.00 0.00 SOLV ATOM 13067 H1 TIP3 2358 15.131 -15.581 4.211 0.00 0.00 SOLV ATOM 13068 H2 TIP3 2358 14.177 -16.374 3.376 0.00 0.00 SOLV ATOM 13069 OH2 TIP3 2359 4.145 -21.010 -25.060 0.00 0.00 SOLV ATOM 13070 H1 TIP3 2359 3.683 -20.410 -25.695 0.00 0.00 SOLV ATOM 13071 H2 TIP3 2359 4.885 -21.251 -25.555 0.00 0.00 SOLV ATOM 13072 OH2 TIP3 2360 18.931 -20.979 -37.917 0.00 0.00 SOLV ATOM 13073 H1 TIP3 2360 19.337 -20.210 -38.423 0.00 0.00 SOLV ATOM 13074 H2 TIP3 2360 18.442 -20.585 -37.196 0.00 0.00 SOLV ATOM 13075 OH2 TIP3 2361 9.234 -18.540 -12.242 0.00 0.00 SOLV ATOM 13076 H1 TIP3 2361 9.385 -18.267 -13.116 0.00 0.00 SOLV ATOM 13077 H2 TIP3 2361 9.593 -19.465 -12.204 0.00 0.00 SOLV ATOM 13078 OH2 TIP3 2362 19.945 -17.502 -19.608 0.00 0.00 SOLV ATOM 13079 H1 TIP3 2362 19.513 -16.658 -19.375 0.00 0.00 SOLV ATOM 13080 H2 TIP3 2362 20.859 -17.248 -19.771 0.00 0.00 SOLV ATOM 13081 OH2 TIP3 2363 17.365 -18.040 -8.885 0.00 0.00 SOLV ATOM 13082 H1 TIP3 2363 17.574 -17.521 -8.036 0.00 0.00 SOLV ATOM 13083 H2 TIP3 2363 17.583 -17.409 -9.572 0.00 0.00 SOLV ATOM 13084 OH2 TIP3 2364 15.973 -16.966 -15.951 0.00 0.00 SOLV ATOM 13085 H1 TIP3 2364 15.173 -17.466 -16.179 0.00 0.00 SOLV ATOM 13086 H2 TIP3 2364 16.642 -17.314 -16.615 0.00 0.00 SOLV ATOM 13087 OH2 TIP3 2365 -2.730 -26.989 -6.986 0.00 0.00 SOLV ATOM 13088 H1 TIP3 2365 -2.008 -27.313 -6.464 0.00 0.00 SOLV ATOM 13089 H2 TIP3 2365 -3.537 -27.133 -6.443 0.00 0.00 SOLV ATOM 13090 OH2 TIP3 2366 10.982 -24.669 0.521 0.00 0.00 SOLV ATOM 13091 H1 TIP3 2366 10.207 -24.602 -0.042 0.00 0.00 SOLV ATOM 13092 H2 TIP3 2366 11.733 -24.548 -0.061 0.00 0.00 SOLV ATOM 13093 OH2 TIP3 2367 2.915 -25.650 13.918 0.00 0.00 SOLV ATOM 13094 H1 TIP3 2367 3.701 -25.446 13.336 0.00 0.00 SOLV ATOM 13095 H2 TIP3 2367 3.365 -25.865 14.688 0.00 0.00 SOLV ATOM 13096 OH2 TIP3 2368 1.842 -8.608 -25.547 0.00 0.00 SOLV ATOM 13097 H1 TIP3 2368 1.871 -8.548 -24.585 0.00 0.00 SOLV ATOM 13098 H2 TIP3 2368 1.119 -9.297 -25.686 0.00 0.00 SOLV ATOM 13099 OH2 TIP3 2369 17.220 -12.324 -46.245 0.00 0.00 SOLV ATOM 13100 H1 TIP3 2369 17.264 -11.913 -45.392 0.00 0.00 SOLV ATOM 13101 H2 TIP3 2369 16.649 -13.063 -46.089 0.00 0.00 SOLV ATOM 13102 OH2 TIP3 2370 18.643 -23.259 -28.602 0.00 0.00 SOLV ATOM 13103 H1 TIP3 2370 18.778 -22.613 -29.418 0.00 0.00 SOLV ATOM 13104 H2 TIP3 2370 17.727 -23.563 -28.664 0.00 0.00 SOLV ATOM 13105 OH2 TIP3 2371 1.802 -18.113 -33.455 0.00 0.00 SOLV ATOM 13106 H1 TIP3 2371 1.315 -17.887 -34.290 0.00 0.00 SOLV ATOM 13107 H2 TIP3 2371 2.765 -18.009 -33.736 0.00 0.00 SOLV ATOM 13108 OH2 TIP3 2372 14.316 -18.661 -23.473 0.00 0.00 SOLV ATOM 13109 H1 TIP3 2372 14.670 -18.751 -24.394 0.00 0.00 SOLV ATOM 13110 H2 TIP3 2372 13.951 -17.801 -23.417 0.00 0.00 SOLV ATOM 13111 OH2 TIP3 2373 6.836 -24.773 -20.102 0.00 0.00 SOLV ATOM 13112 H1 TIP3 2373 6.241 -25.377 -19.563 0.00 0.00 SOLV ATOM 13113 H2 TIP3 2373 6.264 -24.502 -20.842 0.00 0.00 SOLV ATOM 13114 OH2 TIP3 2374 6.665 -23.135 -24.441 0.00 0.00 SOLV ATOM 13115 H1 TIP3 2374 6.218 -23.938 -24.660 0.00 0.00 SOLV ATOM 13116 H2 TIP3 2374 6.655 -22.587 -25.263 0.00 0.00 SOLV ATOM 13117 OH2 TIP3 2375 15.815 -21.060 6.513 0.00 0.00 SOLV ATOM 13118 H1 TIP3 2375 15.155 -21.679 6.076 0.00 0.00 SOLV ATOM 13119 H2 TIP3 2375 16.454 -21.705 6.714 0.00 0.00 SOLV ATOM 13120 OH2 TIP3 2376 16.023 -20.109 3.333 0.00 0.00 SOLV ATOM 13121 H1 TIP3 2376 15.125 -19.966 3.604 0.00 0.00 SOLV ATOM 13122 H2 TIP3 2376 16.454 -19.286 3.577 0.00 0.00 SOLV ATOM 13123 OH2 TIP3 2377 19.893 -8.537 6.799 0.00 0.00 SOLV ATOM 13124 H1 TIP3 2377 19.084 -7.997 6.764 0.00 0.00 SOLV ATOM 13125 H2 TIP3 2377 20.267 -8.170 7.562 0.00 0.00 SOLV ATOM 13126 OH2 TIP3 2378 0.869 -3.060 -42.686 0.00 0.00 SOLV ATOM 13127 H1 TIP3 2378 1.141 -2.710 -43.546 0.00 0.00 SOLV ATOM 13128 H2 TIP3 2378 -0.138 -3.072 -42.693 0.00 0.00 SOLV ATOM 13129 OH2 TIP3 2379 6.136 -14.153 -23.699 0.00 0.00 SOLV ATOM 13130 H1 TIP3 2379 6.645 -14.119 -22.853 0.00 0.00 SOLV ATOM 13131 H2 TIP3 2379 6.379 -15.002 -24.086 0.00 0.00 SOLV ATOM 13132 OH2 TIP3 2380 6.685 -19.406 -19.610 0.00 0.00 SOLV ATOM 13133 H1 TIP3 2380 7.567 -19.699 -19.913 0.00 0.00 SOLV ATOM 13134 H2 TIP3 2380 6.054 -20.030 -20.024 0.00 0.00 SOLV ATOM 13135 OH2 TIP3 2381 15.506 -17.241 -28.930 0.00 0.00 SOLV ATOM 13136 H1 TIP3 2381 15.107 -17.274 -28.061 0.00 0.00 SOLV ATOM 13137 H2 TIP3 2381 15.320 -16.365 -29.285 0.00 0.00 SOLV ATOM 13138 OH2 TIP3 2382 3.257 -19.405 -22.410 0.00 0.00 SOLV ATOM 13139 H1 TIP3 2382 2.925 -18.811 -21.690 0.00 0.00 SOLV ATOM 13140 H2 TIP3 2382 2.902 -19.011 -23.252 0.00 0.00 SOLV ATOM 13141 OH2 TIP3 2383 -7.166 -25.728 -14.858 0.00 0.00 SOLV ATOM 13142 H1 TIP3 2383 -7.161 -26.658 -15.196 0.00 0.00 SOLV ATOM 13143 H2 TIP3 2383 -8.053 -25.365 -14.915 0.00 0.00 SOLV ATOM 13144 OH2 TIP3 2384 4.256 -11.586 -9.068 0.00 0.00 SOLV ATOM 13145 H1 TIP3 2384 4.773 -11.057 -8.459 0.00 0.00 SOLV ATOM 13146 H2 TIP3 2384 4.846 -11.777 -9.755 0.00 0.00 SOLV ATOM 13147 OH2 TIP3 2385 19.448 -19.329 -11.142 0.00 0.00 SOLV ATOM 13148 H1 TIP3 2385 20.299 -19.072 -10.735 0.00 0.00 SOLV ATOM 13149 H2 TIP3 2385 18.896 -19.408 -10.405 0.00 0.00 SOLV ATOM 13150 OH2 TIP3 2386 7.315 -19.795 -39.048 0.00 0.00 SOLV ATOM 13151 H1 TIP3 2386 7.174 -20.341 -39.813 0.00 0.00 SOLV ATOM 13152 H2 TIP3 2386 6.666 -20.070 -38.393 0.00 0.00 SOLV ATOM 13153 OH2 TIP3 2387 16.408 -20.965 -29.780 0.00 0.00 SOLV ATOM 13154 H1 TIP3 2387 16.966 -20.332 -29.287 0.00 0.00 SOLV ATOM 13155 H2 TIP3 2387 16.339 -20.579 -30.700 0.00 0.00 SOLV ATOM 13156 OH2 TIP3 2388 21.151 -7.474 -47.628 0.00 0.00 SOLV ATOM 13157 H1 TIP3 2388 21.973 -8.036 -47.595 0.00 0.00 SOLV ATOM 13158 H2 TIP3 2388 21.214 -6.979 -46.755 0.00 0.00 SOLV ATOM 13159 OH2 TIP3 2389 4.783 -22.917 -12.545 0.00 0.00 SOLV ATOM 13160 H1 TIP3 2389 5.571 -22.963 -13.035 0.00 0.00 SOLV ATOM 13161 H2 TIP3 2389 4.875 -23.532 -11.792 0.00 0.00 SOLV ATOM 13162 OH2 TIP3 2390 3.352 -19.134 -8.324 0.00 0.00 SOLV ATOM 13163 H1 TIP3 2390 2.901 -18.940 -7.496 0.00 0.00 SOLV ATOM 13164 H2 TIP3 2390 3.005 -18.484 -9.000 0.00 0.00 SOLV ATOM 13165 OH2 TIP3 2391 2.229 -17.431 -3.778 0.00 0.00 SOLV ATOM 13166 H1 TIP3 2391 1.786 -16.554 -3.489 0.00 0.00 SOLV ATOM 13167 H2 TIP3 2391 2.746 -17.612 -3.009 0.00 0.00 SOLV ATOM 13168 OH2 TIP3 2392 23.306 -13.399 -7.031 0.00 0.00 SOLV ATOM 13169 H1 TIP3 2392 23.562 -12.823 -6.363 0.00 0.00 SOLV ATOM 13170 H2 TIP3 2392 22.388 -13.154 -7.232 0.00 0.00 SOLV ATOM 13171 OH2 TIP3 2393 5.003 -1.094 -0.723 0.00 0.00 SOLV ATOM 13172 H1 TIP3 2393 5.271 -0.367 -0.098 0.00 0.00 SOLV ATOM 13173 H2 TIP3 2393 4.237 -1.496 -0.202 0.00 0.00 SOLV ATOM 13174 OH2 TIP3 2394 -27.539 7.820 17.230 0.00 0.00 SOLV ATOM 13175 H1 TIP3 2394 -27.194 7.017 17.567 0.00 0.00 SOLV ATOM 13176 H2 TIP3 2394 -26.800 8.236 16.819 0.00 0.00 SOLV ATOM 13177 OH2 TIP3 2395 8.609 -17.580 3.031 0.00 0.00 SOLV ATOM 13178 H1 TIP3 2395 7.870 -16.956 3.282 0.00 0.00 SOLV ATOM 13179 H2 TIP3 2395 9.204 -17.616 3.759 0.00 0.00 SOLV ATOM 13180 OH2 TIP3 2396 12.399 -13.320 -40.979 0.00 0.00 SOLV ATOM 13181 H1 TIP3 2396 12.059 -12.809 -40.164 0.00 0.00 SOLV ATOM 13182 H2 TIP3 2396 11.890 -14.145 -40.957 0.00 0.00 SOLV ATOM 13183 OH2 TIP3 2397 7.584 -4.079 -51.911 0.00 0.00 SOLV ATOM 13184 H1 TIP3 2397 8.410 -3.702 -52.288 0.00 0.00 SOLV ATOM 13185 H2 TIP3 2397 7.618 -3.866 -50.985 0.00 0.00 SOLV ATOM 13186 OH2 TIP3 2398 8.130 -19.301 -31.790 0.00 0.00 SOLV ATOM 13187 H1 TIP3 2398 8.679 -19.328 -31.019 0.00 0.00 SOLV ATOM 13188 H2 TIP3 2398 7.524 -18.589 -31.570 0.00 0.00 SOLV ATOM 13189 OH2 TIP3 2399 1.338 -7.275 -37.749 0.00 0.00 SOLV ATOM 13190 H1 TIP3 2399 1.253 -8.101 -37.319 0.00 0.00 SOLV ATOM 13191 H2 TIP3 2399 1.013 -7.390 -38.635 0.00 0.00 SOLV ATOM 13192 OH2 TIP3 2400 7.153 -13.101 -41.488 0.00 0.00 SOLV ATOM 13193 H1 TIP3 2400 6.316 -13.002 -41.073 0.00 0.00 SOLV ATOM 13194 H2 TIP3 2400 7.704 -12.973 -40.710 0.00 0.00 SOLV ATOM 13195 OH2 TIP3 2401 14.249 -10.198 2.547 0.00 0.00 SOLV ATOM 13196 H1 TIP3 2401 14.710 -9.512 2.079 0.00 0.00 SOLV ATOM 13197 H2 TIP3 2401 13.391 -9.785 2.789 0.00 0.00 SOLV ATOM 13198 OH2 TIP3 2402 27.899 -5.145 -26.429 0.00 0.00 SOLV ATOM 13199 H1 TIP3 2402 28.719 -5.662 -26.544 0.00 0.00 SOLV ATOM 13200 H2 TIP3 2402 28.069 -4.302 -26.929 0.00 0.00 SOLV ATOM 13201 OH2 TIP3 2403 -2.089 27.846 -17.174 0.00 0.00 SOLV ATOM 13202 H1 TIP3 2403 -1.811 28.119 -18.056 0.00 0.00 SOLV ATOM 13203 H2 TIP3 2403 -2.592 28.630 -16.921 0.00 0.00 SOLV ATOM 13204 OH2 TIP3 2404 16.096 -14.132 -15.870 0.00 0.00 SOLV ATOM 13205 H1 TIP3 2404 15.272 -14.039 -16.303 0.00 0.00 SOLV ATOM 13206 H2 TIP3 2404 16.300 -15.131 -15.890 0.00 0.00 SOLV ATOM 13207 OH2 TIP3 2405 12.440 -20.332 -10.106 0.00 0.00 SOLV ATOM 13208 H1 TIP3 2405 11.713 -20.227 -10.749 0.00 0.00 SOLV ATOM 13209 H2 TIP3 2405 13.014 -21.016 -10.506 0.00 0.00 SOLV ATOM 13210 OH2 TIP3 2406 23.633 -3.634 6.571 0.00 0.00 SOLV ATOM 13211 H1 TIP3 2406 24.525 -3.716 6.960 0.00 0.00 SOLV ATOM 13212 H2 TIP3 2406 23.835 -3.274 5.725 0.00 0.00 SOLV ATOM 13213 OH2 TIP3 2407 19.570 -12.234 -13.788 0.00 0.00 SOLV ATOM 13214 H1 TIP3 2407 19.892 -12.394 -12.897 0.00 0.00 SOLV ATOM 13215 H2 TIP3 2407 18.593 -12.107 -13.607 0.00 0.00 SOLV ATOM 13216 OH2 TIP3 2408 14.648 -7.524 6.265 0.00 0.00 SOLV ATOM 13217 H1 TIP3 2408 14.684 -8.482 6.008 0.00 0.00 SOLV ATOM 13218 H2 TIP3 2408 14.384 -6.963 5.507 0.00 0.00 SOLV ATOM 13219 OH2 TIP3 2409 -6.821 19.432 7.746 0.00 0.00 SOLV ATOM 13220 H1 TIP3 2409 -6.385 18.951 8.418 0.00 0.00 SOLV ATOM 13221 H2 TIP3 2409 -6.116 19.992 7.335 0.00 0.00 SOLV ATOM 13222 OH2 TIP3 2410 4.279 -6.039 -51.025 0.00 0.00 SOLV ATOM 13223 H1 TIP3 2410 3.941 -6.559 -50.254 0.00 0.00 SOLV ATOM 13224 H2 TIP3 2410 4.115 -5.088 -50.652 0.00 0.00 SOLV ATOM 13225 OH2 TIP3 2411 2.833 -11.883 -46.356 0.00 0.00 SOLV ATOM 13226 H1 TIP3 2411 2.528 -11.092 -46.801 0.00 0.00 SOLV ATOM 13227 H2 TIP3 2411 2.049 -12.412 -46.399 0.00 0.00 SOLV ATOM 13228 OH2 TIP3 2412 -16.186 -12.646 5.412 0.00 0.00 SOLV ATOM 13229 H1 TIP3 2412 -17.138 -12.633 5.629 0.00 0.00 SOLV ATOM 13230 H2 TIP3 2412 -15.750 -12.122 6.113 0.00 0.00 SOLV ATOM 13231 OH2 TIP3 2413 21.637 -20.882 -36.600 0.00 0.00 SOLV ATOM 13232 H1 TIP3 2413 21.368 -21.763 -36.225 0.00 0.00 SOLV ATOM 13233 H2 TIP3 2413 20.843 -20.520 -36.928 0.00 0.00 SOLV ATOM 13234 OH2 TIP3 2414 14.400 14.393 -40.637 0.00 0.00 SOLV ATOM 13235 H1 TIP3 2414 13.498 14.307 -40.354 0.00 0.00 SOLV ATOM 13236 H2 TIP3 2414 14.534 13.495 -40.930 0.00 0.00 SOLV ATOM 13237 OH2 TIP3 2415 15.071 -13.157 -13.660 0.00 0.00 SOLV ATOM 13238 H1 TIP3 2415 15.648 -13.666 -14.268 0.00 0.00 SOLV ATOM 13239 H2 TIP3 2415 15.374 -13.409 -12.809 0.00 0.00 SOLV ATOM 13240 OH2 TIP3 2416 19.973 -14.660 -15.546 0.00 0.00 SOLV ATOM 13241 H1 TIP3 2416 19.410 -13.957 -15.245 0.00 0.00 SOLV ATOM 13242 H2 TIP3 2416 20.403 -14.891 -14.683 0.00 0.00 SOLV ATOM 13243 OH2 TIP3 2417 16.182 -5.855 -3.773 0.00 0.00 SOLV ATOM 13244 H1 TIP3 2417 16.096 -6.546 -4.422 0.00 0.00 SOLV ATOM 13245 H2 TIP3 2417 15.573 -6.070 -3.093 0.00 0.00 SOLV ATOM 13246 OH2 TIP3 2418 8.839 -14.809 -9.060 0.00 0.00 SOLV ATOM 13247 H1 TIP3 2418 9.305 -15.577 -9.399 0.00 0.00 SOLV ATOM 13248 H2 TIP3 2418 9.166 -14.006 -9.675 0.00 0.00 SOLV ATOM 13249 OH2 TIP3 2419 5.199 -9.922 4.314 0.00 0.00 SOLV ATOM 13250 H1 TIP3 2419 4.697 -10.438 5.032 0.00 0.00 SOLV ATOM 13251 H2 TIP3 2419 5.873 -9.464 4.930 0.00 0.00 SOLV ATOM 13252 OH2 TIP3 2420 6.461 -12.673 -1.643 0.00 0.00 SOLV ATOM 13253 H1 TIP3 2420 5.617 -12.200 -1.510 0.00 0.00 SOLV ATOM 13254 H2 TIP3 2420 6.827 -12.287 -2.454 0.00 0.00 SOLV ATOM 13255 OH2 TIP3 2421 11.020 -6.496 4.321 0.00 0.00 SOLV ATOM 13256 H1 TIP3 2421 11.276 -7.157 4.933 0.00 0.00 SOLV ATOM 13257 H2 TIP3 2421 10.638 -6.965 3.527 0.00 0.00 SOLV ATOM 13258 OH2 TIP3 2422 13.749 -11.817 -47.138 0.00 0.00 SOLV ATOM 13259 H1 TIP3 2422 12.956 -12.270 -46.768 0.00 0.00 SOLV ATOM 13260 H2 TIP3 2422 14.421 -12.460 -46.827 0.00 0.00 SOLV ATOM 13261 OH2 TIP3 2423 21.722 -17.480 -29.411 0.00 0.00 SOLV ATOM 13262 H1 TIP3 2423 21.871 -17.783 -28.512 0.00 0.00 SOLV ATOM 13263 H2 TIP3 2423 22.449 -16.854 -29.565 0.00 0.00 SOLV ATOM 13264 OH2 TIP3 2424 13.990 -16.311 -46.669 0.00 0.00 SOLV ATOM 13265 H1 TIP3 2424 14.272 -16.133 -47.597 0.00 0.00 SOLV ATOM 13266 H2 TIP3 2424 14.556 -17.005 -46.400 0.00 0.00 SOLV ATOM 13267 OH2 TIP3 2425 23.779 -12.707 -27.773 0.00 0.00 SOLV ATOM 13268 H1 TIP3 2425 24.629 -13.135 -27.796 0.00 0.00 SOLV ATOM 13269 H2 TIP3 2425 23.259 -13.318 -27.194 0.00 0.00 SOLV ATOM 13270 OH2 TIP3 2426 7.296 19.926 -1.359 0.00 0.00 SOLV ATOM 13271 H1 TIP3 2426 8.110 20.259 -1.779 0.00 0.00 SOLV ATOM 13272 H2 TIP3 2426 6.555 20.251 -1.890 0.00 0.00 SOLV ATOM 13273 OH2 TIP3 2427 -19.055 20.191 -17.289 0.00 0.00 SOLV ATOM 13274 H1 TIP3 2427 -19.060 19.209 -17.056 0.00 0.00 SOLV ATOM 13275 H2 TIP3 2427 -18.981 20.706 -16.480 0.00 0.00 SOLV ATOM 13276 OH2 TIP3 2428 23.763 -7.837 -20.131 0.00 0.00 SOLV ATOM 13277 H1 TIP3 2428 24.665 -7.660 -20.379 0.00 0.00 SOLV ATOM 13278 H2 TIP3 2428 23.218 -7.279 -20.729 0.00 0.00 SOLV ATOM 13279 OH2 TIP3 2429 5.305 -13.023 -4.875 0.00 0.00 SOLV ATOM 13280 H1 TIP3 2429 5.879 -13.180 -5.659 0.00 0.00 SOLV ATOM 13281 H2 TIP3 2429 4.789 -13.854 -4.790 0.00 0.00 SOLV ATOM 13282 OH2 TIP3 2430 -18.184 -3.712 20.024 0.00 0.00 SOLV ATOM 13283 H1 TIP3 2430 -18.937 -4.224 20.242 0.00 0.00 SOLV ATOM 13284 H2 TIP3 2430 -18.246 -2.915 20.539 0.00 0.00 SOLV ATOM 13285 OH2 TIP3 2431 9.320 -14.281 -5.201 0.00 0.00 SOLV ATOM 13286 H1 TIP3 2431 9.002 -13.885 -6.035 0.00 0.00 SOLV ATOM 13287 H2 TIP3 2431 8.692 -14.978 -5.100 0.00 0.00 SOLV ATOM 13288 OH2 TIP3 2432 16.717 3.734 -2.116 0.00 0.00 SOLV ATOM 13289 H1 TIP3 2432 16.584 3.304 -2.991 0.00 0.00 SOLV ATOM 13290 H2 TIP3 2432 17.461 4.275 -2.349 0.00 0.00 SOLV ATOM 13291 OH2 TIP3 2433 20.187 -2.021 1.212 0.00 0.00 SOLV ATOM 13292 H1 TIP3 2433 19.351 -2.141 1.743 0.00 0.00 SOLV ATOM 13293 H2 TIP3 2433 20.391 -2.957 1.036 0.00 0.00 SOLV ATOM 13294 OH2 TIP3 2434 4.901 -8.743 -47.233 0.00 0.00 SOLV ATOM 13295 H1 TIP3 2434 4.136 -8.260 -46.932 0.00 0.00 SOLV ATOM 13296 H2 TIP3 2434 5.621 -8.472 -46.625 0.00 0.00 SOLV ATOM 13297 OH2 TIP3 2435 15.445 -8.168 1.140 0.00 0.00 SOLV ATOM 13298 H1 TIP3 2435 14.555 -8.313 0.830 0.00 0.00 SOLV ATOM 13299 H2 TIP3 2435 15.444 -7.183 1.384 0.00 0.00 SOLV ATOM 13300 OH2 TIP3 2436 10.623 -7.631 -48.252 0.00 0.00 SOLV ATOM 13301 H1 TIP3 2436 10.703 -7.836 -47.298 0.00 0.00 SOLV ATOM 13302 H2 TIP3 2436 9.978 -8.349 -48.616 0.00 0.00 SOLV ATOM 13303 OH2 TIP3 2437 1.766 -5.345 -41.553 0.00 0.00 SOLV ATOM 13304 H1 TIP3 2437 2.379 -4.900 -40.943 0.00 0.00 SOLV ATOM 13305 H2 TIP3 2437 1.279 -4.634 -41.933 0.00 0.00 SOLV ATOM 13306 OH2 TIP3 2438 -10.943 -21.966 -10.927 0.00 0.00 SOLV ATOM 13307 H1 TIP3 2438 -11.876 -21.873 -11.212 0.00 0.00 SOLV ATOM 13308 H2 TIP3 2438 -10.619 -22.716 -11.480 0.00 0.00 SOLV ATOM 13309 OH2 TIP3 2439 9.850 -16.275 0.971 0.00 0.00 SOLV ATOM 13310 H1 TIP3 2439 9.485 -16.787 1.686 0.00 0.00 SOLV ATOM 13311 H2 TIP3 2439 9.182 -15.599 0.848 0.00 0.00 SOLV ATOM 13312 OH2 TIP3 2440 18.584 -9.009 -10.610 0.00 0.00 SOLV ATOM 13313 H1 TIP3 2440 19.129 -8.416 -10.124 0.00 0.00 SOLV ATOM 13314 H2 TIP3 2440 17.862 -8.494 -10.921 0.00 0.00 SOLV ATOM 13315 OH2 TIP3 2441 9.353 -10.172 -1.694 0.00 0.00 SOLV ATOM 13316 H1 TIP3 2441 9.050 -10.772 -1.033 0.00 0.00 SOLV ATOM 13317 H2 TIP3 2441 8.513 -9.716 -1.956 0.00 0.00 SOLV ATOM 13318 OH2 TIP3 2442 17.571 15.219 -14.541 0.00 0.00 SOLV ATOM 13319 H1 TIP3 2442 18.263 14.761 -15.181 0.00 0.00 SOLV ATOM 13320 H2 TIP3 2442 16.762 14.804 -14.850 0.00 0.00 SOLV ATOM 13321 OH2 TIP3 2443 10.204 -4.337 5.926 0.00 0.00 SOLV ATOM 13322 H1 TIP3 2443 10.563 -5.139 5.557 0.00 0.00 SOLV ATOM 13323 H2 TIP3 2443 9.414 -4.157 5.351 0.00 0.00 SOLV ATOM 13324 OH2 TIP3 2444 22.018 -6.116 -45.079 0.00 0.00 SOLV ATOM 13325 H1 TIP3 2444 21.372 -6.176 -44.358 0.00 0.00 SOLV ATOM 13326 H2 TIP3 2444 22.890 -6.336 -44.684 0.00 0.00 SOLV ATOM 13327 OH2 TIP3 2445 19.836 -9.138 -36.101 0.00 0.00 SOLV ATOM 13328 H1 TIP3 2445 18.917 -8.810 -35.795 0.00 0.00 SOLV ATOM 13329 H2 TIP3 2445 19.978 -9.939 -35.526 0.00 0.00 SOLV ATOM 13330 OH2 TIP3 2446 3.283 -0.043 -45.765 0.00 0.00 SOLV ATOM 13331 H1 TIP3 2446 3.874 0.685 -45.741 0.00 0.00 SOLV ATOM 13332 H2 TIP3 2446 2.414 0.423 -45.719 0.00 0.00 SOLV ATOM 13333 OH2 TIP3 2447 7.021 -12.808 -35.641 0.00 0.00 SOLV ATOM 13334 H1 TIP3 2447 6.516 -12.877 -36.480 0.00 0.00 SOLV ATOM 13335 H2 TIP3 2447 7.536 -13.602 -35.723 0.00 0.00 SOLV ATOM 13336 OH2 TIP3 2448 -9.735 -11.711 -22.041 0.00 0.00 SOLV ATOM 13337 H1 TIP3 2448 -10.035 -11.652 -22.974 0.00 0.00 SOLV ATOM 13338 H2 TIP3 2448 -8.878 -12.180 -22.232 0.00 0.00 SOLV ATOM 13339 OH2 TIP3 2449 20.162 -2.126 -3.762 0.00 0.00 SOLV ATOM 13340 H1 TIP3 2449 19.551 -2.804 -3.411 0.00 0.00 SOLV ATOM 13341 H2 TIP3 2449 20.361 -1.669 -2.913 0.00 0.00 SOLV ATOM 13342 OH2 TIP3 2450 10.592 -10.706 -4.229 0.00 0.00 SOLV ATOM 13343 H1 TIP3 2450 9.735 -10.970 -4.419 0.00 0.00 SOLV ATOM 13344 H2 TIP3 2450 10.724 -10.813 -3.278 0.00 0.00 SOLV ATOM 13345 OH2 TIP3 2451 19.210 -7.848 -38.721 0.00 0.00 SOLV ATOM 13346 H1 TIP3 2451 19.543 -7.003 -38.390 0.00 0.00 SOLV ATOM 13347 H2 TIP3 2451 19.786 -8.471 -38.267 0.00 0.00 SOLV ATOM 13348 OH2 TIP3 2452 9.828 -9.320 -45.093 0.00 0.00 SOLV ATOM 13349 H1 TIP3 2452 10.226 -8.462 -44.752 0.00 0.00 SOLV ATOM 13350 H2 TIP3 2452 10.283 -10.044 -44.691 0.00 0.00 SOLV ATOM 13351 OH2 TIP3 2453 25.295 6.234 -40.831 0.00 0.00 SOLV ATOM 13352 H1 TIP3 2453 25.227 5.310 -40.437 0.00 0.00 SOLV ATOM 13353 H2 TIP3 2453 24.411 6.367 -41.210 0.00 0.00 SOLV ATOM 13354 OH2 TIP3 2454 17.452 -2.351 -44.199 0.00 0.00 SOLV ATOM 13355 H1 TIP3 2454 17.605 -1.889 -43.330 0.00 0.00 SOLV ATOM 13356 H2 TIP3 2454 16.773 -3.043 -44.047 0.00 0.00 SOLV ATOM 13357 OH2 TIP3 2455 14.728 -10.815 -49.803 0.00 0.00 SOLV ATOM 13358 H1 TIP3 2455 14.230 -10.032 -50.073 0.00 0.00 SOLV ATOM 13359 H2 TIP3 2455 14.294 -11.092 -49.008 0.00 0.00 SOLV ATOM 13360 OH2 TIP3 2456 16.802 6.325 -45.089 0.00 0.00 SOLV ATOM 13361 H1 TIP3 2456 17.140 6.806 -44.304 0.00 0.00 SOLV ATOM 13362 H2 TIP3 2456 17.374 5.530 -45.148 0.00 0.00 SOLV ATOM 13363 OH2 TIP3 2457 16.408 17.903 -15.034 0.00 0.00 SOLV ATOM 13364 H1 TIP3 2457 16.490 18.467 -14.275 0.00 0.00 SOLV ATOM 13365 H2 TIP3 2457 16.999 17.202 -14.834 0.00 0.00 SOLV ATOM 13366 OH2 TIP3 2458 8.315 -1.571 -13.357 0.00 0.00 SOLV ATOM 13367 H1 TIP3 2458 7.593 -1.974 -13.853 0.00 0.00 SOLV ATOM 13368 H2 TIP3 2458 8.936 -2.257 -13.023 0.00 0.00 SOLV ATOM 13369 OH2 TIP3 2459 6.845 -12.436 -21.352 0.00 0.00 SOLV ATOM 13370 H1 TIP3 2459 7.656 -12.985 -21.238 0.00 0.00 SOLV ATOM 13371 H2 TIP3 2459 6.342 -12.686 -20.548 0.00 0.00 SOLV ATOM 13372 OH2 TIP3 2460 20.260 -11.603 -34.844 0.00 0.00 SOLV ATOM 13373 H1 TIP3 2460 21.167 -11.862 -34.752 0.00 0.00 SOLV ATOM 13374 H2 TIP3 2460 19.892 -11.922 -33.983 0.00 0.00 SOLV ATOM 13375 OH2 TIP3 2461 3.514 -10.466 -20.867 0.00 0.00 SOLV ATOM 13376 H1 TIP3 2461 2.800 -11.045 -20.722 0.00 0.00 SOLV ATOM 13377 H2 TIP3 2461 4.279 -10.795 -20.373 0.00 0.00 SOLV ATOM 13378 OH2 TIP3 2462 12.321 0.017 5.669 0.00 0.00 SOLV ATOM 13379 H1 TIP3 2462 12.816 0.347 6.401 0.00 0.00 SOLV ATOM 13380 H2 TIP3 2462 11.575 0.576 5.648 0.00 0.00 SOLV ATOM 13381 OH2 TIP3 2463 11.923 2.072 -47.877 0.00 0.00 SOLV ATOM 13382 H1 TIP3 2463 11.831 3.039 -47.994 0.00 0.00 SOLV ATOM 13383 H2 TIP3 2463 12.820 1.930 -47.961 0.00 0.00 SOLV ATOM 13384 OH2 TIP3 2464 15.590 13.038 -47.912 0.00 0.00 SOLV ATOM 13385 H1 TIP3 2464 14.861 13.713 -47.922 0.00 0.00 SOLV ATOM 13386 H2 TIP3 2464 15.939 13.116 -48.779 0.00 0.00 SOLV ATOM 13387 OH2 TIP3 2465 20.973 2.308 -51.634 0.00 0.00 SOLV ATOM 13388 H1 TIP3 2465 21.740 2.648 -51.229 0.00 0.00 SOLV ATOM 13389 H2 TIP3 2465 20.942 1.384 -51.319 0.00 0.00 SOLV ATOM 13390 OH2 TIP3 2466 7.255 -0.811 -45.862 0.00 0.00 SOLV ATOM 13391 H1 TIP3 2466 7.616 -0.840 -44.946 0.00 0.00 SOLV ATOM 13392 H2 TIP3 2466 7.551 -1.674 -46.226 0.00 0.00 SOLV ATOM 13393 OH2 TIP3 2467 9.434 17.880 -36.447 0.00 0.00 SOLV ATOM 13394 H1 TIP3 2467 9.659 16.966 -36.718 0.00 0.00 SOLV ATOM 13395 H2 TIP3 2467 8.484 17.852 -36.316 0.00 0.00 SOLV ATOM 13396 OH2 TIP3 2468 10.708 -4.226 -4.926 0.00 0.00 SOLV ATOM 13397 H1 TIP3 2468 10.236 -4.380 -5.777 0.00 0.00 SOLV ATOM 13398 H2 TIP3 2468 10.349 -3.410 -4.629 0.00 0.00 SOLV ATOM 13399 OH2 TIP3 2469 19.233 16.009 -2.846 0.00 0.00 SOLV ATOM 13400 H1 TIP3 2469 19.866 16.736 -2.865 0.00 0.00 SOLV ATOM 13401 H2 TIP3 2469 19.099 15.804 -1.862 0.00 0.00 SOLV ATOM 13402 OH2 TIP3 2470 13.695 6.093 -52.940 0.00 0.00 SOLV ATOM 13403 H1 TIP3 2470 14.015 6.037 -53.860 0.00 0.00 SOLV ATOM 13404 H2 TIP3 2470 13.193 6.885 -52.904 0.00 0.00 SOLV ATOM 13405 OH2 TIP3 2471 12.335 16.400 -50.861 0.00 0.00 SOLV ATOM 13406 H1 TIP3 2471 12.577 16.107 -51.751 0.00 0.00 SOLV ATOM 13407 H2 TIP3 2471 11.664 17.075 -51.064 0.00 0.00 SOLV ATOM 13408 OH2 TIP3 2472 16.429 4.069 -53.844 0.00 0.00 SOLV ATOM 13409 H1 TIP3 2472 15.798 4.474 -54.464 0.00 0.00 SOLV ATOM 13410 H2 TIP3 2472 17.219 3.884 -54.363 0.00 0.00 SOLV ATOM 13411 OH2 TIP3 2473 18.739 -4.874 -48.110 0.00 0.00 SOLV ATOM 13412 H1 TIP3 2473 18.493 -5.397 -47.329 0.00 0.00 SOLV ATOM 13413 H2 TIP3 2473 17.918 -4.980 -48.640 0.00 0.00 SOLV ATOM 13414 OH2 TIP3 2474 14.170 7.673 -2.147 0.00 0.00 SOLV ATOM 13415 H1 TIP3 2474 13.786 8.519 -2.275 0.00 0.00 SOLV ATOM 13416 H2 TIP3 2474 15.091 7.799 -2.514 0.00 0.00 SOLV ATOM 13417 OH2 TIP3 2475 1.855 8.260 16.108 0.00 0.00 SOLV ATOM 13418 H1 TIP3 2475 2.668 7.678 16.314 0.00 0.00 SOLV ATOM 13419 H2 TIP3 2475 1.129 7.698 16.236 0.00 0.00 SOLV ATOM 13420 OH2 TIP3 2476 1.466 -37.242 6.448 0.00 0.00 SOLV ATOM 13421 H1 TIP3 2476 1.964 -37.862 7.004 0.00 0.00 SOLV ATOM 13422 H2 TIP3 2476 0.768 -36.893 6.972 0.00 0.00 SOLV ATOM 13423 OH2 TIP3 2477 4.931 11.116 -44.249 0.00 0.00 SOLV ATOM 13424 H1 TIP3 2477 4.043 11.078 -43.971 0.00 0.00 SOLV ATOM 13425 H2 TIP3 2477 4.990 10.336 -44.739 0.00 0.00 SOLV ATOM 13426 OH2 TIP3 2478 9.396 9.632 -51.537 0.00 0.00 SOLV ATOM 13427 H1 TIP3 2478 8.461 9.295 -51.339 0.00 0.00 SOLV ATOM 13428 H2 TIP3 2478 9.630 10.227 -50.864 0.00 0.00 SOLV ATOM 13429 OH2 TIP3 2479 1.961 4.262 -49.664 0.00 0.00 SOLV ATOM 13430 H1 TIP3 2479 1.898 5.022 -49.039 0.00 0.00 SOLV ATOM 13431 H2 TIP3 2479 1.111 4.216 -50.179 0.00 0.00 SOLV ATOM 13432 OH2 TIP3 2480 18.770 22.179 -18.140 0.00 0.00 SOLV ATOM 13433 H1 TIP3 2480 19.294 22.270 -18.970 0.00 0.00 SOLV ATOM 13434 H2 TIP3 2480 19.330 21.514 -17.694 0.00 0.00 SOLV ATOM 13435 OH2 TIP3 2481 17.228 17.093 -21.460 0.00 0.00 SOLV ATOM 13436 H1 TIP3 2481 16.992 17.682 -20.729 0.00 0.00 SOLV ATOM 13437 H2 TIP3 2481 16.395 16.865 -21.842 0.00 0.00 SOLV ATOM 13438 OH2 TIP3 2482 21.336 8.127 -3.790 0.00 0.00 SOLV ATOM 13439 H1 TIP3 2482 22.106 8.705 -3.952 0.00 0.00 SOLV ATOM 13440 H2 TIP3 2482 21.614 7.295 -4.102 0.00 0.00 SOLV ATOM 13441 OH2 TIP3 2483 21.098 18.676 -13.363 0.00 0.00 SOLV ATOM 13442 H1 TIP3 2483 21.696 18.874 -12.615 0.00 0.00 SOLV ATOM 13443 H2 TIP3 2483 20.234 18.589 -12.895 0.00 0.00 SOLV ATOM 13444 OH2 TIP3 2484 13.059 5.279 -0.472 0.00 0.00 SOLV ATOM 13445 H1 TIP3 2484 13.817 4.725 -0.386 0.00 0.00 SOLV ATOM 13446 H2 TIP3 2484 13.339 5.811 -1.180 0.00 0.00 SOLV ATOM 13447 OH2 TIP3 2485 10.224 -9.959 5.603 0.00 0.00 SOLV ATOM 13448 H1 TIP3 2485 9.883 -10.860 5.659 0.00 0.00 SOLV ATOM 13449 H2 TIP3 2485 10.008 -9.618 6.444 0.00 0.00 SOLV ATOM 13450 OH2 TIP3 2486 17.729 14.213 4.598 0.00 0.00 SOLV ATOM 13451 H1 TIP3 2486 18.440 13.828 4.079 0.00 0.00 SOLV ATOM 13452 H2 TIP3 2486 18.062 14.270 5.538 0.00 0.00 SOLV ATOM 13453 OH2 TIP3 2487 10.609 6.303 -7.188 0.00 0.00 SOLV ATOM 13454 H1 TIP3 2487 10.261 5.598 -7.689 0.00 0.00 SOLV ATOM 13455 H2 TIP3 2487 10.020 6.991 -7.367 0.00 0.00 SOLV ATOM 13456 OH2 TIP3 2488 18.492 10.403 -54.771 0.00 0.00 SOLV ATOM 13457 H1 TIP3 2488 18.442 11.155 -54.096 0.00 0.00 SOLV ATOM 13458 H2 TIP3 2488 17.659 10.469 -55.181 0.00 0.00 SOLV ATOM 13459 OH2 TIP3 2489 11.039 -7.761 -37.207 0.00 0.00 SOLV ATOM 13460 H1 TIP3 2489 11.859 -7.990 -37.681 0.00 0.00 SOLV ATOM 13461 H2 TIP3 2489 11.266 -6.962 -36.664 0.00 0.00 SOLV ATOM 13462 OH2 TIP3 2490 11.344 -20.116 24.924 0.00 0.00 SOLV ATOM 13463 H1 TIP3 2490 10.412 -19.859 24.827 0.00 0.00 SOLV ATOM 13464 H2 TIP3 2490 11.477 -21.118 25.084 0.00 0.00 SOLV ATOM 13465 OH2 TIP3 2491 28.742 10.338 -25.719 0.00 0.00 SOLV ATOM 13466 H1 TIP3 2491 28.592 9.397 -26.024 0.00 0.00 SOLV ATOM 13467 H2 TIP3 2491 29.245 10.209 -24.850 0.00 0.00 SOLV ATOM 13468 OH2 TIP3 2492 16.944 8.684 7.667 0.00 0.00 SOLV ATOM 13469 H1 TIP3 2492 16.993 8.087 6.913 0.00 0.00 SOLV ATOM 13470 H2 TIP3 2492 16.355 8.270 8.350 0.00 0.00 SOLV ATOM 13471 OH2 TIP3 2493 11.410 13.339 -50.515 0.00 0.00 SOLV ATOM 13472 H1 TIP3 2493 10.840 13.509 -51.312 0.00 0.00 SOLV ATOM 13473 H2 TIP3 2493 11.216 12.432 -50.297 0.00 0.00 SOLV ATOM 13474 OH2 TIP3 2494 26.410 11.102 -40.868 0.00 0.00 SOLV ATOM 13475 H1 TIP3 2494 27.207 11.465 -40.553 0.00 0.00 SOLV ATOM 13476 H2 TIP3 2494 26.599 10.839 -41.774 0.00 0.00 SOLV ATOM 13477 OH2 TIP3 2495 22.501 15.087 -10.123 0.00 0.00 SOLV ATOM 13478 H1 TIP3 2495 21.799 15.761 -10.020 0.00 0.00 SOLV ATOM 13479 H2 TIP3 2495 22.238 14.522 -10.863 0.00 0.00 SOLV ATOM 13480 OH2 TIP3 2496 8.335 -24.096 -0.379 0.00 0.00 SOLV ATOM 13481 H1 TIP3 2496 7.718 -24.436 0.303 0.00 0.00 SOLV ATOM 13482 H2 TIP3 2496 8.049 -23.141 -0.448 0.00 0.00 SOLV ATOM 13483 OH2 TIP3 2497 5.692 19.432 -9.822 0.00 0.00 SOLV ATOM 13484 H1 TIP3 2497 5.691 18.451 -9.774 0.00 0.00 SOLV ATOM 13485 H2 TIP3 2497 4.738 19.610 -9.921 0.00 0.00 SOLV ATOM 13486 OH2 TIP3 2498 4.905 16.542 -40.844 0.00 0.00 SOLV ATOM 13487 H1 TIP3 2498 4.767 16.088 -41.712 0.00 0.00 SOLV ATOM 13488 H2 TIP3 2498 4.936 17.567 -41.097 0.00 0.00 SOLV ATOM 13489 OH2 TIP3 2499 -0.740 -24.005 -29.993 0.00 0.00 SOLV ATOM 13490 H1 TIP3 2499 -0.364 -24.884 -29.636 0.00 0.00 SOLV ATOM 13491 H2 TIP3 2499 -0.691 -23.377 -29.248 0.00 0.00 SOLV ATOM 13492 OH2 TIP3 2500 7.361 19.279 -6.876 0.00 0.00 SOLV ATOM 13493 H1 TIP3 2500 6.996 19.029 -6.023 0.00 0.00 SOLV ATOM 13494 H2 TIP3 2500 6.997 18.612 -7.484 0.00 0.00 SOLV ATOM 13495 OH2 TIP3 2501 13.387 -23.603 3.220 0.00 0.00 SOLV ATOM 13496 H1 TIP3 2501 13.673 -23.662 2.343 0.00 0.00 SOLV ATOM 13497 H2 TIP3 2501 14.147 -23.215 3.726 0.00 0.00 SOLV ATOM 13498 OH2 TIP3 2502 14.302 -16.512 7.247 0.00 0.00 SOLV ATOM 13499 H1 TIP3 2502 14.397 -15.664 6.764 0.00 0.00 SOLV ATOM 13500 H2 TIP3 2502 13.377 -16.360 7.577 0.00 0.00 SOLV ATOM 13501 OH2 TIP3 2503 17.733 17.279 -27.755 0.00 0.00 SOLV ATOM 13502 H1 TIP3 2503 18.502 17.592 -28.181 0.00 0.00 SOLV ATOM 13503 H2 TIP3 2503 18.016 16.430 -27.346 0.00 0.00 SOLV ATOM 13504 OH2 TIP3 2504 4.629 -12.322 -48.667 0.00 0.00 SOLV ATOM 13505 H1 TIP3 2504 4.040 -12.090 -47.969 0.00 0.00 SOLV ATOM 13506 H2 TIP3 2504 5.006 -13.189 -48.436 0.00 0.00 SOLV ATOM 13507 OH2 TIP3 2505 13.918 -17.778 -31.336 0.00 0.00 SOLV ATOM 13508 H1 TIP3 2505 13.390 -18.596 -31.228 0.00 0.00 SOLV ATOM 13509 H2 TIP3 2505 14.361 -17.704 -30.450 0.00 0.00 SOLV ATOM 13510 OH2 TIP3 2506 4.917 -25.631 3.761 0.00 0.00 SOLV ATOM 13511 H1 TIP3 2506 5.593 -26.001 4.409 0.00 0.00 SOLV ATOM 13512 H2 TIP3 2506 4.369 -26.411 3.562 0.00 0.00 SOLV ATOM 13513 OH2 TIP3 2507 13.759 -18.804 -13.792 0.00 0.00 SOLV ATOM 13514 H1 TIP3 2507 13.510 -18.837 -14.749 0.00 0.00 SOLV ATOM 13515 H2 TIP3 2507 13.606 -17.875 -13.545 0.00 0.00 SOLV ATOM 13516 OH2 TIP3 2508 -0.886 -17.538 0.995 0.00 0.00 SOLV ATOM 13517 H1 TIP3 2508 -0.771 -17.396 1.968 0.00 0.00 SOLV ATOM 13518 H2 TIP3 2508 0.005 -17.736 0.693 0.00 0.00 SOLV ATOM 13519 OH2 TIP3 2509 -0.904 -29.158 5.691 0.00 0.00 SOLV ATOM 13520 H1 TIP3 2509 -0.783 -28.331 6.173 0.00 0.00 SOLV ATOM 13521 H2 TIP3 2509 -0.798 -28.926 4.753 0.00 0.00 SOLV ATOM 13522 OH2 TIP3 2510 16.950 -16.845 -31.507 0.00 0.00 SOLV ATOM 13523 H1 TIP3 2510 16.101 -16.757 -31.943 0.00 0.00 SOLV ATOM 13524 H2 TIP3 2510 16.717 -16.922 -30.578 0.00 0.00 SOLV ATOM 13525 OH2 TIP3 2511 23.266 -17.631 -21.288 0.00 0.00 SOLV ATOM 13526 H1 TIP3 2511 23.701 -17.341 -22.106 0.00 0.00 SOLV ATOM 13527 H2 TIP3 2511 22.982 -16.802 -20.800 0.00 0.00 SOLV ATOM 13528 OH2 TIP3 2512 14.216 -23.687 0.451 0.00 0.00 SOLV ATOM 13529 H1 TIP3 2512 14.593 -22.799 0.279 0.00 0.00 SOLV ATOM 13530 H2 TIP3 2512 15.063 -24.119 0.435 0.00 0.00 SOLV ATOM 13531 OH2 TIP3 2513 16.524 -14.747 -19.548 0.00 0.00 SOLV ATOM 13532 H1 TIP3 2513 17.413 -14.599 -19.101 0.00 0.00 SOLV ATOM 13533 H2 TIP3 2513 15.955 -14.325 -18.943 0.00 0.00 SOLV ATOM 13534 OH2 TIP3 2514 12.011 -29.193 4.179 0.00 0.00 SOLV ATOM 13535 H1 TIP3 2514 11.966 -28.235 4.521 0.00 0.00 SOLV ATOM 13536 H2 TIP3 2514 12.773 -29.217 3.645 0.00 0.00 SOLV ATOM 13537 OH2 TIP3 2515 3.804 -12.979 -22.246 0.00 0.00 SOLV ATOM 13538 H1 TIP3 2515 4.578 -12.947 -22.825 0.00 0.00 SOLV ATOM 13539 H2 TIP3 2515 4.226 -12.961 -21.332 0.00 0.00 SOLV ATOM 13540 OH2 TIP3 2516 7.111 -14.273 -13.578 0.00 0.00 SOLV ATOM 13541 H1 TIP3 2516 6.647 -14.856 -14.142 0.00 0.00 SOLV ATOM 13542 H2 TIP3 2516 6.446 -13.557 -13.318 0.00 0.00 SOLV ATOM 13543 OH2 TIP3 2517 6.071 -6.331 -4.590 0.00 0.00 SOLV ATOM 13544 H1 TIP3 2517 5.385 -6.065 -3.901 0.00 0.00 SOLV ATOM 13545 H2 TIP3 2517 6.895 -6.323 -4.020 0.00 0.00 SOLV ATOM 13546 OH2 TIP3 2518 12.549 -17.807 3.430 0.00 0.00 SOLV ATOM 13547 H1 TIP3 2518 12.398 -18.300 2.644 0.00 0.00 SOLV ATOM 13548 H2 TIP3 2518 12.241 -16.909 3.200 0.00 0.00 SOLV ATOM 13549 OH2 TIP3 2519 11.659 -17.462 -45.129 0.00 0.00 SOLV ATOM 13550 H1 TIP3 2519 11.787 -17.126 -46.019 0.00 0.00 SOLV ATOM 13551 H2 TIP3 2519 11.441 -16.649 -44.638 0.00 0.00 SOLV ATOM 13552 OH2 TIP3 2520 11.905 14.573 -39.030 0.00 0.00 SOLV ATOM 13553 H1 TIP3 2520 11.110 15.089 -38.773 0.00 0.00 SOLV ATOM 13554 H2 TIP3 2520 11.776 13.710 -38.524 0.00 0.00 SOLV ATOM 13555 OH2 TIP3 2521 14.606 -21.680 -38.627 0.00 0.00 SOLV ATOM 13556 H1 TIP3 2521 15.429 -21.577 -39.194 0.00 0.00 SOLV ATOM 13557 H2 TIP3 2521 14.964 -21.403 -37.822 0.00 0.00 SOLV ATOM 13558 OH2 TIP3 2522 12.699 -16.360 -13.397 0.00 0.00 SOLV ATOM 13559 H1 TIP3 2522 11.874 -16.072 -13.760 0.00 0.00 SOLV ATOM 13560 H2 TIP3 2522 13.115 -15.506 -13.212 0.00 0.00 SOLV ATOM 13561 OH2 TIP3 2523 13.962 -10.604 -8.878 0.00 0.00 SOLV ATOM 13562 H1 TIP3 2523 13.633 -11.469 -9.199 0.00 0.00 SOLV ATOM 13563 H2 TIP3 2523 14.895 -10.710 -9.023 0.00 0.00 SOLV ATOM 13564 OH2 TIP3 2524 33.835 14.268 -16.651 0.00 0.00 SOLV ATOM 13565 H1 TIP3 2524 33.400 14.632 -17.520 0.00 0.00 SOLV ATOM 13566 H2 TIP3 2524 34.770 14.507 -16.649 0.00 0.00 SOLV ATOM 13567 OH2 TIP3 2525 13.644 -19.874 4.750 0.00 0.00 SOLV ATOM 13568 H1 TIP3 2525 13.301 -19.002 4.436 0.00 0.00 SOLV ATOM 13569 H2 TIP3 2525 13.352 -19.874 5.686 0.00 0.00 SOLV ATOM 13570 OH2 TIP3 2526 7.463 -11.370 -3.961 0.00 0.00 SOLV ATOM 13571 H1 TIP3 2526 6.818 -11.968 -4.499 0.00 0.00 SOLV ATOM 13572 H2 TIP3 2526 7.449 -10.550 -4.496 0.00 0.00 SOLV ATOM 13573 OH2 TIP3 2527 6.308 -15.740 -1.572 0.00 0.00 SOLV ATOM 13574 H1 TIP3 2527 6.380 -14.905 -1.879 0.00 0.00 SOLV ATOM 13575 H2 TIP3 2527 7.027 -15.740 -0.953 0.00 0.00 SOLV ATOM 13576 OH2 TIP3 2528 17.015 -7.910 -1.190 0.00 0.00 SOLV ATOM 13577 H1 TIP3 2528 16.194 -7.426 -1.430 0.00 0.00 SOLV ATOM 13578 H2 TIP3 2528 16.677 -8.630 -0.619 0.00 0.00 SOLV ATOM 13579 OH2 TIP3 2529 19.070 -16.518 -33.134 0.00 0.00 SOLV ATOM 13580 H1 TIP3 2529 18.265 -16.641 -32.726 0.00 0.00 SOLV ATOM 13581 H2 TIP3 2529 18.899 -15.835 -33.843 0.00 0.00 SOLV ATOM 13582 OH2 TIP3 2530 11.493 -17.290 -37.977 0.00 0.00 SOLV ATOM 13583 H1 TIP3 2530 11.637 -17.988 -38.598 0.00 0.00 SOLV ATOM 13584 H2 TIP3 2530 10.589 -17.547 -37.640 0.00 0.00 SOLV ATOM 13585 OH2 TIP3 2531 6.576 -17.198 -31.235 0.00 0.00 SOLV ATOM 13586 H1 TIP3 2531 6.029 -17.134 -30.391 0.00 0.00 SOLV ATOM 13587 H2 TIP3 2531 7.070 -16.306 -31.188 0.00 0.00 SOLV ATOM 13588 OH2 TIP3 2532 16.784 -9.411 -45.498 0.00 0.00 SOLV ATOM 13589 H1 TIP3 2532 17.748 -9.168 -45.450 0.00 0.00 SOLV ATOM 13590 H2 TIP3 2532 16.687 -9.397 -46.444 0.00 0.00 SOLV ATOM 13591 OH2 TIP3 2533 9.249 -18.881 -37.273 0.00 0.00 SOLV ATOM 13592 H1 TIP3 2533 9.630 -19.792 -37.293 0.00 0.00 SOLV ATOM 13593 H2 TIP3 2533 8.458 -18.937 -37.812 0.00 0.00 SOLV ATOM 13594 OH2 TIP3 2534 20.122 -15.691 -10.476 0.00 0.00 SOLV ATOM 13595 H1 TIP3 2534 20.811 -15.736 -9.809 0.00 0.00 SOLV ATOM 13596 H2 TIP3 2534 19.287 -15.643 -9.941 0.00 0.00 SOLV ATOM 13597 OH2 TIP3 2535 23.322 -9.686 -12.827 0.00 0.00 SOLV ATOM 13598 H1 TIP3 2535 22.410 -9.948 -12.433 0.00 0.00 SOLV ATOM 13599 H2 TIP3 2535 23.060 -9.234 -13.621 0.00 0.00 SOLV ATOM 13600 OH2 TIP3 2536 28.496 4.978 -16.435 0.00 0.00 SOLV ATOM 13601 H1 TIP3 2536 28.323 5.842 -16.839 0.00 0.00 SOLV ATOM 13602 H2 TIP3 2536 28.034 5.089 -15.640 0.00 0.00 SOLV ATOM 13603 OH2 TIP3 2537 20.361 -7.006 -10.279 0.00 0.00 SOLV ATOM 13604 H1 TIP3 2537 21.256 -6.779 -9.941 0.00 0.00 SOLV ATOM 13605 H2 TIP3 2537 19.753 -6.408 -9.802 0.00 0.00 SOLV ATOM 13606 OH2 TIP3 2538 17.157 6.045 9.160 0.00 0.00 SOLV ATOM 13607 H1 TIP3 2538 17.756 6.373 9.916 0.00 0.00 SOLV ATOM 13608 H2 TIP3 2538 16.280 6.229 9.464 0.00 0.00 SOLV ATOM 13609 OH2 TIP3 2539 15.645 -5.409 2.292 0.00 0.00 SOLV ATOM 13610 H1 TIP3 2539 15.560 -4.592 1.800 0.00 0.00 SOLV ATOM 13611 H2 TIP3 2539 14.994 -5.315 2.996 0.00 0.00 SOLV ATOM 13612 OH2 TIP3 2540 12.683 -7.912 1.410 0.00 0.00 SOLV ATOM 13613 H1 TIP3 2540 12.680 -7.095 1.014 0.00 0.00 SOLV ATOM 13614 H2 TIP3 2540 12.013 -7.900 2.077 0.00 0.00 SOLV ATOM 13615 OH2 TIP3 2541 19.467 -7.538 -2.393 0.00 0.00 SOLV ATOM 13616 H1 TIP3 2541 20.209 -7.881 -1.857 0.00 0.00 SOLV ATOM 13617 H2 TIP3 2541 18.639 -7.853 -1.970 0.00 0.00 SOLV ATOM 13618 OH2 TIP3 2542 22.424 -15.219 -24.104 0.00 0.00 SOLV ATOM 13619 H1 TIP3 2542 22.009 -14.507 -23.501 0.00 0.00 SOLV ATOM 13620 H2 TIP3 2542 22.126 -14.919 -24.969 0.00 0.00 SOLV ATOM 13621 OH2 TIP3 2543 -1.070 -5.714 -30.128 0.00 0.00 SOLV ATOM 13622 H1 TIP3 2543 -1.636 -6.185 -29.539 0.00 0.00 SOLV ATOM 13623 H2 TIP3 2543 -0.754 -6.353 -30.775 0.00 0.00 SOLV ATOM 13624 OH2 TIP3 2544 18.560 -19.515 -15.172 0.00 0.00 SOLV ATOM 13625 H1 TIP3 2544 18.141 -20.168 -14.541 0.00 0.00 SOLV ATOM 13626 H2 TIP3 2544 18.574 -18.665 -14.741 0.00 0.00 SOLV ATOM 13627 OH2 TIP3 2545 2.958 -3.433 3.528 0.00 0.00 SOLV ATOM 13628 H1 TIP3 2545 2.166 -3.872 3.898 0.00 0.00 SOLV ATOM 13629 H2 TIP3 2545 3.605 -3.590 4.227 0.00 0.00 SOLV ATOM 13630 OH2 TIP3 2546 18.566 0.121 21.296 0.00 0.00 SOLV ATOM 13631 H1 TIP3 2546 18.062 -0.301 20.535 0.00 0.00 SOLV ATOM 13632 H2 TIP3 2546 18.811 -0.663 21.808 0.00 0.00 SOLV ATOM 13633 OH2 TIP3 2547 24.353 -10.684 -15.738 0.00 0.00 SOLV ATOM 13634 H1 TIP3 2547 23.418 -10.785 -15.403 0.00 0.00 SOLV ATOM 13635 H2 TIP3 2547 24.311 -11.035 -16.675 0.00 0.00 SOLV ATOM 13636 OH2 TIP3 2548 -3.420 -22.896 -21.285 0.00 0.00 SOLV ATOM 13637 H1 TIP3 2548 -4.192 -23.364 -21.644 0.00 0.00 SOLV ATOM 13638 H2 TIP3 2548 -3.305 -23.386 -20.422 0.00 0.00 SOLV ATOM 13639 OH2 TIP3 2549 24.157 -7.953 -16.087 0.00 0.00 SOLV ATOM 13640 H1 TIP3 2549 24.275 -8.911 -16.025 0.00 0.00 SOLV ATOM 13641 H2 TIP3 2549 23.338 -7.791 -15.580 0.00 0.00 SOLV ATOM 13642 OH2 TIP3 2550 18.145 1.381 2.305 0.00 0.00 SOLV ATOM 13643 H1 TIP3 2550 17.845 1.079 1.368 0.00 0.00 SOLV ATOM 13644 H2 TIP3 2550 17.362 1.241 2.839 0.00 0.00 SOLV ATOM 13645 OH2 TIP3 2551 13.751 -12.611 0.966 0.00 0.00 SOLV ATOM 13646 H1 TIP3 2551 14.158 -12.152 1.774 0.00 0.00 SOLV ATOM 13647 H2 TIP3 2551 14.512 -13.287 0.787 0.00 0.00 SOLV ATOM 13648 OH2 TIP3 2552 14.400 -13.738 -18.125 0.00 0.00 SOLV ATOM 13649 H1 TIP3 2552 13.539 -14.294 -18.165 0.00 0.00 SOLV ATOM 13650 H2 TIP3 2552 14.168 -12.886 -18.515 0.00 0.00 SOLV ATOM 13651 OH2 TIP3 2553 20.361 -12.546 -10.689 0.00 0.00 SOLV ATOM 13652 H1 TIP3 2553 19.768 -12.174 -10.059 0.00 0.00 SOLV ATOM 13653 H2 TIP3 2553 20.062 -13.469 -10.832 0.00 0.00 SOLV ATOM 13654 OH2 TIP3 2554 11.685 -13.492 -46.156 0.00 0.00 SOLV ATOM 13655 H1 TIP3 2554 11.546 -14.000 -46.821 0.00 0.00 SOLV ATOM 13656 H2 TIP3 2554 11.515 -14.115 -45.449 0.00 0.00 SOLV ATOM 13657 OH2 TIP3 2555 -34.463 -7.340 5.258 0.00 0.00 SOLV ATOM 13658 H1 TIP3 2555 -34.336 -6.798 4.499 0.00 0.00 SOLV ATOM 13659 H2 TIP3 2555 -33.984 -6.887 5.989 0.00 0.00 SOLV ATOM 13660 OH2 TIP3 2556 9.411 -17.586 -40.495 0.00 0.00 SOLV ATOM 13661 H1 TIP3 2556 8.721 -18.121 -40.129 0.00 0.00 SOLV ATOM 13662 H2 TIP3 2556 8.903 -17.036 -41.112 0.00 0.00 SOLV ATOM 13663 OH2 TIP3 2557 13.001 -14.494 -35.060 0.00 0.00 SOLV ATOM 13664 H1 TIP3 2557 13.552 -14.982 -35.728 0.00 0.00 SOLV ATOM 13665 H2 TIP3 2557 13.650 -13.941 -34.642 0.00 0.00 SOLV ATOM 13666 OH2 TIP3 2558 9.604 -10.136 -37.757 0.00 0.00 SOLV ATOM 13667 H1 TIP3 2558 9.941 -9.199 -37.648 0.00 0.00 SOLV ATOM 13668 H2 TIP3 2558 9.064 -9.998 -38.631 0.00 0.00 SOLV ATOM 13669 OH2 TIP3 2559 13.162 -15.257 -31.942 0.00 0.00 SOLV ATOM 13670 H1 TIP3 2559 12.287 -14.962 -32.286 0.00 0.00 SOLV ATOM 13671 H2 TIP3 2559 13.167 -16.216 -31.843 0.00 0.00 SOLV ATOM 13672 OH2 TIP3 2560 15.814 -10.640 -42.318 0.00 0.00 SOLV ATOM 13673 H1 TIP3 2560 16.532 -10.990 -42.839 0.00 0.00 SOLV ATOM 13674 H2 TIP3 2560 16.128 -9.727 -42.070 0.00 0.00 SOLV ATOM 13675 OH2 TIP3 2561 3.010 -22.875 -23.448 0.00 0.00 SOLV ATOM 13676 H1 TIP3 2561 2.322 -23.145 -24.101 0.00 0.00 SOLV ATOM 13677 H2 TIP3 2561 3.550 -22.215 -23.890 0.00 0.00 SOLV ATOM 13678 OH2 TIP3 2562 11.451 -9.160 -6.191 0.00 0.00 SOLV ATOM 13679 H1 TIP3 2562 10.871 -9.604 -5.539 0.00 0.00 SOLV ATOM 13680 H2 TIP3 2562 11.361 -8.230 -5.988 0.00 0.00 SOLV ATOM 13681 OH2 TIP3 2563 12.702 -12.982 -29.010 0.00 0.00 SOLV ATOM 13682 H1 TIP3 2563 13.113 -12.414 -29.713 0.00 0.00 SOLV ATOM 13683 H2 TIP3 2563 12.798 -12.451 -28.220 0.00 0.00 SOLV ATOM 13684 OH2 TIP3 2564 3.076 -2.366 -47.196 0.00 0.00 SOLV ATOM 13685 H1 TIP3 2564 3.852 -2.890 -47.195 0.00 0.00 SOLV ATOM 13686 H2 TIP3 2564 3.385 -1.514 -46.857 0.00 0.00 SOLV ATOM 13687 OH2 TIP3 2565 -3.925 19.752 2.435 0.00 0.00 SOLV ATOM 13688 H1 TIP3 2565 -4.162 20.430 3.119 0.00 0.00 SOLV ATOM 13689 H2 TIP3 2565 -4.216 20.223 1.660 0.00 0.00 SOLV ATOM 13690 OH2 TIP3 2566 -5.484 -9.971 2.739 0.00 0.00 SOLV ATOM 13691 H1 TIP3 2566 -4.870 -10.666 2.943 0.00 0.00 SOLV ATOM 13692 H2 TIP3 2566 -5.265 -9.223 3.343 0.00 0.00 SOLV ATOM 13693 OH2 TIP3 2567 3.408 -6.882 -43.387 0.00 0.00 SOLV ATOM 13694 H1 TIP3 2567 2.947 -6.097 -42.985 0.00 0.00 SOLV ATOM 13695 H2 TIP3 2567 3.585 -7.427 -42.611 0.00 0.00 SOLV ATOM 13696 OH2 TIP3 2568 10.465 -21.259 -37.604 0.00 0.00 SOLV ATOM 13697 H1 TIP3 2568 11.179 -20.795 -38.043 0.00 0.00 SOLV ATOM 13698 H2 TIP3 2568 10.404 -22.054 -38.161 0.00 0.00 SOLV ATOM 13699 OH2 TIP3 2569 1.072 16.698 -29.355 0.00 0.00 SOLV ATOM 13700 H1 TIP3 2569 1.162 17.578 -29.691 0.00 0.00 SOLV ATOM 13701 H2 TIP3 2569 1.378 16.229 -30.121 0.00 0.00 SOLV ATOM 13702 OH2 TIP3 2570 0.209 -25.196 -9.860 0.00 0.00 SOLV ATOM 13703 H1 TIP3 2570 -0.474 -25.952 -9.813 0.00 0.00 SOLV ATOM 13704 H2 TIP3 2570 -0.103 -24.579 -10.507 0.00 0.00 SOLV ATOM 13705 OH2 TIP3 2571 16.383 0.204 7.009 0.00 0.00 SOLV ATOM 13706 H1 TIP3 2571 16.673 0.811 7.707 0.00 0.00 SOLV ATOM 13707 H2 TIP3 2571 15.569 0.493 6.717 0.00 0.00 SOLV ATOM 13708 OH2 TIP3 2572 17.339 4.919 -51.563 0.00 0.00 SOLV ATOM 13709 H1 TIP3 2572 17.109 4.141 -51.025 0.00 0.00 SOLV ATOM 13710 H2 TIP3 2572 16.946 4.665 -52.435 0.00 0.00 SOLV ATOM 13711 OH2 TIP3 2573 19.673 -3.877 -50.906 0.00 0.00 SOLV ATOM 13712 H1 TIP3 2573 19.982 -4.165 -51.781 0.00 0.00 SOLV ATOM 13713 H2 TIP3 2573 19.841 -4.637 -50.379 0.00 0.00 SOLV ATOM 13714 OH2 TIP3 2574 -0.784 14.507 -26.417 0.00 0.00 SOLV ATOM 13715 H1 TIP3 2574 -0.603 13.582 -26.221 0.00 0.00 SOLV ATOM 13716 H2 TIP3 2574 -0.535 14.975 -25.561 0.00 0.00 SOLV ATOM 13717 OH2 TIP3 2575 22.796 -5.214 -12.845 0.00 0.00 SOLV ATOM 13718 H1 TIP3 2575 22.691 -4.532 -12.154 0.00 0.00 SOLV ATOM 13719 H2 TIP3 2575 21.951 -5.720 -12.853 0.00 0.00 SOLV ATOM 13720 OH2 TIP3 2576 10.272 8.227 -45.621 0.00 0.00 SOLV ATOM 13721 H1 TIP3 2576 11.171 8.587 -45.530 0.00 0.00 SOLV ATOM 13722 H2 TIP3 2576 10.376 7.805 -46.508 0.00 0.00 SOLV ATOM 13723 OH2 TIP3 2577 7.383 -3.940 8.531 0.00 0.00 SOLV ATOM 13724 H1 TIP3 2577 8.344 -4.064 8.357 0.00 0.00 SOLV ATOM 13725 H2 TIP3 2577 7.426 -3.675 9.491 0.00 0.00 SOLV ATOM 13726 OH2 TIP3 2578 12.969 -3.151 -1.911 0.00 0.00 SOLV ATOM 13727 H1 TIP3 2578 12.681 -2.226 -1.807 0.00 0.00 SOLV ATOM 13728 H2 TIP3 2578 12.111 -3.590 -1.969 0.00 0.00 SOLV ATOM 13729 OH2 TIP3 2579 -3.049 -18.681 4.208 0.00 0.00 SOLV ATOM 13730 H1 TIP3 2579 -3.022 -17.814 4.595 0.00 0.00 SOLV ATOM 13731 H2 TIP3 2579 -3.618 -19.126 4.832 0.00 0.00 SOLV ATOM 13732 OH2 TIP3 2580 14.729 -3.467 6.647 0.00 0.00 SOLV ATOM 13733 H1 TIP3 2580 15.256 -3.664 5.873 0.00 0.00 SOLV ATOM 13734 H2 TIP3 2580 13.842 -3.061 6.313 0.00 0.00 SOLV ATOM 13735 OH2 TIP3 2581 20.251 4.601 4.180 0.00 0.00 SOLV ATOM 13736 H1 TIP3 2581 19.975 3.904 4.798 0.00 0.00 SOLV ATOM 13737 H2 TIP3 2581 20.442 4.060 3.377 0.00 0.00 SOLV ATOM 13738 OH2 TIP3 2582 14.307 5.963 -55.617 0.00 0.00 SOLV ATOM 13739 H1 TIP3 2582 13.670 5.375 -56.026 0.00 0.00 SOLV ATOM 13740 H2 TIP3 2582 14.760 6.294 -56.397 0.00 0.00 SOLV ATOM 13741 OH2 TIP3 2583 8.086 3.560 5.701 0.00 0.00 SOLV ATOM 13742 H1 TIP3 2583 8.114 4.502 6.039 0.00 0.00 SOLV ATOM 13743 H2 TIP3 2583 7.245 3.265 5.928 0.00 0.00 SOLV ATOM 13744 OH2 TIP3 2584 0.647 13.974 -35.812 0.00 0.00 SOLV ATOM 13745 H1 TIP3 2584 0.945 14.904 -35.613 0.00 0.00 SOLV ATOM 13746 H2 TIP3 2584 0.519 13.955 -36.773 0.00 0.00 SOLV ATOM 13747 OH2 TIP3 2585 13.110 3.173 -45.008 0.00 0.00 SOLV ATOM 13748 H1 TIP3 2585 13.698 2.455 -45.398 0.00 0.00 SOLV ATOM 13749 H2 TIP3 2585 13.434 3.969 -45.498 0.00 0.00 SOLV ATOM 13750 OH2 TIP3 2586 5.997 -1.099 -50.435 0.00 0.00 SOLV ATOM 13751 H1 TIP3 2586 5.909 -0.330 -49.772 0.00 0.00 SOLV ATOM 13752 H2 TIP3 2586 6.389 -1.826 -49.888 0.00 0.00 SOLV ATOM 13753 OH2 TIP3 2587 17.182 -23.189 -24.589 0.00 0.00 SOLV ATOM 13754 H1 TIP3 2587 17.790 -22.497 -24.297 0.00 0.00 SOLV ATOM 13755 H2 TIP3 2587 16.900 -22.831 -25.480 0.00 0.00 SOLV ATOM 13756 OH2 TIP3 2588 7.961 12.865 0.493 0.00 0.00 SOLV ATOM 13757 H1 TIP3 2588 8.482 12.137 0.750 0.00 0.00 SOLV ATOM 13758 H2 TIP3 2588 7.790 13.265 1.388 0.00 0.00 SOLV ATOM 13759 OH2 TIP3 2589 15.183 3.613 0.142 0.00 0.00 SOLV ATOM 13760 H1 TIP3 2589 15.660 3.861 -0.672 0.00 0.00 SOLV ATOM 13761 H2 TIP3 2589 14.844 2.748 -0.104 0.00 0.00 SOLV ATOM 13762 OH2 TIP3 2590 9.751 0.414 1.261 0.00 0.00 SOLV ATOM 13763 H1 TIP3 2590 10.499 0.962 0.981 0.00 0.00 SOLV ATOM 13764 H2 TIP3 2590 9.683 0.586 2.185 0.00 0.00 SOLV ATOM 13765 OH2 TIP3 2591 15.987 -0.848 1.321 0.00 0.00 SOLV ATOM 13766 H1 TIP3 2591 16.651 -0.503 0.687 0.00 0.00 SOLV ATOM 13767 H2 TIP3 2591 16.496 -1.563 1.776 0.00 0.00 SOLV ATOM 13768 OH2 TIP3 2592 20.946 0.368 2.898 0.00 0.00 SOLV ATOM 13769 H1 TIP3 2592 20.623 1.006 3.459 0.00 0.00 SOLV ATOM 13770 H2 TIP3 2592 20.121 0.112 2.434 0.00 0.00 SOLV ATOM 13771 OH2 TIP3 2593 8.844 22.069 -3.544 0.00 0.00 SOLV ATOM 13772 H1 TIP3 2593 8.870 22.693 -2.801 0.00 0.00 SOLV ATOM 13773 H2 TIP3 2593 7.919 22.125 -3.706 0.00 0.00 SOLV ATOM 13774 OH2 TIP3 2594 18.643 -1.586 -49.369 0.00 0.00 SOLV ATOM 13775 H1 TIP3 2594 19.071 -2.358 -49.751 0.00 0.00 SOLV ATOM 13776 H2 TIP3 2594 17.913 -1.485 -50.005 0.00 0.00 SOLV ATOM 13777 OH2 TIP3 2595 9.535 8.123 9.003 0.00 0.00 SOLV ATOM 13778 H1 TIP3 2595 9.410 8.693 8.247 0.00 0.00 SOLV ATOM 13779 H2 TIP3 2595 10.238 8.537 9.504 0.00 0.00 SOLV ATOM 13780 OH2 TIP3 2596 11.508 0.801 -45.339 0.00 0.00 SOLV ATOM 13781 H1 TIP3 2596 11.300 1.044 -46.267 0.00 0.00 SOLV ATOM 13782 H2 TIP3 2596 11.998 1.597 -45.049 0.00 0.00 SOLV ATOM 13783 OH2 TIP3 2597 14.927 2.271 -49.090 0.00 0.00 SOLV ATOM 13784 H1 TIP3 2597 14.445 2.802 -49.739 0.00 0.00 SOLV ATOM 13785 H2 TIP3 2597 15.111 1.514 -49.690 0.00 0.00 SOLV ATOM 13786 OH2 TIP3 2598 0.907 -12.644 -25.025 0.00 0.00 SOLV ATOM 13787 H1 TIP3 2598 0.890 -11.880 -24.385 0.00 0.00 SOLV ATOM 13788 H2 TIP3 2598 1.841 -12.608 -25.264 0.00 0.00 SOLV ATOM 13789 OH2 TIP3 2599 21.532 11.098 -13.305 0.00 0.00 SOLV ATOM 13790 H1 TIP3 2599 20.779 10.787 -12.776 0.00 0.00 SOLV ATOM 13791 H2 TIP3 2599 22.136 10.322 -13.148 0.00 0.00 SOLV ATOM 13792 OH2 TIP3 2600 -12.660 -5.660 -0.110 0.00 0.00 SOLV ATOM 13793 H1 TIP3 2600 -12.101 -5.116 0.339 0.00 0.00 SOLV ATOM 13794 H2 TIP3 2600 -13.142 -5.066 -0.672 0.00 0.00 SOLV ATOM 13795 OH2 TIP3 2601 17.683 -8.330 4.286 0.00 0.00 SOLV ATOM 13796 H1 TIP3 2601 17.326 -8.130 5.127 0.00 0.00 SOLV ATOM 13797 H2 TIP3 2601 17.188 -9.161 3.990 0.00 0.00 SOLV ATOM 13798 OH2 TIP3 2602 22.502 15.910 2.015 0.00 0.00 SOLV ATOM 13799 H1 TIP3 2602 22.759 16.770 2.360 0.00 0.00 SOLV ATOM 13800 H2 TIP3 2602 22.343 15.360 2.783 0.00 0.00 SOLV ATOM 13801 OH2 TIP3 2603 19.497 7.609 5.604 0.00 0.00 SOLV ATOM 13802 H1 TIP3 2603 19.257 8.442 5.161 0.00 0.00 SOLV ATOM 13803 H2 TIP3 2603 20.265 7.249 5.107 0.00 0.00 SOLV ATOM 13804 OH2 TIP3 2604 22.882 8.846 -51.543 0.00 0.00 SOLV ATOM 13805 H1 TIP3 2604 22.008 8.569 -51.187 0.00 0.00 SOLV ATOM 13806 H2 TIP3 2604 22.690 9.259 -52.422 0.00 0.00 SOLV ATOM 13807 OH2 TIP3 2605 7.131 -8.985 -45.519 0.00 0.00 SOLV ATOM 13808 H1 TIP3 2605 8.139 -9.019 -45.264 0.00 0.00 SOLV ATOM 13809 H2 TIP3 2605 7.208 -8.251 -46.167 0.00 0.00 SOLV ATOM 13810 OH2 TIP3 2606 -0.572 11.091 -42.894 0.00 0.00 SOLV ATOM 13811 H1 TIP3 2606 -0.669 11.464 -43.829 0.00 0.00 SOLV ATOM 13812 H2 TIP3 2606 -0.019 11.781 -42.546 0.00 0.00 SOLV ATOM 13813 OH2 TIP3 2607 6.689 8.822 6.024 0.00 0.00 SOLV ATOM 13814 H1 TIP3 2607 6.704 8.228 5.196 0.00 0.00 SOLV ATOM 13815 H2 TIP3 2607 5.980 8.433 6.505 0.00 0.00 SOLV ATOM 13816 OH2 TIP3 2608 3.117 -2.224 1.059 0.00 0.00 SOLV ATOM 13817 H1 TIP3 2608 3.162 -2.607 2.028 0.00 0.00 SOLV ATOM 13818 H2 TIP3 2608 3.215 -3.024 0.482 0.00 0.00 SOLV ATOM 13819 OH2 TIP3 2609 4.904 3.689 -0.533 0.00 0.00 SOLV ATOM 13820 H1 TIP3 2609 4.115 3.938 -0.972 0.00 0.00 SOLV ATOM 13821 H2 TIP3 2609 5.390 3.041 -1.119 0.00 0.00 SOLV ATOM 13822 OH2 TIP3 2610 25.440 -3.569 -39.961 0.00 0.00 SOLV ATOM 13823 H1 TIP3 2610 26.294 -3.199 -39.823 0.00 0.00 SOLV ATOM 13824 H2 TIP3 2610 24.963 -2.861 -40.405 0.00 0.00 SOLV ATOM 13825 OH2 TIP3 2611 15.398 15.383 3.304 0.00 0.00 SOLV ATOM 13826 H1 TIP3 2611 15.456 16.263 3.618 0.00 0.00 SOLV ATOM 13827 H2 TIP3 2611 15.993 14.896 3.806 0.00 0.00 SOLV ATOM 13828 OH2 TIP3 2612 22.069 17.115 -26.069 0.00 0.00 SOLV ATOM 13829 H1 TIP3 2612 22.928 17.538 -26.272 0.00 0.00 SOLV ATOM 13830 H2 TIP3 2612 21.406 17.794 -26.204 0.00 0.00 SOLV ATOM 13831 OH2 TIP3 2613 21.136 0.498 7.270 0.00 0.00 SOLV ATOM 13832 H1 TIP3 2613 21.524 -0.269 7.705 0.00 0.00 SOLV ATOM 13833 H2 TIP3 2613 20.411 0.099 6.769 0.00 0.00 SOLV ATOM 13834 OH2 TIP3 2614 14.100 5.599 -46.127 0.00 0.00 SOLV ATOM 13835 H1 TIP3 2614 13.618 6.288 -45.578 0.00 0.00 SOLV ATOM 13836 H2 TIP3 2614 15.065 5.842 -45.912 0.00 0.00 SOLV ATOM 13837 OH2 TIP3 2615 -11.052 23.728 -13.040 0.00 0.00 SOLV ATOM 13838 H1 TIP3 2615 -11.215 22.829 -13.267 0.00 0.00 SOLV ATOM 13839 H2 TIP3 2615 -11.158 24.207 -13.858 0.00 0.00 SOLV ATOM 13840 OH2 TIP3 2616 10.609 1.135 -5.081 0.00 0.00 SOLV ATOM 13841 H1 TIP3 2616 11.035 1.635 -4.322 0.00 0.00 SOLV ATOM 13842 H2 TIP3 2616 11.070 0.308 -5.102 0.00 0.00 SOLV ATOM 13843 OH2 TIP3 2617 13.875 23.612 -18.029 0.00 0.00 SOLV ATOM 13844 H1 TIP3 2617 13.259 23.728 -18.727 0.00 0.00 SOLV ATOM 13845 H2 TIP3 2617 14.626 23.240 -18.435 0.00 0.00 SOLV ATOM 13846 OH2 TIP3 2618 -4.631 10.962 -34.691 0.00 0.00 SOLV ATOM 13847 H1 TIP3 2618 -3.681 10.961 -34.403 0.00 0.00 SOLV ATOM 13848 H2 TIP3 2618 -4.675 11.749 -35.271 0.00 0.00 SOLV ATOM 13849 OH2 TIP3 2619 27.481 14.376 -24.618 0.00 0.00 SOLV ATOM 13850 H1 TIP3 2619 28.191 13.834 -24.872 0.00 0.00 SOLV ATOM 13851 H2 TIP3 2619 27.907 15.229 -24.411 0.00 0.00 SOLV ATOM 13852 OH2 TIP3 2620 6.075 -2.401 -2.851 0.00 0.00 SOLV ATOM 13853 H1 TIP3 2620 5.741 -1.942 -2.063 0.00 0.00 SOLV ATOM 13854 H2 TIP3 2620 6.048 -3.343 -2.482 0.00 0.00 SOLV ATOM 13855 OH2 TIP3 2621 18.345 9.412 -4.416 0.00 0.00 SOLV ATOM 13856 H1 TIP3 2621 18.766 8.856 -5.104 0.00 0.00 SOLV ATOM 13857 H2 TIP3 2621 19.066 9.815 -3.843 0.00 0.00 SOLV ATOM 13858 OH2 TIP3 2622 -38.910 9.575 6.275 0.00 0.00 SOLV ATOM 13859 H1 TIP3 2622 -38.643 8.619 6.326 0.00 0.00 SOLV ATOM 13860 H2 TIP3 2622 -39.719 9.444 5.795 0.00 0.00 SOLV ATOM 13861 OH2 TIP3 2623 -15.026 -12.061 -22.244 0.00 0.00 SOLV ATOM 13862 H1 TIP3 2623 -15.870 -12.237 -22.617 0.00 0.00 SOLV ATOM 13863 H2 TIP3 2623 -14.911 -12.424 -21.414 0.00 0.00 SOLV ATOM 13864 OH2 TIP3 2624 15.217 10.408 -46.468 0.00 0.00 SOLV ATOM 13865 H1 TIP3 2624 16.085 10.180 -46.240 0.00 0.00 SOLV ATOM 13866 H2 TIP3 2624 15.350 11.248 -46.844 0.00 0.00 SOLV ATOM 13867 OH2 TIP3 2625 18.257 12.704 -53.169 0.00 0.00 SOLV ATOM 13868 H1 TIP3 2625 17.700 13.496 -53.002 0.00 0.00 SOLV ATOM 13869 H2 TIP3 2625 18.643 12.627 -52.263 0.00 0.00 SOLV ATOM 13870 OH2 TIP3 2626 18.425 15.656 -0.130 0.00 0.00 SOLV ATOM 13871 H1 TIP3 2626 18.820 15.023 0.498 0.00 0.00 SOLV ATOM 13872 H2 TIP3 2626 17.506 15.398 -0.001 0.00 0.00 SOLV ATOM 13873 OH2 TIP3 2627 17.274 1.085 -54.993 0.00 0.00 SOLV ATOM 13874 H1 TIP3 2627 16.426 1.466 -55.431 0.00 0.00 SOLV ATOM 13875 H2 TIP3 2627 17.872 1.835 -54.964 0.00 0.00 SOLV ATOM 13876 OH2 TIP3 2628 18.948 15.145 -49.905 0.00 0.00 SOLV ATOM 13877 H1 TIP3 2628 19.154 14.241 -50.077 0.00 0.00 SOLV ATOM 13878 H2 TIP3 2628 18.944 15.114 -48.914 0.00 0.00 SOLV ATOM 13879 OH2 TIP3 2629 16.569 1.044 -40.022 0.00 0.00 SOLV ATOM 13880 H1 TIP3 2629 17.406 0.525 -39.817 0.00 0.00 SOLV ATOM 13881 H2 TIP3 2629 16.853 1.686 -40.678 0.00 0.00 SOLV ATOM 13882 OH2 TIP3 2630 -6.818 23.226 9.433 0.00 0.00 SOLV ATOM 13883 H1 TIP3 2630 -7.624 23.716 9.211 0.00 0.00 SOLV ATOM 13884 H2 TIP3 2630 -6.991 22.350 8.990 0.00 0.00 SOLV ATOM 13885 OH2 TIP3 2631 -26.341 11.404 3.570 0.00 0.00 SOLV ATOM 13886 H1 TIP3 2631 -27.045 11.108 4.142 0.00 0.00 SOLV ATOM 13887 H2 TIP3 2631 -26.670 12.318 3.476 0.00 0.00 SOLV ATOM 13888 OH2 TIP3 2632 7.977 -7.197 -37.742 0.00 0.00 SOLV ATOM 13889 H1 TIP3 2632 8.460 -7.401 -36.950 0.00 0.00 SOLV ATOM 13890 H2 TIP3 2632 8.516 -6.566 -38.179 0.00 0.00 SOLV ATOM 13891 OH2 TIP3 2633 18.763 10.099 4.448 0.00 0.00 SOLV ATOM 13892 H1 TIP3 2633 18.861 10.023 3.487 0.00 0.00 SOLV ATOM 13893 H2 TIP3 2633 17.812 10.036 4.593 0.00 0.00 SOLV ATOM 13894 OH2 TIP3 2634 3.321 -4.587 -8.210 0.00 0.00 SOLV ATOM 13895 H1 TIP3 2634 3.402 -5.449 -7.820 0.00 0.00 SOLV ATOM 13896 H2 TIP3 2634 3.865 -4.622 -9.028 0.00 0.00 SOLV ATOM 13897 OH2 TIP3 2635 12.243 -16.417 -7.729 0.00 0.00 SOLV ATOM 13898 H1 TIP3 2635 12.048 -16.542 -8.669 0.00 0.00 SOLV ATOM 13899 H2 TIP3 2635 11.390 -16.500 -7.338 0.00 0.00 SOLV ATOM 13900 OH2 TIP3 2636 -4.532 18.658 -28.089 0.00 0.00 SOLV ATOM 13901 H1 TIP3 2636 -3.583 18.719 -28.016 0.00 0.00 SOLV ATOM 13902 H2 TIP3 2636 -4.714 17.845 -28.621 0.00 0.00 SOLV ATOM 13903 OH2 TIP3 2637 13.007 -26.143 4.311 0.00 0.00 SOLV ATOM 13904 H1 TIP3 2637 12.945 -25.252 3.864 0.00 0.00 SOLV ATOM 13905 H2 TIP3 2637 13.962 -26.394 4.155 0.00 0.00 SOLV ATOM 13906 OH2 TIP3 2638 19.760 -13.683 -43.718 0.00 0.00 SOLV ATOM 13907 H1 TIP3 2638 20.250 -13.641 -42.940 0.00 0.00 SOLV ATOM 13908 H2 TIP3 2638 19.439 -12.733 -43.711 0.00 0.00 SOLV ATOM 13909 OH2 TIP3 2639 17.601 -19.070 -28.217 0.00 0.00 SOLV ATOM 13910 H1 TIP3 2639 18.297 -18.424 -28.451 0.00 0.00 SOLV ATOM 13911 H2 TIP3 2639 16.811 -18.466 -28.277 0.00 0.00 SOLV ATOM 13912 OH2 TIP3 2640 16.186 -21.198 -36.468 0.00 0.00 SOLV ATOM 13913 H1 TIP3 2640 16.001 -20.325 -36.130 0.00 0.00 SOLV ATOM 13914 H2 TIP3 2640 16.812 -21.520 -35.822 0.00 0.00 SOLV ATOM 13915 OH2 TIP3 2641 21.883 -22.743 -24.501 0.00 0.00 SOLV ATOM 13916 H1 TIP3 2641 21.149 -22.399 -23.939 0.00 0.00 SOLV ATOM 13917 H2 TIP3 2641 21.498 -22.736 -25.423 0.00 0.00 SOLV ATOM 13918 OH2 TIP3 2642 2.513 -20.969 1.154 0.00 0.00 SOLV ATOM 13919 H1 TIP3 2642 2.044 -21.231 1.999 0.00 0.00 SOLV ATOM 13920 H2 TIP3 2642 2.880 -21.798 0.823 0.00 0.00 SOLV ATOM 13921 OH2 TIP3 2643 4.103 -20.843 -32.946 0.00 0.00 SOLV ATOM 13922 H1 TIP3 2643 4.304 -20.808 -31.996 0.00 0.00 SOLV ATOM 13923 H2 TIP3 2643 4.575 -20.030 -33.239 0.00 0.00 SOLV ATOM 13924 OH2 TIP3 2644 22.893 -12.734 -12.029 0.00 0.00 SOLV ATOM 13925 H1 TIP3 2644 22.023 -12.711 -11.600 0.00 0.00 SOLV ATOM 13926 H2 TIP3 2644 23.085 -11.796 -12.249 0.00 0.00 SOLV ATOM 13927 OH2 TIP3 2645 22.427 -19.778 -24.085 0.00 0.00 SOLV ATOM 13928 H1 TIP3 2645 21.518 -20.005 -23.928 0.00 0.00 SOLV ATOM 13929 H2 TIP3 2645 22.929 -20.357 -23.501 0.00 0.00 SOLV ATOM 13930 OH2 TIP3 2646 15.481 -19.677 -11.452 0.00 0.00 SOLV ATOM 13931 H1 TIP3 2646 15.232 -19.579 -12.431 0.00 0.00 SOLV ATOM 13932 H2 TIP3 2646 14.916 -18.984 -11.077 0.00 0.00 SOLV ATOM 13933 OH2 TIP3 2647 9.427 -20.320 -9.366 0.00 0.00 SOLV ATOM 13934 H1 TIP3 2647 9.491 -21.265 -9.319 0.00 0.00 SOLV ATOM 13935 H2 TIP3 2647 8.481 -20.253 -9.222 0.00 0.00 SOLV ATOM 13936 OH2 TIP3 2648 22.103 -10.102 -41.933 0.00 0.00 SOLV ATOM 13937 H1 TIP3 2648 22.412 -10.137 -41.000 0.00 0.00 SOLV ATOM 13938 H2 TIP3 2648 22.126 -9.110 -42.039 0.00 0.00 SOLV ATOM 13939 OH2 TIP3 2649 12.075 -3.073 -43.053 0.00 0.00 SOLV ATOM 13940 H1 TIP3 2649 12.493 -2.558 -43.755 0.00 0.00 SOLV ATOM 13941 H2 TIP3 2649 11.117 -3.280 -43.384 0.00 0.00 SOLV ATOM 13942 OH2 TIP3 2650 -2.443 -22.085 -15.489 0.00 0.00 SOLV ATOM 13943 H1 TIP3 2650 -2.722 -21.904 -14.617 0.00 0.00 SOLV ATOM 13944 H2 TIP3 2650 -1.742 -22.709 -15.275 0.00 0.00 SOLV ATOM 13945 OH2 TIP3 2651 4.724 -10.013 10.002 0.00 0.00 SOLV ATOM 13946 H1 TIP3 2651 4.357 -10.841 10.331 0.00 0.00 SOLV ATOM 13947 H2 TIP3 2651 4.827 -9.492 10.834 0.00 0.00 SOLV ATOM 13948 OH2 TIP3 2652 22.044 -13.310 0.401 0.00 0.00 SOLV ATOM 13949 H1 TIP3 2652 21.998 -12.321 0.286 0.00 0.00 SOLV ATOM 13950 H2 TIP3 2652 22.079 -13.709 -0.443 0.00 0.00 SOLV ATOM 13951 OH2 TIP3 2653 -2.945 -17.840 -10.959 0.00 0.00 SOLV ATOM 13952 H1 TIP3 2653 -3.477 -17.803 -11.803 0.00 0.00 SOLV ATOM 13953 H2 TIP3 2653 -3.147 -18.726 -10.613 0.00 0.00 SOLV ATOM 13954 OH2 TIP3 2654 3.253 -21.553 -27.909 0.00 0.00 SOLV ATOM 13955 H1 TIP3 2654 3.016 -20.755 -27.481 0.00 0.00 SOLV ATOM 13956 H2 TIP3 2654 2.422 -21.806 -28.266 0.00 0.00 SOLV ATOM 13957 OH2 TIP3 2655 23.413 -13.770 -14.690 0.00 0.00 SOLV ATOM 13958 H1 TIP3 2655 23.177 -12.869 -14.970 0.00 0.00 SOLV ATOM 13959 H2 TIP3 2655 23.426 -13.642 -13.733 0.00 0.00 SOLV ATOM 13960 OH2 TIP3 2656 6.134 -22.297 -17.355 0.00 0.00 SOLV ATOM 13961 H1 TIP3 2656 5.369 -22.759 -17.685 0.00 0.00 SOLV ATOM 13962 H2 TIP3 2656 6.872 -22.717 -17.791 0.00 0.00 SOLV ATOM 13963 OH2 TIP3 2657 18.477 -16.900 -6.557 0.00 0.00 SOLV ATOM 13964 H1 TIP3 2657 17.868 -17.199 -5.873 0.00 0.00 SOLV ATOM 13965 H2 TIP3 2657 19.154 -16.442 -6.000 0.00 0.00 SOLV ATOM 13966 OH2 TIP3 2658 17.114 -14.783 -4.527 0.00 0.00 SOLV ATOM 13967 H1 TIP3 2658 17.179 -15.730 -4.593 0.00 0.00 SOLV ATOM 13968 H2 TIP3 2658 17.002 -14.771 -3.543 0.00 0.00 SOLV ATOM 13969 OH2 TIP3 2659 5.984 22.046 1.639 0.00 0.00 SOLV ATOM 13970 H1 TIP3 2659 5.631 22.589 0.842 0.00 0.00 SOLV ATOM 13971 H2 TIP3 2659 6.545 22.720 2.112 0.00 0.00 SOLV ATOM 13972 OH2 TIP3 2660 16.125 -5.892 -49.667 0.00 0.00 SOLV ATOM 13973 H1 TIP3 2660 15.247 -5.962 -49.989 0.00 0.00 SOLV ATOM 13974 H2 TIP3 2660 16.051 -5.803 -48.693 0.00 0.00 SOLV ATOM 13975 OH2 TIP3 2661 20.248 -11.034 -17.707 0.00 0.00 SOLV ATOM 13976 H1 TIP3 2661 19.644 -11.310 -18.477 0.00 0.00 SOLV ATOM 13977 H2 TIP3 2661 20.908 -10.547 -18.225 0.00 0.00 SOLV ATOM 13978 OH2 TIP3 2662 -10.042 -3.936 -36.906 0.00 0.00 SOLV ATOM 13979 H1 TIP3 2662 -9.838 -4.364 -36.068 0.00 0.00 SOLV ATOM 13980 H2 TIP3 2662 -10.406 -4.662 -37.346 0.00 0.00 SOLV ATOM 13981 OH2 TIP3 2663 19.781 -19.207 -32.997 0.00 0.00 SOLV ATOM 13982 H1 TIP3 2663 19.978 -19.296 -32.105 0.00 0.00 SOLV ATOM 13983 H2 TIP3 2663 19.625 -18.256 -33.088 0.00 0.00 SOLV ATOM 13984 OH2 TIP3 2664 12.796 -16.108 -23.818 0.00 0.00 SOLV ATOM 13985 H1 TIP3 2664 12.558 -15.386 -23.266 0.00 0.00 SOLV ATOM 13986 H2 TIP3 2664 13.543 -15.674 -24.300 0.00 0.00 SOLV ATOM 13987 OH2 TIP3 2665 23.964 -9.618 -1.786 0.00 0.00 SOLV ATOM 13988 H1 TIP3 2665 23.900 -9.823 -2.719 0.00 0.00 SOLV ATOM 13989 H2 TIP3 2665 24.156 -10.486 -1.364 0.00 0.00 SOLV ATOM 13990 OH2 TIP3 2666 19.089 -11.754 -8.255 0.00 0.00 SOLV ATOM 13991 H1 TIP3 2666 18.807 -11.581 -7.285 0.00 0.00 SOLV ATOM 13992 H2 TIP3 2666 20.001 -11.641 -8.327 0.00 0.00 SOLV ATOM 13993 OH2 TIP3 2667 20.894 -10.102 -11.774 0.00 0.00 SOLV ATOM 13994 H1 TIP3 2667 20.100 -9.581 -11.673 0.00 0.00 SOLV ATOM 13995 H2 TIP3 2667 20.658 -10.897 -11.317 0.00 0.00 SOLV ATOM 13996 OH2 TIP3 2668 17.510 -7.281 7.226 0.00 0.00 SOLV ATOM 13997 H1 TIP3 2668 17.373 -7.450 8.221 0.00 0.00 SOLV ATOM 13998 H2 TIP3 2668 16.639 -6.871 6.969 0.00 0.00 SOLV ATOM 13999 OH2 TIP3 2669 12.132 -12.814 4.421 0.00 0.00 SOLV ATOM 14000 H1 TIP3 2669 11.323 -12.911 4.956 0.00 0.00 SOLV ATOM 14001 H2 TIP3 2669 12.483 -11.894 4.673 0.00 0.00 SOLV ATOM 14002 OH2 TIP3 2670 -3.611 -16.582 1.919 0.00 0.00 SOLV ATOM 14003 H1 TIP3 2670 -3.217 -17.520 1.930 0.00 0.00 SOLV ATOM 14004 H2 TIP3 2670 -2.840 -15.973 1.825 0.00 0.00 SOLV ATOM 14005 OH2 TIP3 2671 18.646 -20.945 -26.461 0.00 0.00 SOLV ATOM 14006 H1 TIP3 2671 18.107 -21.588 -26.886 0.00 0.00 SOLV ATOM 14007 H2 TIP3 2671 18.392 -20.190 -27.036 0.00 0.00 SOLV ATOM 14008 OH2 TIP3 2672 13.276 -21.844 -34.538 0.00 0.00 SOLV ATOM 14009 H1 TIP3 2672 13.235 -22.651 -35.032 0.00 0.00 SOLV ATOM 14010 H2 TIP3 2672 13.558 -21.146 -35.221 0.00 0.00 SOLV ATOM 14011 OH2 TIP3 2673 10.889 -14.178 -37.136 0.00 0.00 SOLV ATOM 14012 H1 TIP3 2673 11.597 -14.152 -36.526 0.00 0.00 SOLV ATOM 14013 H2 TIP3 2673 11.296 -14.616 -37.876 0.00 0.00 SOLV ATOM 14014 OH2 TIP3 2674 18.587 -15.730 -38.473 0.00 0.00 SOLV ATOM 14015 H1 TIP3 2674 18.910 -16.579 -38.828 0.00 0.00 SOLV ATOM 14016 H2 TIP3 2674 18.144 -15.347 -39.278 0.00 0.00 SOLV ATOM 14017 OH2 TIP3 2675 11.937 -1.446 -40.681 0.00 0.00 SOLV ATOM 14018 H1 TIP3 2675 12.784 -0.930 -40.704 0.00 0.00 SOLV ATOM 14019 H2 TIP3 2675 11.966 -1.989 -41.487 0.00 0.00 SOLV ATOM 14020 OH2 TIP3 2676 19.237 -16.693 -28.639 0.00 0.00 SOLV ATOM 14021 H1 TIP3 2676 19.503 -15.777 -28.609 0.00 0.00 SOLV ATOM 14022 H2 TIP3 2676 20.038 -17.173 -28.901 0.00 0.00 SOLV ATOM 14023 OH2 TIP3 2677 -1.839 -21.078 -18.035 0.00 0.00 SOLV ATOM 14024 H1 TIP3 2677 -2.143 -21.384 -17.157 0.00 0.00 SOLV ATOM 14025 H2 TIP3 2677 -1.357 -21.846 -18.319 0.00 0.00 SOLV ATOM 14026 OH2 TIP3 2678 26.039 11.546 -34.815 0.00 0.00 SOLV ATOM 14027 H1 TIP3 2678 26.392 11.603 -33.904 0.00 0.00 SOLV ATOM 14028 H2 TIP3 2678 25.366 12.299 -34.855 0.00 0.00 SOLV ATOM 14029 OH2 TIP3 2679 15.825 -3.588 -2.440 0.00 0.00 SOLV ATOM 14030 H1 TIP3 2679 14.840 -3.654 -2.214 0.00 0.00 SOLV ATOM 14031 H2 TIP3 2679 16.047 -4.202 -3.111 0.00 0.00 SOLV ATOM 14032 OH2 TIP3 2680 13.454 -6.478 -45.767 0.00 0.00 SOLV ATOM 14033 H1 TIP3 2680 13.048 -7.230 -46.318 0.00 0.00 SOLV ATOM 14034 H2 TIP3 2680 13.955 -6.990 -45.085 0.00 0.00 SOLV ATOM 14035 OH2 TIP3 2681 12.741 -1.823 -45.507 0.00 0.00 SOLV ATOM 14036 H1 TIP3 2681 13.594 -1.623 -45.911 0.00 0.00 SOLV ATOM 14037 H2 TIP3 2681 12.265 -0.975 -45.433 0.00 0.00 SOLV ATOM 14038 OH2 TIP3 2682 20.425 -19.856 -29.983 0.00 0.00 SOLV ATOM 14039 H1 TIP3 2682 20.895 -18.989 -30.074 0.00 0.00 SOLV ATOM 14040 H2 TIP3 2682 20.466 -19.987 -28.984 0.00 0.00 SOLV ATOM 14041 OH2 TIP3 2683 5.925 -5.089 -37.767 0.00 0.00 SOLV ATOM 14042 H1 TIP3 2683 6.076 -5.933 -38.154 0.00 0.00 SOLV ATOM 14043 H2 TIP3 2683 5.523 -5.280 -36.915 0.00 0.00 SOLV ATOM 14044 OH2 TIP3 2684 2.418 -4.617 -4.472 0.00 0.00 SOLV ATOM 14045 H1 TIP3 2684 1.633 -4.302 -4.990 0.00 0.00 SOLV ATOM 14046 H2 TIP3 2684 3.091 -3.933 -4.594 0.00 0.00 SOLV ATOM 14047 OH2 TIP3 2685 11.619 -20.196 -20.589 0.00 0.00 SOLV ATOM 14048 H1 TIP3 2685 11.496 -19.968 -21.548 0.00 0.00 SOLV ATOM 14049 H2 TIP3 2685 12.453 -20.706 -20.691 0.00 0.00 SOLV ATOM 14050 OH2 TIP3 2686 22.014 7.655 -7.251 0.00 0.00 SOLV ATOM 14051 H1 TIP3 2686 21.719 8.025 -8.058 0.00 0.00 SOLV ATOM 14052 H2 TIP3 2686 22.185 6.730 -7.485 0.00 0.00 SOLV ATOM 14053 OH2 TIP3 2687 14.993 -19.140 -8.143 0.00 0.00 SOLV ATOM 14054 H1 TIP3 2687 14.628 -19.510 -8.975 0.00 0.00 SOLV ATOM 14055 H2 TIP3 2687 15.873 -18.724 -8.437 0.00 0.00 SOLV ATOM 14056 OH2 TIP3 2688 12.926 -16.146 0.110 0.00 0.00 SOLV ATOM 14057 H1 TIP3 2688 12.574 -16.810 0.691 0.00 0.00 SOLV ATOM 14058 H2 TIP3 2688 12.162 -15.729 -0.271 0.00 0.00 SOLV ATOM 14059 OH2 TIP3 2689 6.473 -4.922 -1.269 0.00 0.00 SOLV ATOM 14060 H1 TIP3 2689 6.604 -4.340 -0.499 0.00 0.00 SOLV ATOM 14061 H2 TIP3 2689 7.326 -5.202 -1.515 0.00 0.00 SOLV ATOM 14062 OH2 TIP3 2690 22.081 -14.695 -41.837 0.00 0.00 SOLV ATOM 14063 H1 TIP3 2690 22.833 -14.043 -41.844 0.00 0.00 SOLV ATOM 14064 H2 TIP3 2690 21.399 -14.081 -41.490 0.00 0.00 SOLV ATOM 14065 OH2 TIP3 2691 23.789 12.548 -45.553 0.00 0.00 SOLV ATOM 14066 H1 TIP3 2691 22.921 12.712 -45.958 0.00 0.00 SOLV ATOM 14067 H2 TIP3 2691 24.436 12.669 -46.274 0.00 0.00 SOLV ATOM 14068 OH2 TIP3 2692 13.463 6.058 -48.754 0.00 0.00 SOLV ATOM 14069 H1 TIP3 2692 13.609 5.602 -47.892 0.00 0.00 SOLV ATOM 14070 H2 TIP3 2692 13.698 6.989 -48.581 0.00 0.00 SOLV ATOM 14071 OH2 TIP3 2693 32.825 18.963 -19.696 0.00 0.00 SOLV ATOM 14072 H1 TIP3 2693 33.216 19.765 -19.958 0.00 0.00 SOLV ATOM 14073 H2 TIP3 2693 31.942 19.204 -19.470 0.00 0.00 SOLV ATOM 14074 OH2 TIP3 2694 1.584 11.014 -37.109 0.00 0.00 SOLV ATOM 14075 H1 TIP3 2694 2.429 10.492 -37.230 0.00 0.00 SOLV ATOM 14076 H2 TIP3 2694 1.575 11.176 -36.172 0.00 0.00 SOLV ATOM 14077 OH2 TIP3 2695 5.813 23.773 -0.523 0.00 0.00 SOLV ATOM 14078 H1 TIP3 2695 5.524 24.660 -0.439 0.00 0.00 SOLV ATOM 14079 H2 TIP3 2695 5.711 23.702 -1.503 0.00 0.00 SOLV ATOM 14080 OH2 TIP3 2696 19.811 1.479 -2.490 0.00 0.00 SOLV ATOM 14081 H1 TIP3 2696 20.316 1.869 -3.252 0.00 0.00 SOLV ATOM 14082 H2 TIP3 2696 20.284 1.846 -1.796 0.00 0.00 SOLV ATOM 14083 OH2 TIP3 2697 16.525 -13.030 2.955 0.00 0.00 SOLV ATOM 14084 H1 TIP3 2697 17.026 -13.842 3.020 0.00 0.00 SOLV ATOM 14085 H2 TIP3 2697 17.004 -12.647 2.204 0.00 0.00 SOLV ATOM 14086 OH2 TIP3 2698 -34.499 -4.437 3.638 0.00 0.00 SOLV ATOM 14087 H1 TIP3 2698 -34.596 -3.606 3.242 0.00 0.00 SOLV ATOM 14088 H2 TIP3 2698 -34.115 -4.969 2.899 0.00 0.00 SOLV ATOM 14089 OH2 TIP3 2699 19.054 -12.687 5.846 0.00 0.00 SOLV ATOM 14090 H1 TIP3 2699 19.174 -12.085 5.089 0.00 0.00 SOLV ATOM 14091 H2 TIP3 2699 19.694 -13.439 5.750 0.00 0.00 SOLV ATOM 14092 OH2 TIP3 2700 12.225 -9.459 -49.812 0.00 0.00 SOLV ATOM 14093 H1 TIP3 2700 11.378 -9.867 -49.617 0.00 0.00 SOLV ATOM 14094 H2 TIP3 2700 12.164 -8.678 -49.232 0.00 0.00 SOLV ATOM 14095 OH2 TIP3 2701 -4.395 12.539 -31.954 0.00 0.00 SOLV ATOM 14096 H1 TIP3 2701 -4.701 11.713 -31.494 0.00 0.00 SOLV ATOM 14097 H2 TIP3 2701 -5.032 12.702 -32.686 0.00 0.00 SOLV ATOM 14098 OH2 TIP3 2702 19.420 -7.599 -43.487 0.00 0.00 SOLV ATOM 14099 H1 TIP3 2702 20.329 -7.832 -43.260 0.00 0.00 SOLV ATOM 14100 H2 TIP3 2702 19.012 -7.242 -42.645 0.00 0.00 SOLV ATOM 14101 OH2 TIP3 2703 22.168 -7.282 -42.219 0.00 0.00 SOLV ATOM 14102 H1 TIP3 2703 22.943 -6.809 -42.654 0.00 0.00 SOLV ATOM 14103 H2 TIP3 2703 22.112 -6.911 -41.330 0.00 0.00 SOLV ATOM 14104 OH2 TIP3 2704 4.015 -4.124 -35.445 0.00 0.00 SOLV ATOM 14105 H1 TIP3 2704 3.751 -5.077 -35.285 0.00 0.00 SOLV ATOM 14106 H2 TIP3 2704 3.538 -3.719 -34.739 0.00 0.00 SOLV ATOM 14107 OH2 TIP3 2705 23.814 4.163 6.981 0.00 0.00 SOLV ATOM 14108 H1 TIP3 2705 24.021 4.123 7.856 0.00 0.00 SOLV ATOM 14109 H2 TIP3 2705 24.687 4.475 6.547 0.00 0.00 SOLV ATOM 14110 OH2 TIP3 2706 18.026 -7.149 -13.811 0.00 0.00 SOLV ATOM 14111 H1 TIP3 2706 17.212 -7.736 -13.607 0.00 0.00 SOLV ATOM 14112 H2 TIP3 2706 18.449 -7.445 -14.612 0.00 0.00 SOLV ATOM 14113 OH2 TIP3 2707 20.348 7.655 -51.046 0.00 0.00 SOLV ATOM 14114 H1 TIP3 2707 20.515 6.789 -51.327 0.00 0.00 SOLV ATOM 14115 H2 TIP3 2707 19.649 7.906 -51.693 0.00 0.00 SOLV ATOM 14116 OH2 TIP3 2708 18.698 3.564 -55.440 0.00 0.00 SOLV ATOM 14117 H1 TIP3 2708 18.815 3.653 -56.418 0.00 0.00 SOLV ATOM 14118 H2 TIP3 2708 19.556 3.219 -55.132 0.00 0.00 SOLV ATOM 14119 OH2 TIP3 2709 17.971 6.538 -55.394 0.00 0.00 SOLV ATOM 14120 H1 TIP3 2709 17.380 6.760 -56.151 0.00 0.00 SOLV ATOM 14121 H2 TIP3 2709 18.428 5.702 -55.749 0.00 0.00 SOLV ATOM 14122 OH2 TIP3 2710 19.466 -13.362 -4.194 0.00 0.00 SOLV ATOM 14123 H1 TIP3 2710 18.605 -13.742 -4.376 0.00 0.00 SOLV ATOM 14124 H2 TIP3 2710 19.496 -12.744 -4.941 0.00 0.00 SOLV ATOM 14125 OH2 TIP3 2711 28.041 10.154 -38.192 0.00 0.00 SOLV ATOM 14126 H1 TIP3 2711 27.278 9.610 -38.241 0.00 0.00 SOLV ATOM 14127 H2 TIP3 2711 27.698 11.073 -38.247 0.00 0.00 SOLV ATOM 14128 OH2 TIP3 2712 -20.985 13.043 -8.080 0.00 0.00 SOLV ATOM 14129 H1 TIP3 2712 -20.956 12.308 -7.425 0.00 0.00 SOLV ATOM 14130 H2 TIP3 2712 -21.131 13.803 -7.515 0.00 0.00 SOLV ATOM 14131 OH2 TIP3 2713 7.799 -8.883 4.762 0.00 0.00 SOLV ATOM 14132 H1 TIP3 2713 7.905 -8.114 5.329 0.00 0.00 SOLV ATOM 14133 H2 TIP3 2713 8.658 -9.321 4.761 0.00 0.00 SOLV ATOM 14134 OH2 TIP3 2714 20.055 8.414 -55.975 0.00 0.00 SOLV ATOM 14135 H1 TIP3 2714 19.877 9.116 -55.339 0.00 0.00 SOLV ATOM 14136 H2 TIP3 2714 19.629 7.688 -55.527 0.00 0.00 SOLV ATOM 14137 OH2 TIP3 2715 4.364 4.203 -38.872 0.00 0.00 SOLV ATOM 14138 H1 TIP3 2715 5.302 3.808 -38.960 0.00 0.00 SOLV ATOM 14139 H2 TIP3 2715 4.210 4.393 -37.927 0.00 0.00 SOLV ATOM 14140 OH2 TIP3 2716 20.254 5.243 -52.452 0.00 0.00 SOLV ATOM 14141 H1 TIP3 2716 19.371 4.999 -52.424 0.00 0.00 SOLV ATOM 14142 H2 TIP3 2716 20.734 4.427 -52.484 0.00 0.00 SOLV ATOM 14143 OH2 TIP3 2717 7.207 11.281 -22.617 0.00 0.00 SOLV ATOM 14144 H1 TIP3 2717 7.034 10.324 -22.618 0.00 0.00 SOLV ATOM 14145 H2 TIP3 2717 7.781 11.469 -21.851 0.00 0.00 SOLV ATOM 14146 OH2 TIP3 2718 8.550 -5.599 -3.209 0.00 0.00 SOLV ATOM 14147 H1 TIP3 2718 9.208 -6.333 -3.057 0.00 0.00 SOLV ATOM 14148 H2 TIP3 2718 9.068 -4.980 -3.750 0.00 0.00 SOLV ATOM 14149 OH2 TIP3 2719 1.723 4.959 1.615 0.00 0.00 SOLV ATOM 14150 H1 TIP3 2719 0.863 5.473 1.686 0.00 0.00 SOLV ATOM 14151 H2 TIP3 2719 1.892 4.932 0.632 0.00 0.00 SOLV ATOM 14152 OH2 TIP3 2720 12.081 -6.663 -4.583 0.00 0.00 SOLV ATOM 14153 H1 TIP3 2720 12.974 -6.300 -4.436 0.00 0.00 SOLV ATOM 14154 H2 TIP3 2720 11.670 -5.958 -5.128 0.00 0.00 SOLV ATOM 14155 OH2 TIP3 2721 30.346 18.564 -34.813 0.00 0.00 SOLV ATOM 14156 H1 TIP3 2721 30.259 19.537 -34.518 0.00 0.00 SOLV ATOM 14157 H2 TIP3 2721 31.235 18.387 -34.639 0.00 0.00 SOLV ATOM 14158 OH2 TIP3 2722 22.991 -1.718 2.399 0.00 0.00 SOLV ATOM 14159 H1 TIP3 2722 23.313 -1.529 1.473 0.00 0.00 SOLV ATOM 14160 H2 TIP3 2722 22.195 -1.178 2.404 0.00 0.00 SOLV ATOM 14161 OH2 TIP3 2723 15.983 0.490 3.953 0.00 0.00 SOLV ATOM 14162 H1 TIP3 2723 15.446 0.281 3.176 0.00 0.00 SOLV ATOM 14163 H2 TIP3 2723 15.465 0.130 4.708 0.00 0.00 SOLV ATOM 14164 OH2 TIP3 2724 11.085 5.152 -45.380 0.00 0.00 SOLV ATOM 14165 H1 TIP3 2724 11.650 4.552 -44.847 0.00 0.00 SOLV ATOM 14166 H2 TIP3 2724 10.240 4.785 -45.286 0.00 0.00 SOLV ATOM 14167 OH2 TIP3 2725 10.204 0.397 -54.770 0.00 0.00 SOLV ATOM 14168 H1 TIP3 2725 9.229 0.434 -54.534 0.00 0.00 SOLV ATOM 14169 H2 TIP3 2725 10.590 0.479 -53.957 0.00 0.00 SOLV ATOM 14170 OH2 TIP3 2726 12.388 9.157 -38.948 0.00 0.00 SOLV ATOM 14171 H1 TIP3 2726 12.221 10.085 -38.762 0.00 0.00 SOLV ATOM 14172 H2 TIP3 2726 12.481 8.717 -38.110 0.00 0.00 SOLV ATOM 14173 OH2 TIP3 2727 21.854 -0.593 -46.347 0.00 0.00 SOLV ATOM 14174 H1 TIP3 2727 22.631 -1.126 -46.339 0.00 0.00 SOLV ATOM 14175 H2 TIP3 2727 21.192 -1.149 -46.757 0.00 0.00 SOLV ATOM 14176 OH2 TIP3 2728 23.061 16.359 -37.891 0.00 0.00 SOLV ATOM 14177 H1 TIP3 2728 23.197 16.693 -38.820 0.00 0.00 SOLV ATOM 14178 H2 TIP3 2728 23.892 16.595 -37.445 0.00 0.00 SOLV ATOM 14179 OH2 TIP3 2729 15.293 15.778 -45.651 0.00 0.00 SOLV ATOM 14180 H1 TIP3 2729 15.170 15.933 -44.676 0.00 0.00 SOLV ATOM 14181 H2 TIP3 2729 14.396 15.556 -45.938 0.00 0.00 SOLV ATOM 14182 OH2 TIP3 2730 1.864 2.444 -47.474 0.00 0.00 SOLV ATOM 14183 H1 TIP3 2730 0.928 2.384 -47.658 0.00 0.00 SOLV ATOM 14184 H2 TIP3 2730 2.106 3.253 -47.980 0.00 0.00 SOLV ATOM 14185 OH2 TIP3 2731 5.224 17.905 -21.076 0.00 0.00 SOLV ATOM 14186 H1 TIP3 2731 5.248 16.995 -21.312 0.00 0.00 SOLV ATOM 14187 H2 TIP3 2731 5.726 17.907 -20.260 0.00 0.00 SOLV ATOM 14188 OH2 TIP3 2732 29.689 -3.095 -30.811 0.00 0.00 SOLV ATOM 14189 H1 TIP3 2732 29.936 -4.039 -31.010 0.00 0.00 SOLV ATOM 14190 H2 TIP3 2732 29.346 -3.126 -29.868 0.00 0.00 SOLV ATOM 14191 OH2 TIP3 2733 14.334 0.925 -0.393 0.00 0.00 SOLV ATOM 14192 H1 TIP3 2733 14.721 0.206 -0.932 0.00 0.00 SOLV ATOM 14193 H2 TIP3 2733 14.699 0.733 0.513 0.00 0.00 SOLV ATOM 14194 OH2 TIP3 2734 -32.159 -1.379 -8.551 0.00 0.00 SOLV ATOM 14195 H1 TIP3 2734 -32.904 -1.984 -8.679 0.00 0.00 SOLV ATOM 14196 H2 TIP3 2734 -31.582 -1.753 -9.235 0.00 0.00 SOLV ATOM 14197 OH2 TIP3 2735 9.295 0.936 3.850 0.00 0.00 SOLV ATOM 14198 H1 TIP3 2735 9.779 1.594 4.406 0.00 0.00 SOLV ATOM 14199 H2 TIP3 2735 8.498 0.805 4.334 0.00 0.00 SOLV ATOM 14200 OH2 TIP3 2736 30.055 7.113 -20.003 0.00 0.00 SOLV ATOM 14201 H1 TIP3 2736 29.758 7.088 -20.899 0.00 0.00 SOLV ATOM 14202 H2 TIP3 2736 30.174 7.999 -19.810 0.00 0.00 SOLV ATOM 14203 OH2 TIP3 2737 19.701 -3.775 -44.752 0.00 0.00 SOLV ATOM 14204 H1 TIP3 2737 20.045 -3.427 -45.593 0.00 0.00 SOLV ATOM 14205 H2 TIP3 2737 18.912 -3.208 -44.567 0.00 0.00 SOLV ATOM 14206 OH2 TIP3 2738 -26.441 -10.260 -6.764 0.00 0.00 SOLV ATOM 14207 H1 TIP3 2738 -25.951 -9.585 -6.227 0.00 0.00 SOLV ATOM 14208 H2 TIP3 2738 -26.996 -9.799 -7.387 0.00 0.00 SOLV ATOM 14209 OH2 TIP3 2739 22.081 15.588 -7.061 0.00 0.00 SOLV ATOM 14210 H1 TIP3 2739 22.289 16.207 -7.699 0.00 0.00 SOLV ATOM 14211 H2 TIP3 2739 21.677 16.197 -6.408 0.00 0.00 SOLV ATOM 14212 OH2 TIP3 2740 20.090 -1.800 -10.061 0.00 0.00 SOLV ATOM 14213 H1 TIP3 2740 19.405 -1.874 -9.390 0.00 0.00 SOLV ATOM 14214 H2 TIP3 2740 20.476 -0.947 -9.972 0.00 0.00 SOLV ATOM 14215 OH2 TIP3 2741 9.929 0.799 -14.680 0.00 0.00 SOLV ATOM 14216 H1 TIP3 2741 10.323 -0.098 -14.562 0.00 0.00 SOLV ATOM 14217 H2 TIP3 2741 10.000 1.210 -13.757 0.00 0.00 SOLV ATOM 14218 OH2 TIP3 2742 24.192 14.134 -52.208 0.00 0.00 SOLV ATOM 14219 H1 TIP3 2742 24.088 15.132 -52.137 0.00 0.00 SOLV ATOM 14220 H2 TIP3 2742 24.942 13.964 -51.696 0.00 0.00 SOLV ATOM 14221 OH2 TIP3 2743 -8.392 -33.174 29.827 0.00 0.00 SOLV ATOM 14222 H1 TIP3 2743 -8.072 -32.392 29.337 0.00 0.00 SOLV ATOM 14223 H2 TIP3 2743 -7.529 -33.628 29.994 0.00 0.00 SOLV ATOM 14224 OH2 TIP3 2744 17.659 7.073 -49.734 0.00 0.00 SOLV ATOM 14225 H1 TIP3 2744 17.336 6.430 -50.323 0.00 0.00 SOLV ATOM 14226 H2 TIP3 2744 18.487 7.190 -50.083 0.00 0.00 SOLV ATOM 14227 OH2 TIP3 2745 23.432 6.282 -50.914 0.00 0.00 SOLV ATOM 14228 H1 TIP3 2745 22.679 5.863 -50.537 0.00 0.00 SOLV ATOM 14229 H2 TIP3 2745 23.106 7.059 -51.267 0.00 0.00 SOLV ATOM 14230 OH2 TIP3 2746 -19.089 3.733 -17.883 0.00 0.00 SOLV ATOM 14231 H1 TIP3 2746 -19.656 3.612 -18.715 0.00 0.00 SOLV ATOM 14232 H2 TIP3 2746 -19.602 3.320 -17.205 0.00 0.00 SOLV ATOM 14233 OH2 TIP3 2747 20.811 0.024 -50.206 0.00 0.00 SOLV ATOM 14234 H1 TIP3 2747 20.047 -0.598 -50.178 0.00 0.00 SOLV ATOM 14235 H2 TIP3 2747 21.521 -0.544 -50.082 0.00 0.00 SOLV ATOM 14236 OH2 TIP3 2748 14.399 12.490 -51.474 0.00 0.00 SOLV ATOM 14237 H1 TIP3 2748 13.935 13.287 -51.657 0.00 0.00 SOLV ATOM 14238 H2 TIP3 2748 13.700 11.825 -51.360 0.00 0.00 SOLV ATOM 14239 OH2 TIP3 2749 1.132 2.846 -35.056 0.00 0.00 SOLV ATOM 14240 H1 TIP3 2749 0.179 3.124 -35.204 0.00 0.00 SOLV ATOM 14241 H2 TIP3 2749 1.351 3.609 -34.446 0.00 0.00 SOLV ATOM 14242 OH2 TIP3 2750 6.678 3.816 -9.143 0.00 0.00 SOLV ATOM 14243 H1 TIP3 2750 6.186 4.105 -8.353 0.00 0.00 SOLV ATOM 14244 H2 TIP3 2750 6.961 2.900 -8.985 0.00 0.00 SOLV ATOM 14245 OH2 TIP3 2751 8.992 0.862 -47.080 0.00 0.00 SOLV ATOM 14246 H1 TIP3 2751 8.141 0.478 -47.043 0.00 0.00 SOLV ATOM 14247 H2 TIP3 2751 8.985 1.339 -46.248 0.00 0.00 SOLV ATOM 14248 OH2 TIP3 2752 6.159 15.210 9.228 0.00 0.00 SOLV ATOM 14249 H1 TIP3 2752 6.386 14.477 9.858 0.00 0.00 SOLV ATOM 14250 H2 TIP3 2752 6.707 15.943 9.528 0.00 0.00 SOLV ATOM 14251 OH2 TIP3 2753 -23.431 9.026 -20.088 0.00 0.00 SOLV ATOM 14252 H1 TIP3 2753 -22.770 9.424 -19.476 0.00 0.00 SOLV ATOM 14253 H2 TIP3 2753 -23.866 9.807 -20.526 0.00 0.00 SOLV ATOM 14254 OH2 TIP3 2754 18.600 15.483 -47.140 0.00 0.00 SOLV ATOM 14255 H1 TIP3 2754 17.890 15.141 -46.529 0.00 0.00 SOLV ATOM 14256 H2 TIP3 2754 18.648 16.466 -46.919 0.00 0.00 SOLV ATOM 14257 OH2 TIP3 2755 11.550 7.994 -10.040 0.00 0.00 SOLV ATOM 14258 H1 TIP3 2755 10.845 7.737 -10.689 0.00 0.00 SOLV ATOM 14259 H2 TIP3 2755 11.695 8.941 -10.294 0.00 0.00 SOLV ATOM 14260 OH2 TIP3 2756 19.502 3.205 7.061 0.00 0.00 SOLV ATOM 14261 H1 TIP3 2756 20.026 3.971 7.344 0.00 0.00 SOLV ATOM 14262 H2 TIP3 2756 20.042 2.436 7.287 0.00 0.00 SOLV ATOM 14263 OH2 TIP3 2757 10.859 21.259 -19.671 0.00 0.00 SOLV ATOM 14264 H1 TIP3 2757 10.898 21.197 -20.654 0.00 0.00 SOLV ATOM 14265 H2 TIP3 2757 11.336 22.079 -19.499 0.00 0.00 SOLV ATOM 14266 OH2 TIP3 2758 23.064 16.162 -46.983 0.00 0.00 SOLV ATOM 14267 H1 TIP3 2758 22.809 15.912 -46.038 0.00 0.00 SOLV ATOM 14268 H2 TIP3 2758 23.769 15.612 -47.078 0.00 0.00 SOLV ATOM 14269 OH2 TIP3 2759 27.461 5.035 -13.926 0.00 0.00 SOLV ATOM 14270 H1 TIP3 2759 27.244 5.840 -13.466 0.00 0.00 SOLV ATOM 14271 H2 TIP3 2759 27.434 4.337 -13.198 0.00 0.00 SOLV ATOM 14272 OH2 TIP3 2760 6.241 20.058 -18.018 0.00 0.00 SOLV ATOM 14273 H1 TIP3 2760 5.589 20.612 -17.544 0.00 0.00 SOLV ATOM 14274 H2 TIP3 2760 7.104 20.596 -18.049 0.00 0.00 SOLV ATOM 14275 OH2 TIP3 2761 19.696 -19.291 -24.547 0.00 0.00 SOLV ATOM 14276 H1 TIP3 2761 19.227 -19.882 -25.192 0.00 0.00 SOLV ATOM 14277 H2 TIP3 2761 19.050 -19.302 -23.802 0.00 0.00 SOLV ATOM 14278 OH2 TIP3 2762 10.862 15.280 -48.784 0.00 0.00 SOLV ATOM 14279 H1 TIP3 2762 11.001 14.789 -49.596 0.00 0.00 SOLV ATOM 14280 H2 TIP3 2762 11.704 15.744 -48.596 0.00 0.00 SOLV ATOM 14281 OH2 TIP3 2763 20.354 13.221 -47.330 0.00 0.00 SOLV ATOM 14282 H1 TIP3 2763 20.680 12.742 -46.585 0.00 0.00 SOLV ATOM 14283 H2 TIP3 2763 19.713 13.971 -47.053 0.00 0.00 SOLV ATOM 14284 OH2 TIP3 2764 16.868 13.760 -45.534 0.00 0.00 SOLV ATOM 14285 H1 TIP3 2764 16.684 13.160 -46.290 0.00 0.00 SOLV ATOM 14286 H2 TIP3 2764 16.224 14.443 -45.587 0.00 0.00 SOLV ATOM 14287 OH2 TIP3 2765 -29.285 15.832 -15.821 0.00 0.00 SOLV ATOM 14288 H1 TIP3 2765 -28.678 16.460 -15.424 0.00 0.00 SOLV ATOM 14289 H2 TIP3 2765 -29.662 15.462 -15.037 0.00 0.00 SOLV ATOM 14290 OH2 TIP3 2766 6.900 -11.250 -47.229 0.00 0.00 SOLV ATOM 14291 H1 TIP3 2766 6.481 -11.007 -48.067 0.00 0.00 SOLV ATOM 14292 H2 TIP3 2766 6.900 -10.399 -46.741 0.00 0.00 SOLV ATOM 14293 OH2 TIP3 2767 13.746 -11.131 -35.203 0.00 0.00 SOLV ATOM 14294 H1 TIP3 2767 14.339 -10.772 -35.865 0.00 0.00 SOLV ATOM 14295 H2 TIP3 2767 13.087 -11.564 -35.794 0.00 0.00 SOLV ATOM 14296 OH2 TIP3 2768 10.416 -20.190 -33.384 0.00 0.00 SOLV ATOM 14297 H1 TIP3 2768 11.175 -19.908 -32.831 0.00 0.00 SOLV ATOM 14298 H2 TIP3 2768 9.638 -19.977 -32.780 0.00 0.00 SOLV ATOM 14299 OH2 TIP3 2769 13.504 -13.981 -7.483 0.00 0.00 SOLV ATOM 14300 H1 TIP3 2769 13.193 -14.901 -7.671 0.00 0.00 SOLV ATOM 14301 H2 TIP3 2769 13.144 -13.761 -6.674 0.00 0.00 SOLV ATOM 14302 OH2 TIP3 2770 14.729 -17.422 -5.808 0.00 0.00 SOLV ATOM 14303 H1 TIP3 2770 14.871 -18.036 -6.535 0.00 0.00 SOLV ATOM 14304 H2 TIP3 2770 13.827 -17.172 -5.850 0.00 0.00 SOLV ATOM 14305 OH2 TIP3 2771 13.595 -17.767 -10.403 0.00 0.00 SOLV ATOM 14306 H1 TIP3 2771 12.721 -17.526 -10.740 0.00 0.00 SOLV ATOM 14307 H2 TIP3 2771 13.496 -18.681 -10.218 0.00 0.00 SOLV ATOM 14308 OH2 TIP3 2772 10.914 -21.280 3.232 0.00 0.00 SOLV ATOM 14309 H1 TIP3 2772 10.859 -21.119 4.173 0.00 0.00 SOLV ATOM 14310 H2 TIP3 2772 11.564 -21.992 3.244 0.00 0.00 SOLV ATOM 14311 OH2 TIP3 2773 14.476 -14.322 -42.952 0.00 0.00 SOLV ATOM 14312 H1 TIP3 2773 14.104 -13.871 -42.229 0.00 0.00 SOLV ATOM 14313 H2 TIP3 2773 14.141 -15.241 -42.739 0.00 0.00 SOLV ATOM 14314 OH2 TIP3 2774 13.924 -16.187 -37.103 0.00 0.00 SOLV ATOM 14315 H1 TIP3 2774 14.573 -16.756 -37.484 0.00 0.00 SOLV ATOM 14316 H2 TIP3 2774 13.105 -16.497 -37.510 0.00 0.00 SOLV ATOM 14317 OH2 TIP3 2775 -9.986 -8.326 -28.277 0.00 0.00 SOLV ATOM 14318 H1 TIP3 2775 -10.396 -8.568 -29.134 0.00 0.00 SOLV ATOM 14319 H2 TIP3 2775 -9.103 -8.738 -28.287 0.00 0.00 SOLV ATOM 14320 OH2 TIP3 2776 15.885 -13.016 -26.946 0.00 0.00 SOLV ATOM 14321 H1 TIP3 2776 16.550 -13.502 -27.341 0.00 0.00 SOLV ATOM 14322 H2 TIP3 2776 16.012 -12.201 -27.395 0.00 0.00 SOLV ATOM 14323 OH2 TIP3 2777 7.041 -19.070 -8.310 0.00 0.00 SOLV ATOM 14324 H1 TIP3 2777 6.763 -19.694 -7.626 0.00 0.00 SOLV ATOM 14325 H2 TIP3 2777 6.274 -18.575 -8.451 0.00 0.00 SOLV ATOM 14326 OH2 TIP3 2778 -32.768 -6.581 7.121 0.00 0.00 SOLV ATOM 14327 H1 TIP3 2778 -32.931 -6.967 8.014 0.00 0.00 SOLV ATOM 14328 H2 TIP3 2778 -31.839 -6.352 7.222 0.00 0.00 SOLV ATOM 14329 OH2 TIP3 2779 19.997 -18.657 -39.375 0.00 0.00 SOLV ATOM 14330 H1 TIP3 2779 20.978 -18.804 -39.368 0.00 0.00 SOLV ATOM 14331 H2 TIP3 2779 19.845 -18.424 -40.310 0.00 0.00 SOLV ATOM 14332 OH2 TIP3 2780 18.923 -11.045 -43.088 0.00 0.00 SOLV ATOM 14333 H1 TIP3 2780 19.167 -10.381 -42.457 0.00 0.00 SOLV ATOM 14334 H2 TIP3 2780 18.821 -10.483 -43.908 0.00 0.00 SOLV ATOM 14335 OH2 TIP3 2781 23.292 -21.708 -31.005 0.00 0.00 SOLV ATOM 14336 H1 TIP3 2781 24.118 -21.870 -31.495 0.00 0.00 SOLV ATOM 14337 H2 TIP3 2781 22.876 -21.078 -31.585 0.00 0.00 SOLV ATOM 14338 OH2 TIP3 2782 24.380 -16.703 -29.208 0.00 0.00 SOLV ATOM 14339 H1 TIP3 2782 25.124 -16.789 -29.841 0.00 0.00 SOLV ATOM 14340 H2 TIP3 2782 24.571 -17.294 -28.467 0.00 0.00 SOLV ATOM 14341 OH2 TIP3 2783 21.865 -11.043 -8.225 0.00 0.00 SOLV ATOM 14342 H1 TIP3 2783 22.622 -11.320 -8.706 0.00 0.00 SOLV ATOM 14343 H2 TIP3 2783 21.851 -10.060 -8.184 0.00 0.00 SOLV ATOM 14344 OH2 TIP3 2784 23.246 -17.862 -18.122 0.00 0.00 SOLV ATOM 14345 H1 TIP3 2784 23.248 -17.388 -18.952 0.00 0.00 SOLV ATOM 14346 H2 TIP3 2784 22.675 -17.322 -17.534 0.00 0.00 SOLV ATOM 14347 OH2 TIP3 2785 -32.394 -8.848 3.095 0.00 0.00 SOLV ATOM 14348 H1 TIP3 2785 -32.232 -8.982 4.024 0.00 0.00 SOLV ATOM 14349 H2 TIP3 2785 -31.629 -9.148 2.581 0.00 0.00 SOLV ATOM 14350 OH2 TIP3 2786 8.220 -7.712 -42.816 0.00 0.00 SOLV ATOM 14351 H1 TIP3 2786 7.534 -7.174 -43.311 0.00 0.00 SOLV ATOM 14352 H2 TIP3 2786 8.051 -8.609 -43.151 0.00 0.00 SOLV ATOM 14353 OH2 TIP3 2787 24.300 -16.595 -42.924 0.00 0.00 SOLV ATOM 14354 H1 TIP3 2787 23.721 -15.846 -42.840 0.00 0.00 SOLV ATOM 14355 H2 TIP3 2787 24.311 -16.909 -41.993 0.00 0.00 SOLV ATOM 14356 OH2 TIP3 2788 21.020 -15.017 -32.057 0.00 0.00 SOLV ATOM 14357 H1 TIP3 2788 20.269 -15.599 -32.027 0.00 0.00 SOLV ATOM 14358 H2 TIP3 2788 21.445 -15.429 -32.858 0.00 0.00 SOLV ATOM 14359 OH2 TIP3 2789 8.660 7.838 1.135 0.00 0.00 SOLV ATOM 14360 H1 TIP3 2789 9.295 7.297 0.876 0.00 0.00 SOLV ATOM 14361 H2 TIP3 2789 7.965 7.816 0.450 0.00 0.00 SOLV ATOM 14362 OH2 TIP3 2790 8.754 -19.842 -21.824 0.00 0.00 SOLV ATOM 14363 H1 TIP3 2790 9.042 -20.628 -21.460 0.00 0.00 SOLV ATOM 14364 H2 TIP3 2790 9.241 -19.874 -22.651 0.00 0.00 SOLV ATOM 14365 OH2 TIP3 2791 21.595 -13.415 -22.249 0.00 0.00 SOLV ATOM 14366 H1 TIP3 2791 22.056 -12.683 -21.847 0.00 0.00 SOLV ATOM 14367 H2 TIP3 2791 20.941 -12.945 -22.743 0.00 0.00 SOLV ATOM 14368 OH2 TIP3 2792 13.437 14.318 -31.604 0.00 0.00 SOLV ATOM 14369 H1 TIP3 2792 13.526 13.382 -31.786 0.00 0.00 SOLV ATOM 14370 H2 TIP3 2792 12.976 14.627 -32.408 0.00 0.00 SOLV ATOM 14371 OH2 TIP3 2793 18.849 -17.471 -13.091 0.00 0.00 SOLV ATOM 14372 H1 TIP3 2793 19.206 -18.191 -12.564 0.00 0.00 SOLV ATOM 14373 H2 TIP3 2793 19.548 -16.855 -12.975 0.00 0.00 SOLV ATOM 14374 OH2 TIP3 2794 16.845 -2.518 -51.406 0.00 0.00 SOLV ATOM 14375 H1 TIP3 2794 17.482 -3.211 -51.088 0.00 0.00 SOLV ATOM 14376 H2 TIP3 2794 16.976 -2.569 -52.431 0.00 0.00 SOLV ATOM 14377 OH2 TIP3 2795 22.333 -2.933 -51.294 0.00 0.00 SOLV ATOM 14378 H1 TIP3 2795 21.689 -2.860 -50.638 0.00 0.00 SOLV ATOM 14379 H2 TIP3 2795 21.897 -2.575 -52.029 0.00 0.00 SOLV ATOM 14380 OH2 TIP3 2796 16.757 -18.531 6.136 0.00 0.00 SOLV ATOM 14381 H1 TIP3 2796 17.671 -18.500 6.373 0.00 0.00 SOLV ATOM 14382 H2 TIP3 2796 16.468 -19.398 6.390 0.00 0.00 SOLV ATOM 14383 OH2 TIP3 2797 22.015 2.812 -8.566 0.00 0.00 SOLV ATOM 14384 H1 TIP3 2797 22.473 3.447 -9.136 0.00 0.00 SOLV ATOM 14385 H2 TIP3 2797 22.702 2.483 -7.995 0.00 0.00 SOLV ATOM 14386 OH2 TIP3 2798 19.890 -22.217 -31.393 0.00 0.00 SOLV ATOM 14387 H1 TIP3 2798 19.970 -21.445 -30.823 0.00 0.00 SOLV ATOM 14388 H2 TIP3 2798 20.657 -22.031 -31.960 0.00 0.00 SOLV ATOM 14389 OH2 TIP3 2799 22.104 -14.703 -26.747 0.00 0.00 SOLV ATOM 14390 H1 TIP3 2799 22.540 -15.514 -27.009 0.00 0.00 SOLV ATOM 14391 H2 TIP3 2799 21.827 -14.387 -27.578 0.00 0.00 SOLV ATOM 14392 OH2 TIP3 2800 20.689 -4.064 -7.391 0.00 0.00 SOLV ATOM 14393 H1 TIP3 2800 21.236 -3.337 -7.795 0.00 0.00 SOLV ATOM 14394 H2 TIP3 2800 20.109 -4.336 -8.153 0.00 0.00 SOLV ATOM 14395 OH2 TIP3 2801 -34.559 -7.584 0.168 0.00 0.00 SOLV ATOM 14396 H1 TIP3 2801 -35.113 -8.292 0.617 0.00 0.00 SOLV ATOM 14397 H2 TIP3 2801 -35.141 -7.151 -0.475 0.00 0.00 SOLV ATOM 14398 OH2 TIP3 2802 10.085 7.498 4.848 0.00 0.00 SOLV ATOM 14399 H1 TIP3 2802 10.306 6.680 4.371 0.00 0.00 SOLV ATOM 14400 H2 TIP3 2802 9.111 7.534 4.739 0.00 0.00 SOLV ATOM 14401 OH2 TIP3 2803 11.363 -11.896 -38.878 0.00 0.00 SOLV ATOM 14402 H1 TIP3 2803 10.908 -11.048 -38.554 0.00 0.00 SOLV ATOM 14403 H2 TIP3 2803 11.388 -12.430 -38.062 0.00 0.00 SOLV ATOM 14404 OH2 TIP3 2804 18.161 -11.537 -38.044 0.00 0.00 SOLV ATOM 14405 H1 TIP3 2804 17.713 -12.196 -38.589 0.00 0.00 SOLV ATOM 14406 H2 TIP3 2804 17.784 -10.663 -38.316 0.00 0.00 SOLV ATOM 14407 OH2 TIP3 2805 22.464 -14.808 -29.903 0.00 0.00 SOLV ATOM 14408 H1 TIP3 2805 21.988 -14.975 -30.776 0.00 0.00 SOLV ATOM 14409 H2 TIP3 2805 23.415 -14.731 -30.181 0.00 0.00 SOLV ATOM 14410 OH2 TIP3 2806 17.286 -11.591 -16.026 0.00 0.00 SOLV ATOM 14411 H1 TIP3 2806 16.866 -12.455 -15.953 0.00 0.00 SOLV ATOM 14412 H2 TIP3 2806 18.074 -11.787 -16.576 0.00 0.00 SOLV ATOM 14413 OH2 TIP3 2807 16.289 -16.181 -13.336 0.00 0.00 SOLV ATOM 14414 H1 TIP3 2807 16.302 -16.312 -14.272 0.00 0.00 SOLV ATOM 14415 H2 TIP3 2807 17.172 -16.420 -13.076 0.00 0.00 SOLV ATOM 14416 OH2 TIP3 2808 22.295 -5.779 -5.717 0.00 0.00 SOLV ATOM 14417 H1 TIP3 2808 21.731 -5.169 -6.164 0.00 0.00 SOLV ATOM 14418 H2 TIP3 2808 22.082 -5.573 -4.762 0.00 0.00 SOLV ATOM 14419 OH2 TIP3 2809 18.716 -4.238 -2.614 0.00 0.00 SOLV ATOM 14420 H1 TIP3 2809 18.909 -4.735 -1.775 0.00 0.00 SOLV ATOM 14421 H2 TIP3 2809 17.985 -3.669 -2.347 0.00 0.00 SOLV ATOM 14422 OH2 TIP3 2810 18.421 2.535 -50.542 0.00 0.00 SOLV ATOM 14423 H1 TIP3 2810 19.245 2.665 -51.006 0.00 0.00 SOLV ATOM 14424 H2 TIP3 2810 18.196 1.639 -50.753 0.00 0.00 SOLV ATOM 14425 OH2 TIP3 2811 -34.720 -4.017 -0.083 0.00 0.00 SOLV ATOM 14426 H1 TIP3 2811 -33.776 -4.330 -0.021 0.00 0.00 SOLV ATOM 14427 H2 TIP3 2811 -35.099 -4.747 -0.603 0.00 0.00 SOLV ATOM 14428 OH2 TIP3 2812 19.713 -9.889 -45.932 0.00 0.00 SOLV ATOM 14429 H1 TIP3 2812 20.143 -9.092 -46.255 0.00 0.00 SOLV ATOM 14430 H2 TIP3 2812 20.449 -10.543 -45.968 0.00 0.00 SOLV ATOM 14431 OH2 TIP3 2813 13.877 -6.240 -51.284 0.00 0.00 SOLV ATOM 14432 H1 TIP3 2813 13.869 -6.127 -52.236 0.00 0.00 SOLV ATOM 14433 H2 TIP3 2813 12.903 -6.142 -50.999 0.00 0.00 SOLV ATOM 14434 OH2 TIP3 2814 17.112 -13.052 -30.923 0.00 0.00 SOLV ATOM 14435 H1 TIP3 2814 16.550 -12.720 -31.663 0.00 0.00 SOLV ATOM 14436 H2 TIP3 2814 16.771 -13.897 -30.582 0.00 0.00 SOLV ATOM 14437 OH2 TIP3 2815 24.142 -9.734 -44.807 0.00 0.00 SOLV ATOM 14438 H1 TIP3 2815 23.272 -10.159 -44.835 0.00 0.00 SOLV ATOM 14439 H2 TIP3 2815 24.588 -10.299 -44.116 0.00 0.00 SOLV ATOM 14440 OH2 TIP3 2816 16.753 -11.125 -28.771 0.00 0.00 SOLV ATOM 14441 H1 TIP3 2816 16.337 -10.570 -29.474 0.00 0.00 SOLV ATOM 14442 H2 TIP3 2816 17.519 -11.524 -29.254 0.00 0.00 SOLV ATOM 14443 OH2 TIP3 2817 -26.433 1.103 -12.325 0.00 0.00 SOLV ATOM 14444 H1 TIP3 2817 -27.273 1.063 -12.810 0.00 0.00 SOLV ATOM 14445 H2 TIP3 2817 -26.619 1.799 -11.608 0.00 0.00 SOLV ATOM 14446 OH2 TIP3 2818 10.297 -4.953 -53.382 0.00 0.00 SOLV ATOM 14447 H1 TIP3 2818 10.715 -4.078 -53.215 0.00 0.00 SOLV ATOM 14448 H2 TIP3 2818 10.044 -5.208 -52.508 0.00 0.00 SOLV ATOM 14449 OH2 TIP3 2819 20.453 10.269 -0.864 0.00 0.00 SOLV ATOM 14450 H1 TIP3 2819 20.937 9.470 -1.070 0.00 0.00 SOLV ATOM 14451 H2 TIP3 2819 20.193 10.651 -1.708 0.00 0.00 SOLV ATOM 14452 OH2 TIP3 2820 16.126 -8.150 -5.749 0.00 0.00 SOLV ATOM 14453 H1 TIP3 2820 15.825 -7.796 -6.621 0.00 0.00 SOLV ATOM 14454 H2 TIP3 2820 15.454 -8.817 -5.553 0.00 0.00 SOLV ATOM 14455 OH2 TIP3 2821 21.739 -5.039 3.869 0.00 0.00 SOLV ATOM 14456 H1 TIP3 2821 22.456 -5.665 3.952 0.00 0.00 SOLV ATOM 14457 H2 TIP3 2821 21.420 -4.870 4.744 0.00 0.00 SOLV ATOM 14458 OH2 TIP3 2822 21.204 -4.891 1.086 0.00 0.00 SOLV ATOM 14459 H1 TIP3 2822 22.049 -5.019 0.756 0.00 0.00 SOLV ATOM 14460 H2 TIP3 2822 21.387 -4.788 2.050 0.00 0.00 SOLV ATOM 14461 OH2 TIP3 2823 -35.352 -9.654 6.501 0.00 0.00 SOLV ATOM 14462 H1 TIP3 2823 -35.086 -8.832 6.053 0.00 0.00 SOLV ATOM 14463 H2 TIP3 2823 -35.040 -10.338 5.876 0.00 0.00 SOLV ATOM 14464 OH2 TIP3 2824 -36.049 -0.556 5.891 0.00 0.00 SOLV ATOM 14465 H1 TIP3 2824 -36.308 -1.179 5.273 0.00 0.00 SOLV ATOM 14466 H2 TIP3 2824 -36.140 -1.105 6.723 0.00 0.00 SOLV ATOM 14467 OH2 TIP3 2825 -2.409 14.429 11.451 0.00 0.00 SOLV ATOM 14468 H1 TIP3 2825 -2.836 14.465 12.306 0.00 0.00 SOLV ATOM 14469 H2 TIP3 2825 -1.531 14.883 11.625 0.00 0.00 SOLV ATOM 14470 OH2 TIP3 2826 22.776 4.003 -46.589 0.00 0.00 SOLV ATOM 14471 H1 TIP3 2826 23.399 4.424 -47.241 0.00 0.00 SOLV ATOM 14472 H2 TIP3 2826 22.331 3.248 -47.097 0.00 0.00 SOLV ATOM 14473 OH2 TIP3 2827 21.669 -5.306 -49.442 0.00 0.00 SOLV ATOM 14474 H1 TIP3 2827 20.995 -5.869 -49.032 0.00 0.00 SOLV ATOM 14475 H2 TIP3 2827 22.260 -5.168 -48.698 0.00 0.00 SOLV ATOM 14476 OH2 TIP3 2828 -15.611 -7.776 -34.776 0.00 0.00 SOLV ATOM 14477 H1 TIP3 2828 -16.527 -8.137 -34.892 0.00 0.00 SOLV ATOM 14478 H2 TIP3 2828 -15.235 -8.330 -34.030 0.00 0.00 SOLV ATOM 14479 OH2 TIP3 2829 9.869 -5.676 -0.429 0.00 0.00 SOLV ATOM 14480 H1 TIP3 2829 9.156 -6.150 0.030 0.00 0.00 SOLV ATOM 14481 H2 TIP3 2829 9.950 -6.238 -1.209 0.00 0.00 SOLV ATOM 14482 OH2 TIP3 2830 4.418 -8.246 -26.269 0.00 0.00 SOLV ATOM 14483 H1 TIP3 2830 3.502 -8.533 -26.241 0.00 0.00 SOLV ATOM 14484 H2 TIP3 2830 4.423 -7.566 -25.584 0.00 0.00 SOLV ATOM 14485 OH2 TIP3 2831 -31.202 -9.273 5.571 0.00 0.00 SOLV ATOM 14486 H1 TIP3 2831 -31.216 -8.541 6.257 0.00 0.00 SOLV ATOM 14487 H2 TIP3 2831 -30.515 -9.799 5.974 0.00 0.00 SOLV ATOM 14488 OH2 TIP3 2832 22.322 -13.922 -45.979 0.00 0.00 SOLV ATOM 14489 H1 TIP3 2832 21.821 -14.445 -45.414 0.00 0.00 SOLV ATOM 14490 H2 TIP3 2832 23.230 -14.018 -45.675 0.00 0.00 SOLV ATOM 14491 OH2 TIP3 2833 17.287 -10.349 -48.300 0.00 0.00 SOLV ATOM 14492 H1 TIP3 2833 16.445 -10.610 -48.647 0.00 0.00 SOLV ATOM 14493 H2 TIP3 2833 17.506 -10.980 -47.537 0.00 0.00 SOLV ATOM 14494 OH2 TIP3 2834 2.428 13.916 -24.572 0.00 0.00 SOLV ATOM 14495 H1 TIP3 2834 2.445 13.126 -25.087 0.00 0.00 SOLV ATOM 14496 H2 TIP3 2834 2.981 13.719 -23.791 0.00 0.00 SOLV ATOM 14497 OH2 TIP3 2835 -14.927 19.285 -16.411 0.00 0.00 SOLV ATOM 14498 H1 TIP3 2835 -15.401 19.930 -17.009 0.00 0.00 SOLV ATOM 14499 H2 TIP3 2835 -15.540 18.563 -16.344 0.00 0.00 SOLV ATOM 14500 OH2 TIP3 2836 23.821 -20.427 -28.534 0.00 0.00 SOLV ATOM 14501 H1 TIP3 2836 23.144 -20.192 -27.917 0.00 0.00 SOLV ATOM 14502 H2 TIP3 2836 23.633 -21.344 -28.830 0.00 0.00 SOLV ATOM 14503 OH2 TIP3 2837 10.060 -1.837 -3.197 0.00 0.00 SOLV ATOM 14504 H1 TIP3 2837 10.174 -2.206 -2.310 0.00 0.00 SOLV ATOM 14505 H2 TIP3 2837 10.945 -1.595 -3.424 0.00 0.00 SOLV ATOM 14506 OH2 TIP3 2838 23.233 6.757 5.455 0.00 0.00 SOLV ATOM 14507 H1 TIP3 2838 23.035 5.901 5.884 0.00 0.00 SOLV ATOM 14508 H2 TIP3 2838 22.725 6.703 4.658 0.00 0.00 SOLV ATOM 14509 OH2 TIP3 2839 28.773 8.256 -34.303 0.00 0.00 SOLV ATOM 14510 H1 TIP3 2839 29.618 8.215 -34.748 0.00 0.00 SOLV ATOM 14511 H2 TIP3 2839 28.694 7.454 -33.813 0.00 0.00 SOLV ATOM 14512 OH2 TIP3 2840 5.984 0.935 -42.145 0.00 0.00 SOLV ATOM 14513 H1 TIP3 2840 5.637 0.392 -41.438 0.00 0.00 SOLV ATOM 14514 H2 TIP3 2840 5.138 1.196 -42.537 0.00 0.00 SOLV ATOM 14515 OH2 TIP3 2841 -13.116 -9.871 -36.156 0.00 0.00 SOLV ATOM 14516 H1 TIP3 2841 -12.534 -10.115 -36.878 0.00 0.00 SOLV ATOM 14517 H2 TIP3 2841 -13.722 -10.588 -36.130 0.00 0.00 SOLV ATOM 14518 OH2 TIP3 2842 -24.899 9.823 -9.939 0.00 0.00 SOLV ATOM 14519 H1 TIP3 2842 -25.577 10.214 -10.508 0.00 0.00 SOLV ATOM 14520 H2 TIP3 2842 -24.787 10.558 -9.241 0.00 0.00 SOLV ATOM 14521 OH2 TIP3 2843 18.421 5.086 0.776 0.00 0.00 SOLV ATOM 14522 H1 TIP3 2843 17.688 5.270 1.401 0.00 0.00 SOLV ATOM 14523 H2 TIP3 2843 18.504 5.961 0.425 0.00 0.00 SOLV ATOM 14524 OH2 TIP3 2844 -31.154 6.823 -13.051 0.00 0.00 SOLV ATOM 14525 H1 TIP3 2844 -31.587 7.659 -12.883 0.00 0.00 SOLV ATOM 14526 H2 TIP3 2844 -30.282 6.914 -12.526 0.00 0.00 SOLV ATOM 14527 OH2 TIP3 2845 20.349 17.455 -15.844 0.00 0.00 SOLV ATOM 14528 H1 TIP3 2845 20.713 17.798 -15.059 0.00 0.00 SOLV ATOM 14529 H2 TIP3 2845 19.833 16.736 -15.505 0.00 0.00 SOLV ATOM 14530 OH2 TIP3 2846 -33.926 1.488 3.825 0.00 0.00 SOLV ATOM 14531 H1 TIP3 2846 -34.437 1.711 2.979 0.00 0.00 SOLV ATOM 14532 H2 TIP3 2846 -34.503 1.812 4.532 0.00 0.00 SOLV ATOM 14533 OH2 TIP3 2847 17.738 10.407 -49.100 0.00 0.00 SOLV ATOM 14534 H1 TIP3 2847 17.811 9.555 -49.491 0.00 0.00 SOLV ATOM 14535 H2 TIP3 2847 17.546 10.182 -48.183 0.00 0.00 SOLV ATOM 14536 OH2 TIP3 2848 22.665 -2.454 -7.794 0.00 0.00 SOLV ATOM 14537 H1 TIP3 2848 22.538 -1.874 -7.001 0.00 0.00 SOLV ATOM 14538 H2 TIP3 2848 22.987 -1.846 -8.504 0.00 0.00 SOLV ATOM 14539 OH2 TIP3 2849 24.165 2.477 0.383 0.00 0.00 SOLV ATOM 14540 H1 TIP3 2849 24.869 2.128 0.919 0.00 0.00 SOLV ATOM 14541 H2 TIP3 2849 24.468 2.303 -0.531 0.00 0.00 SOLV ATOM 14542 OH2 TIP3 2850 -34.653 4.339 0.048 0.00 0.00 SOLV ATOM 14543 H1 TIP3 2850 -34.398 5.000 0.690 0.00 0.00 SOLV ATOM 14544 H2 TIP3 2850 -33.774 3.893 -0.184 0.00 0.00 SOLV ATOM 14545 OH2 TIP3 2851 -24.255 0.503 0.368 0.00 0.00 SOLV ATOM 14546 H1 TIP3 2851 -24.628 -0.331 0.148 0.00 0.00 SOLV ATOM 14547 H2 TIP3 2851 -25.070 0.858 0.818 0.00 0.00 SOLV ATOM 14548 OH2 TIP3 2852 22.352 15.285 -44.464 0.00 0.00 SOLV ATOM 14549 H1 TIP3 2852 22.868 14.903 -43.713 0.00 0.00 SOLV ATOM 14550 H2 TIP3 2852 21.619 15.798 -44.018 0.00 0.00 SOLV ATOM 14551 OH2 TIP3 2853 18.569 20.512 -30.917 0.00 0.00 SOLV ATOM 14552 H1 TIP3 2853 19.088 21.255 -31.249 0.00 0.00 SOLV ATOM 14553 H2 TIP3 2853 19.212 19.806 -31.097 0.00 0.00 SOLV ATOM 14554 OH2 TIP3 2854 8.698 3.794 -45.741 0.00 0.00 SOLV ATOM 14555 H1 TIP3 2854 8.011 3.849 -45.062 0.00 0.00 SOLV ATOM 14556 H2 TIP3 2854 8.171 3.702 -46.591 0.00 0.00 SOLV ATOM 14557 OH2 TIP3 2855 20.193 6.987 -47.156 0.00 0.00 SOLV ATOM 14558 H1 TIP3 2855 20.366 6.554 -46.313 0.00 0.00 SOLV ATOM 14559 H2 TIP3 2855 20.703 6.484 -47.856 0.00 0.00 SOLV ATOM 14560 OH2 TIP3 2856 14.071 1.948 -4.777 0.00 0.00 SOLV ATOM 14561 H1 TIP3 2856 14.243 1.373 -5.551 0.00 0.00 SOLV ATOM 14562 H2 TIP3 2856 14.996 2.371 -4.691 0.00 0.00 SOLV ATOM 14563 OH2 TIP3 2857 31.763 15.546 -26.913 0.00 0.00 SOLV ATOM 14564 H1 TIP3 2857 31.458 16.273 -26.375 0.00 0.00 SOLV ATOM 14565 H2 TIP3 2857 32.632 15.803 -27.125 0.00 0.00 SOLV ATOM 14566 OH2 TIP3 2858 17.111 15.164 -52.785 0.00 0.00 SOLV ATOM 14567 H1 TIP3 2858 16.758 15.206 -51.866 0.00 0.00 SOLV ATOM 14568 H2 TIP3 2858 17.871 15.789 -52.691 0.00 0.00 SOLV ATOM 14569 OH2 TIP3 2859 23.339 13.635 -1.151 0.00 0.00 SOLV ATOM 14570 H1 TIP3 2859 22.491 13.653 -1.671 0.00 0.00 SOLV ATOM 14571 H2 TIP3 2859 23.780 14.441 -1.515 0.00 0.00 SOLV ATOM 14572 OH2 TIP3 2860 21.991 2.203 5.131 0.00 0.00 SOLV ATOM 14573 H1 TIP3 2860 21.739 1.450 5.701 0.00 0.00 SOLV ATOM 14574 H2 TIP3 2860 22.392 2.916 5.641 0.00 0.00 SOLV ATOM 14575 OH2 TIP3 2861 23.396 14.216 -5.283 0.00 0.00 SOLV ATOM 14576 H1 TIP3 2861 23.028 14.424 -6.151 0.00 0.00 SOLV ATOM 14577 H2 TIP3 2861 24.054 14.878 -5.121 0.00 0.00 SOLV ATOM 14578 OH2 TIP3 2862 19.141 11.264 -6.625 0.00 0.00 SOLV ATOM 14579 H1 TIP3 2862 19.747 11.161 -5.897 0.00 0.00 SOLV ATOM 14580 H2 TIP3 2862 18.346 11.433 -6.141 0.00 0.00 SOLV ATOM 14581 OH2 TIP3 2863 -8.570 -10.278 13.543 0.00 0.00 SOLV ATOM 14582 H1 TIP3 2863 -9.053 -10.026 14.363 0.00 0.00 SOLV ATOM 14583 H2 TIP3 2863 -8.653 -9.428 13.052 0.00 0.00 SOLV ATOM 14584 OH2 TIP3 2864 19.381 13.015 2.829 0.00 0.00 SOLV ATOM 14585 H1 TIP3 2864 19.481 12.625 1.946 0.00 0.00 SOLV ATOM 14586 H2 TIP3 2864 20.334 13.019 3.176 0.00 0.00 SOLV ATOM 14587 OH2 TIP3 2865 20.354 4.760 -48.895 0.00 0.00 SOLV ATOM 14588 H1 TIP3 2865 20.263 4.202 -48.158 0.00 0.00 SOLV ATOM 14589 H2 TIP3 2865 19.513 4.536 -49.392 0.00 0.00 SOLV ATOM 14590 OH2 TIP3 2866 9.816 13.844 -46.523 0.00 0.00 SOLV ATOM 14591 H1 TIP3 2866 8.927 14.134 -46.554 0.00 0.00 SOLV ATOM 14592 H2 TIP3 2866 10.070 13.948 -47.464 0.00 0.00 SOLV ATOM 14593 OH2 TIP3 2867 18.200 7.542 -0.118 0.00 0.00 SOLV ATOM 14594 H1 TIP3 2867 18.538 7.356 -1.059 0.00 0.00 SOLV ATOM 14595 H2 TIP3 2867 17.310 7.818 -0.345 0.00 0.00 SOLV ATOM 14596 OH2 TIP3 2868 -36.860 12.861 12.747 0.00 0.00 SOLV ATOM 14597 H1 TIP3 2868 -36.678 11.960 12.737 0.00 0.00 SOLV ATOM 14598 H2 TIP3 2868 -37.697 12.922 12.331 0.00 0.00 SOLV ATOM 14599 OH2 TIP3 2869 -25.097 -6.266 25.704 0.00 0.00 SOLV ATOM 14600 H1 TIP3 2869 -26.009 -6.685 25.744 0.00 0.00 SOLV ATOM 14601 H2 TIP3 2869 -24.586 -6.799 26.246 0.00 0.00 SOLV ATOM 14602 OH2 TIP3 2870 19.543 17.631 16.884 0.00 0.00 SOLV ATOM 14603 H1 TIP3 2870 19.863 16.823 17.387 0.00 0.00 SOLV ATOM 14604 H2 TIP3 2870 18.581 17.619 17.032 0.00 0.00 SOLV ATOM 14605 OH2 TIP3 2871 12.672 13.231 34.616 0.00 0.00 SOLV ATOM 14606 H1 TIP3 2871 13.305 13.456 33.922 0.00 0.00 SOLV ATOM 14607 H2 TIP3 2871 12.917 12.330 34.833 0.00 0.00 SOLV ATOM 14608 OH2 TIP3 2872 -29.538 -22.974 38.792 0.00 0.00 SOLV ATOM 14609 H1 TIP3 2872 -29.614 -22.305 39.495 0.00 0.00 SOLV ATOM 14610 H2 TIP3 2872 -30.381 -22.920 38.355 0.00 0.00 SOLV ATOM 14611 OH2 TIP3 2873 -33.633 16.106 7.769 0.00 0.00 SOLV ATOM 14612 H1 TIP3 2873 -33.939 15.785 6.915 0.00 0.00 SOLV ATOM 14613 H2 TIP3 2873 -33.849 15.391 8.410 0.00 0.00 SOLV ATOM 14614 OH2 TIP3 2874 -36.048 15.197 13.709 0.00 0.00 SOLV ATOM 14615 H1 TIP3 2874 -36.761 15.788 13.557 0.00 0.00 SOLV ATOM 14616 H2 TIP3 2874 -36.442 14.418 13.281 0.00 0.00 SOLV ATOM 14617 OH2 TIP3 2875 15.653 -28.378 16.746 0.00 0.00 SOLV ATOM 14618 H1 TIP3 2875 15.191 -28.475 17.547 0.00 0.00 SOLV ATOM 14619 H2 TIP3 2875 16.552 -28.344 17.070 0.00 0.00 SOLV ATOM 14620 OH2 TIP3 2876 -24.874 -34.299 11.997 0.00 0.00 SOLV ATOM 14621 H1 TIP3 2876 -24.930 -34.728 11.146 0.00 0.00 SOLV ATOM 14622 H2 TIP3 2876 -24.195 -33.546 11.865 0.00 0.00 SOLV ATOM 14623 OH2 TIP3 2877 18.534 15.102 32.745 0.00 0.00 SOLV ATOM 14624 H1 TIP3 2877 19.208 14.488 32.476 0.00 0.00 SOLV ATOM 14625 H2 TIP3 2877 18.738 15.211 33.737 0.00 0.00 SOLV ATOM 14626 OH2 TIP3 2878 12.647 18.569 0.094 0.00 0.00 SOLV ATOM 14627 H1 TIP3 2878 12.062 19.158 -0.317 0.00 0.00 SOLV ATOM 14628 H2 TIP3 2878 13.573 18.718 -0.287 0.00 0.00 SOLV ATOM 14629 OH2 TIP3 2879 -35.975 13.711 16.330 0.00 0.00 SOLV ATOM 14630 H1 TIP3 2879 -35.681 12.800 16.233 0.00 0.00 SOLV ATOM 14631 H2 TIP3 2879 -35.556 14.117 15.541 0.00 0.00 SOLV ATOM 14632 OH2 TIP3 2880 17.581 16.340 27.728 0.00 0.00 SOLV ATOM 14633 H1 TIP3 2880 18.311 16.386 28.367 0.00 0.00 SOLV ATOM 14634 H2 TIP3 2880 17.953 15.889 26.999 0.00 0.00 SOLV ATOM 14635 OH2 TIP3 2881 -16.823 -34.729 45.545 0.00 0.00 SOLV ATOM 14636 H1 TIP3 2881 -17.466 -35.058 44.878 0.00 0.00 SOLV ATOM 14637 H2 TIP3 2881 -15.938 -34.918 45.101 0.00 0.00 SOLV ATOM 14638 OH2 TIP3 2882 -32.077 14.479 11.685 0.00 0.00 SOLV ATOM 14639 H1 TIP3 2882 -32.324 15.220 11.175 0.00 0.00 SOLV ATOM 14640 H2 TIP3 2882 -31.102 14.526 11.549 0.00 0.00 SOLV ATOM 14641 OH2 TIP3 2883 -28.111 -19.340 16.506 0.00 0.00 SOLV ATOM 14642 H1 TIP3 2883 -28.422 -19.204 17.394 0.00 0.00 SOLV ATOM 14643 H2 TIP3 2883 -27.236 -19.663 16.631 0.00 0.00 SOLV ATOM 14644 OH2 TIP3 2884 -25.978 -28.145 20.251 0.00 0.00 SOLV ATOM 14645 H1 TIP3 2884 -26.778 -28.191 20.712 0.00 0.00 SOLV ATOM 14646 H2 TIP3 2884 -26.327 -27.943 19.337 0.00 0.00 SOLV ATOM 14647 OH2 TIP3 2885 18.145 -24.619 32.535 0.00 0.00 SOLV ATOM 14648 H1 TIP3 2885 18.984 -24.175 32.503 0.00 0.00 SOLV ATOM 14649 H2 TIP3 2885 18.172 -25.386 31.837 0.00 0.00 SOLV ATOM 14650 OH2 TIP3 2886 12.316 -28.285 28.992 0.00 0.00 SOLV ATOM 14651 H1 TIP3 2886 13.142 -28.504 29.533 0.00 0.00 SOLV ATOM 14652 H2 TIP3 2886 11.615 -28.034 29.645 0.00 0.00 SOLV ATOM 14653 OH2 TIP3 2887 11.854 -33.426 31.453 0.00 0.00 SOLV ATOM 14654 H1 TIP3 2887 11.349 -33.275 32.274 0.00 0.00 SOLV ATOM 14655 H2 TIP3 2887 11.163 -33.761 30.810 0.00 0.00 SOLV ATOM 14656 OH2 TIP3 2888 -33.218 -20.654 28.060 0.00 0.00 SOLV ATOM 14657 H1 TIP3 2888 -32.345 -20.766 28.533 0.00 0.00 SOLV ATOM 14658 H2 TIP3 2888 -33.331 -19.705 27.864 0.00 0.00 SOLV ATOM 14659 OH2 TIP3 2889 -24.530 -20.911 9.601 0.00 0.00 SOLV ATOM 14660 H1 TIP3 2889 -24.146 -21.770 9.919 0.00 0.00 SOLV ATOM 14661 H2 TIP3 2889 -25.467 -21.144 9.508 0.00 0.00 SOLV ATOM 14662 OH2 TIP3 2890 -29.719 -17.414 31.645 0.00 0.00 SOLV ATOM 14663 H1 TIP3 2890 -29.853 -18.362 31.468 0.00 0.00 SOLV ATOM 14664 H2 TIP3 2890 -28.869 -17.439 32.121 0.00 0.00 SOLV ATOM 14665 OH2 TIP3 2891 20.705 -23.287 38.648 0.00 0.00 SOLV ATOM 14666 H1 TIP3 2891 20.047 -23.348 37.933 0.00 0.00 SOLV ATOM 14667 H2 TIP3 2891 20.495 -24.092 39.187 0.00 0.00 SOLV ATOM 14668 OH2 TIP3 2892 11.127 -19.787 42.120 0.00 0.00 SOLV ATOM 14669 H1 TIP3 2892 10.738 -20.174 41.379 0.00 0.00 SOLV ATOM 14670 H2 TIP3 2892 10.959 -18.832 41.900 0.00 0.00 SOLV ATOM 14671 OH2 TIP3 2893 -3.796 -32.934 23.602 0.00 0.00 SOLV ATOM 14672 H1 TIP3 2893 -3.515 -32.949 24.577 0.00 0.00 SOLV ATOM 14673 H2 TIP3 2893 -4.434 -32.236 23.585 0.00 0.00 SOLV ATOM 14674 OH2 TIP3 2894 23.607 -22.760 23.390 0.00 0.00 SOLV ATOM 14675 H1 TIP3 2894 23.915 -23.558 23.907 0.00 0.00 SOLV ATOM 14676 H2 TIP3 2894 22.680 -23.004 23.153 0.00 0.00 SOLV ATOM 14677 OH2 TIP3 2895 20.024 -12.870 24.476 0.00 0.00 SOLV ATOM 14678 H1 TIP3 2895 19.483 -12.779 25.305 0.00 0.00 SOLV ATOM 14679 H2 TIP3 2895 19.882 -12.084 23.944 0.00 0.00 SOLV ATOM 14680 OH2 TIP3 2896 11.528 -25.883 41.825 0.00 0.00 SOLV ATOM 14681 H1 TIP3 2896 11.044 -26.694 42.120 0.00 0.00 SOLV ATOM 14682 H2 TIP3 2896 10.857 -25.192 41.939 0.00 0.00 SOLV ATOM 14683 OH2 TIP3 2897 -36.182 -12.142 25.207 0.00 0.00 SOLV ATOM 14684 H1 TIP3 2897 -36.854 -12.780 24.886 0.00 0.00 SOLV ATOM 14685 H2 TIP3 2897 -36.016 -12.400 26.104 0.00 0.00 SOLV ATOM 14686 OH2 TIP3 2898 -31.666 -5.694 13.422 0.00 0.00 SOLV ATOM 14687 H1 TIP3 2898 -31.145 -6.306 12.841 0.00 0.00 SOLV ATOM 14688 H2 TIP3 2898 -32.330 -5.407 12.784 0.00 0.00 SOLV ATOM 14689 OH2 TIP3 2899 14.424 -24.747 20.079 0.00 0.00 SOLV ATOM 14690 H1 TIP3 2899 15.118 -24.261 20.588 0.00 0.00 SOLV ATOM 14691 H2 TIP3 2899 14.022 -24.086 19.509 0.00 0.00 SOLV ATOM 14692 OH2 TIP3 2900 15.939 -18.735 25.622 0.00 0.00 SOLV ATOM 14693 H1 TIP3 2900 16.334 -19.621 25.500 0.00 0.00 SOLV ATOM 14694 H2 TIP3 2900 16.644 -18.203 25.261 0.00 0.00 SOLV ATOM 14695 OH2 TIP3 2901 -22.130 -27.540 36.390 0.00 0.00 SOLV ATOM 14696 H1 TIP3 2901 -23.097 -27.712 36.140 0.00 0.00 SOLV ATOM 14697 H2 TIP3 2901 -21.926 -28.309 37.010 0.00 0.00 SOLV ATOM 14698 OH2 TIP3 2902 -34.921 -15.644 33.016 0.00 0.00 SOLV ATOM 14699 H1 TIP3 2902 -34.517 -15.063 33.684 0.00 0.00 SOLV ATOM 14700 H2 TIP3 2902 -35.818 -15.209 32.916 0.00 0.00 SOLV ATOM 14701 OH2 TIP3 2903 18.313 -10.200 27.357 0.00 0.00 SOLV ATOM 14702 H1 TIP3 2903 18.487 -9.587 28.115 0.00 0.00 SOLV ATOM 14703 H2 TIP3 2903 17.380 -10.041 27.166 0.00 0.00 SOLV ATOM 14704 OH2 TIP3 2904 -25.656 -14.262 40.150 0.00 0.00 SOLV ATOM 14705 H1 TIP3 2904 -25.474 -13.455 40.579 0.00 0.00 SOLV ATOM 14706 H2 TIP3 2904 -26.087 -13.975 39.304 0.00 0.00 SOLV ATOM 14707 OH2 TIP3 2905 15.943 -19.122 44.414 0.00 0.00 SOLV ATOM 14708 H1 TIP3 2905 15.214 -18.993 43.755 0.00 0.00 SOLV ATOM 14709 H2 TIP3 2905 15.672 -19.947 44.917 0.00 0.00 SOLV ATOM 14710 OH2 TIP3 2906 -31.936 -18.554 25.115 0.00 0.00 SOLV ATOM 14711 H1 TIP3 2906 -31.104 -18.808 25.501 0.00 0.00 SOLV ATOM 14712 H2 TIP3 2906 -32.502 -18.369 25.910 0.00 0.00 SOLV ATOM 14713 OH2 TIP3 2907 23.514 -12.376 23.710 0.00 0.00 SOLV ATOM 14714 H1 TIP3 2907 23.140 -11.456 23.684 0.00 0.00 SOLV ATOM 14715 H2 TIP3 2907 24.328 -12.259 23.217 0.00 0.00 SOLV ATOM 14716 OH2 TIP3 2908 16.002 -23.435 33.669 0.00 0.00 SOLV ATOM 14717 H1 TIP3 2908 16.580 -24.097 33.311 0.00 0.00 SOLV ATOM 14718 H2 TIP3 2908 16.036 -22.767 33.024 0.00 0.00 SOLV ATOM 14719 OH2 TIP3 2909 19.021 -8.502 16.057 0.00 0.00 SOLV ATOM 14720 H1 TIP3 2909 18.429 -9.198 16.411 0.00 0.00 SOLV ATOM 14721 H2 TIP3 2909 19.545 -8.345 16.830 0.00 0.00 SOLV ATOM 14722 OH2 TIP3 2910 -16.060 -25.570 25.565 0.00 0.00 SOLV ATOM 14723 H1 TIP3 2910 -15.361 -25.500 26.181 0.00 0.00 SOLV ATOM 14724 H2 TIP3 2910 -16.814 -26.000 26.060 0.00 0.00 SOLV ATOM 14725 OH2 TIP3 2911 18.893 -13.721 38.799 0.00 0.00 SOLV ATOM 14726 H1 TIP3 2911 18.794 -13.904 39.719 0.00 0.00 SOLV ATOM 14727 H2 TIP3 2911 18.036 -13.383 38.513 0.00 0.00 SOLV ATOM 14728 OH2 TIP3 2912 18.772 11.210 27.033 0.00 0.00 SOLV ATOM 14729 H1 TIP3 2912 18.923 10.504 27.635 0.00 0.00 SOLV ATOM 14730 H2 TIP3 2912 19.333 11.919 27.395 0.00 0.00 SOLV ATOM 14731 OH2 TIP3 2913 10.306 -5.794 34.669 0.00 0.00 SOLV ATOM 14732 H1 TIP3 2913 9.442 -5.920 35.029 0.00 0.00 SOLV ATOM 14733 H2 TIP3 2913 10.934 -5.856 35.431 0.00 0.00 SOLV ATOM 14734 OH2 TIP3 2914 -26.630 -12.830 43.429 0.00 0.00 SOLV ATOM 14735 H1 TIP3 2914 -26.210 -12.247 42.723 0.00 0.00 SOLV ATOM 14736 H2 TIP3 2914 -25.931 -13.517 43.463 0.00 0.00 SOLV ATOM 14737 OH2 TIP3 2915 -17.359 2.799 36.372 0.00 0.00 SOLV ATOM 14738 H1 TIP3 2915 -17.660 2.835 37.314 0.00 0.00 SOLV ATOM 14739 H2 TIP3 2915 -18.211 2.664 35.957 0.00 0.00 SOLV ATOM 14740 OH2 TIP3 2916 19.152 -14.166 19.061 0.00 0.00 SOLV ATOM 14741 H1 TIP3 2916 18.680 -13.254 19.024 0.00 0.00 SOLV ATOM 14742 H2 TIP3 2916 19.089 -14.444 19.970 0.00 0.00 SOLV ATOM 14743 OH2 TIP3 2917 -27.388 -31.320 26.042 0.00 0.00 SOLV ATOM 14744 H1 TIP3 2917 -27.256 -31.586 26.927 0.00 0.00 SOLV ATOM 14745 H2 TIP3 2917 -26.474 -31.169 25.767 0.00 0.00 SOLV ATOM 14746 OH2 TIP3 2918 19.218 -26.812 34.155 0.00 0.00 SOLV ATOM 14747 H1 TIP3 2918 18.506 -27.304 34.460 0.00 0.00 SOLV ATOM 14748 H2 TIP3 2918 18.768 -26.063 33.731 0.00 0.00 SOLV ATOM 14749 OH2 TIP3 2919 18.323 -21.513 31.101 0.00 0.00 SOLV ATOM 14750 H1 TIP3 2919 18.965 -22.291 31.186 0.00 0.00 SOLV ATOM 14751 H2 TIP3 2919 18.904 -20.750 31.315 0.00 0.00 SOLV ATOM 14752 OH2 TIP3 2920 15.877 -4.856 43.301 0.00 0.00 SOLV ATOM 14753 H1 TIP3 2920 16.428 -4.531 44.014 0.00 0.00 SOLV ATOM 14754 H2 TIP3 2920 15.519 -5.675 43.577 0.00 0.00 SOLV ATOM 14755 OH2 TIP3 2921 -31.142 -10.606 12.976 0.00 0.00 SOLV ATOM 14756 H1 TIP3 2921 -31.914 -10.868 13.412 0.00 0.00 SOLV ATOM 14757 H2 TIP3 2921 -30.715 -9.997 13.503 0.00 0.00 SOLV ATOM 14758 OH2 TIP3 2922 -30.918 -14.326 19.353 0.00 0.00 SOLV ATOM 14759 H1 TIP3 2922 -30.792 -13.877 20.214 0.00 0.00 SOLV ATOM 14760 H2 TIP3 2922 -31.552 -13.712 18.964 0.00 0.00 SOLV ATOM 14761 OH2 TIP3 2923 -33.766 -3.372 9.615 0.00 0.00 SOLV ATOM 14762 H1 TIP3 2923 -33.183 -3.745 8.948 0.00 0.00 SOLV ATOM 14763 H2 TIP3 2923 -33.189 -2.698 9.976 0.00 0.00 SOLV ATOM 14764 OH2 TIP3 2924 16.725 -20.804 19.635 0.00 0.00 SOLV ATOM 14765 H1 TIP3 2924 17.497 -20.428 19.190 0.00 0.00 SOLV ATOM 14766 H2 TIP3 2924 17.083 -21.531 20.129 0.00 0.00 SOLV ATOM 14767 OH2 TIP3 2925 -30.680 -5.203 17.324 0.00 0.00 SOLV ATOM 14768 H1 TIP3 2925 -30.714 -5.278 18.319 0.00 0.00 SOLV ATOM 14769 H2 TIP3 2925 -31.280 -4.405 17.135 0.00 0.00 SOLV ATOM 14770 OH2 TIP3 2926 -31.515 -4.156 35.948 0.00 0.00 SOLV ATOM 14771 H1 TIP3 2926 -32.038 -4.437 35.145 0.00 0.00 SOLV ATOM 14772 H2 TIP3 2926 -31.886 -3.331 36.082 0.00 0.00 SOLV ATOM 14773 OH2 TIP3 2927 -10.439 -26.027 30.852 0.00 0.00 SOLV ATOM 14774 H1 TIP3 2927 -9.615 -26.513 31.111 0.00 0.00 SOLV ATOM 14775 H2 TIP3 2927 -10.933 -26.059 31.696 0.00 0.00 SOLV ATOM 14776 OH2 TIP3 2928 -9.753 -30.844 14.622 0.00 0.00 SOLV ATOM 14777 H1 TIP3 2928 -9.547 -30.035 15.038 0.00 0.00 SOLV ATOM 14778 H2 TIP3 2928 -9.140 -31.442 15.086 0.00 0.00 SOLV ATOM 14779 OH2 TIP3 2929 21.830 4.592 30.872 0.00 0.00 SOLV ATOM 14780 H1 TIP3 2929 21.377 5.057 31.603 0.00 0.00 SOLV ATOM 14781 H2 TIP3 2929 21.374 3.786 30.794 0.00 0.00 SOLV ATOM 14782 OH2 TIP3 2930 8.449 -0.950 47.660 0.00 0.00 SOLV ATOM 14783 H1 TIP3 2930 9.300 -1.405 47.842 0.00 0.00 SOLV ATOM 14784 H2 TIP3 2930 7.857 -1.342 48.404 0.00 0.00 SOLV ATOM 14785 OH2 TIP3 2931 16.450 -10.383 7.720 0.00 0.00 SOLV ATOM 14786 H1 TIP3 2931 16.250 -9.727 8.387 0.00 0.00 SOLV ATOM 14787 H2 TIP3 2931 17.409 -10.510 7.815 0.00 0.00 SOLV ATOM 14788 OH2 TIP3 2932 13.476 -10.463 11.167 0.00 0.00 SOLV ATOM 14789 H1 TIP3 2932 13.910 -9.910 11.810 0.00 0.00 SOLV ATOM 14790 H2 TIP3 2932 13.484 -9.865 10.373 0.00 0.00 SOLV ATOM 14791 OH2 TIP3 2933 17.768 -14.991 22.879 0.00 0.00 SOLV ATOM 14792 H1 TIP3 2933 18.591 -14.756 22.312 0.00 0.00 SOLV ATOM 14793 H2 TIP3 2933 17.106 -15.235 22.154 0.00 0.00 SOLV ATOM 14794 OH2 TIP3 2934 15.545 -5.487 18.484 0.00 0.00 SOLV ATOM 14795 H1 TIP3 2934 16.048 -5.941 19.140 0.00 0.00 SOLV ATOM 14796 H2 TIP3 2934 14.595 -5.681 18.672 0.00 0.00 SOLV ATOM 14797 OH2 TIP3 2935 -34.418 -11.220 34.819 0.00 0.00 SOLV ATOM 14798 H1 TIP3 2935 -34.160 -12.096 34.634 0.00 0.00 SOLV ATOM 14799 H2 TIP3 2935 -33.817 -10.958 35.559 0.00 0.00 SOLV ATOM 14800 OH2 TIP3 2936 -0.378 -27.133 11.677 0.00 0.00 SOLV ATOM 14801 H1 TIP3 2936 -1.163 -27.353 11.182 0.00 0.00 SOLV ATOM 14802 H2 TIP3 2936 -0.655 -26.282 12.106 0.00 0.00 SOLV ATOM 14803 OH2 TIP3 2937 9.790 -15.390 51.651 0.00 0.00 SOLV ATOM 14804 H1 TIP3 2937 9.533 -16.210 51.228 0.00 0.00 SOLV ATOM 14805 H2 TIP3 2937 8.982 -14.953 51.656 0.00 0.00 SOLV ATOM 14806 OH2 TIP3 2938 -32.916 -16.124 23.244 0.00 0.00 SOLV ATOM 14807 H1 TIP3 2938 -33.857 -16.045 23.200 0.00 0.00 SOLV ATOM 14808 H2 TIP3 2938 -32.723 -16.766 23.917 0.00 0.00 SOLV ATOM 14809 OH2 TIP3 2939 8.583 3.659 30.689 0.00 0.00 SOLV ATOM 14810 H1 TIP3 2939 9.396 3.200 30.754 0.00 0.00 SOLV ATOM 14811 H2 TIP3 2939 8.703 4.152 29.881 0.00 0.00 SOLV ATOM 14812 OH2 TIP3 2940 -17.654 -5.240 15.727 0.00 0.00 SOLV ATOM 14813 H1 TIP3 2940 -17.386 -5.197 16.634 0.00 0.00 SOLV ATOM 14814 H2 TIP3 2940 -17.494 -4.359 15.368 0.00 0.00 SOLV ATOM 14815 OH2 TIP3 2941 17.985 -14.963 30.236 0.00 0.00 SOLV ATOM 14816 H1 TIP3 2941 17.665 -15.855 30.028 0.00 0.00 SOLV ATOM 14817 H2 TIP3 2941 17.409 -14.415 29.687 0.00 0.00 SOLV ATOM 14818 OH2 TIP3 2942 15.608 -2.457 18.462 0.00 0.00 SOLV ATOM 14819 H1 TIP3 2942 15.728 -3.360 18.878 0.00 0.00 SOLV ATOM 14820 H2 TIP3 2942 15.201 -2.664 17.620 0.00 0.00 SOLV ATOM 14821 OH2 TIP3 2943 19.764 -1.221 29.769 0.00 0.00 SOLV ATOM 14822 H1 TIP3 2943 19.320 -1.872 29.183 0.00 0.00 SOLV ATOM 14823 H2 TIP3 2943 19.968 -0.418 29.274 0.00 0.00 SOLV ATOM 14824 OH2 TIP3 2944 -31.094 -4.132 26.683 0.00 0.00 SOLV ATOM 14825 H1 TIP3 2944 -31.311 -4.474 25.804 0.00 0.00 SOLV ATOM 14826 H2 TIP3 2944 -30.121 -4.256 26.711 0.00 0.00 SOLV ATOM 14827 OH2 TIP3 2945 16.483 -15.296 37.781 0.00 0.00 SOLV ATOM 14828 H1 TIP3 2945 17.395 -15.275 38.076 0.00 0.00 SOLV ATOM 14829 H2 TIP3 2945 16.444 -14.396 37.401 0.00 0.00 SOLV ATOM 14830 OH2 TIP3 2946 -26.739 2.579 32.721 0.00 0.00 SOLV ATOM 14831 H1 TIP3 2946 -27.524 2.067 32.851 0.00 0.00 SOLV ATOM 14832 H2 TIP3 2946 -26.610 2.803 33.645 0.00 0.00 SOLV ATOM 14833 OH2 TIP3 2947 14.296 4.756 4.529 0.00 0.00 SOLV ATOM 14834 H1 TIP3 2947 14.915 5.340 4.060 0.00 0.00 SOLV ATOM 14835 H2 TIP3 2947 14.453 3.896 4.074 0.00 0.00 SOLV ATOM 14836 OH2 TIP3 2948 -33.681 3.225 25.263 0.00 0.00 SOLV ATOM 14837 H1 TIP3 2948 -33.346 3.978 24.712 0.00 0.00 SOLV ATOM 14838 H2 TIP3 2948 -33.702 3.651 26.191 0.00 0.00 SOLV ATOM 14839 OH2 TIP3 2949 21.074 -0.519 11.621 0.00 0.00 SOLV ATOM 14840 H1 TIP3 2949 21.949 -0.822 11.404 0.00 0.00 SOLV ATOM 14841 H2 TIP3 2949 21.218 0.426 11.566 0.00 0.00 SOLV ATOM 14842 OH2 TIP3 2950 6.129 -14.428 8.372 0.00 0.00 SOLV ATOM 14843 H1 TIP3 2950 6.677 -15.001 8.910 0.00 0.00 SOLV ATOM 14844 H2 TIP3 2950 5.286 -14.847 8.502 0.00 0.00 SOLV ATOM 14845 OH2 TIP3 2951 14.035 -14.591 24.937 0.00 0.00 SOLV ATOM 14846 H1 TIP3 2951 14.280 -15.362 25.419 0.00 0.00 SOLV ATOM 14847 H2 TIP3 2951 13.733 -15.023 24.074 0.00 0.00 SOLV ATOM 14848 OH2 TIP3 2952 -28.718 -4.316 21.048 0.00 0.00 SOLV ATOM 14849 H1 TIP3 2952 -29.353 -4.263 21.766 0.00 0.00 SOLV ATOM 14850 H2 TIP3 2952 -27.832 -4.529 21.430 0.00 0.00 SOLV ATOM 14851 OH2 TIP3 2953 21.838 2.473 34.306 0.00 0.00 SOLV ATOM 14852 H1 TIP3 2953 21.486 2.399 35.242 0.00 0.00 SOLV ATOM 14853 H2 TIP3 2953 22.792 2.294 34.389 0.00 0.00 SOLV ATOM 14854 OH2 TIP3 2954 22.868 21.669 -19.215 0.00 0.00 SOLV ATOM 14855 H1 TIP3 2954 22.848 20.981 -18.495 0.00 0.00 SOLV ATOM 14856 H2 TIP3 2954 23.432 21.259 -19.937 0.00 0.00 SOLV ATOM 14857 OH2 TIP3 2955 -32.394 9.458 8.818 0.00 0.00 SOLV ATOM 14858 H1 TIP3 2955 -32.059 10.381 8.897 0.00 0.00 SOLV ATOM 14859 H2 TIP3 2955 -32.209 9.302 7.905 0.00 0.00 SOLV ATOM 14860 OH2 TIP3 2956 20.755 -8.648 13.467 0.00 0.00 SOLV ATOM 14861 H1 TIP3 2956 21.510 -7.925 13.581 0.00 0.00 SOLV ATOM 14862 H2 TIP3 2956 20.351 -8.681 14.378 0.00 0.00 SOLV ATOM 14863 OH2 TIP3 2957 -37.357 -3.532 13.653 0.00 0.00 SOLV ATOM 14864 H1 TIP3 2957 -37.274 -2.860 14.306 0.00 0.00 SOLV ATOM 14865 H2 TIP3 2957 -36.551 -4.043 13.725 0.00 0.00 SOLV ATOM 14866 OH2 TIP3 2958 23.584 -4.661 22.536 0.00 0.00 SOLV ATOM 14867 H1 TIP3 2958 24.408 -4.892 23.002 0.00 0.00 SOLV ATOM 14868 H2 TIP3 2958 23.895 -4.553 21.608 0.00 0.00 SOLV ATOM 14869 OH2 TIP3 2959 5.104 -26.320 27.892 0.00 0.00 SOLV ATOM 14870 H1 TIP3 2959 4.688 -25.473 28.052 0.00 0.00 SOLV ATOM 14871 H2 TIP3 2959 4.342 -26.988 27.977 0.00 0.00 SOLV ATOM 14872 OH2 TIP3 2960 13.019 9.649 6.214 0.00 0.00 SOLV ATOM 14873 H1 TIP3 2960 13.253 9.006 5.570 0.00 0.00 SOLV ATOM 14874 H2 TIP3 2960 13.820 10.091 6.561 0.00 0.00 SOLV ATOM 14875 OH2 TIP3 2961 22.520 0.496 30.391 0.00 0.00 SOLV ATOM 14876 H1 TIP3 2961 21.729 0.542 29.853 0.00 0.00 SOLV ATOM 14877 H2 TIP3 2961 22.308 1.137 31.078 0.00 0.00 SOLV ATOM 14878 OH2 TIP3 2962 18.813 9.928 39.293 0.00 0.00 SOLV ATOM 14879 H1 TIP3 2962 19.016 9.020 39.564 0.00 0.00 SOLV ATOM 14880 H2 TIP3 2962 18.375 10.277 40.106 0.00 0.00 SOLV ATOM 14881 OH2 TIP3 2963 -29.400 11.949 22.186 0.00 0.00 SOLV ATOM 14882 H1 TIP3 2963 -29.189 11.475 22.962 0.00 0.00 SOLV ATOM 14883 H2 TIP3 2963 -28.793 11.497 21.541 0.00 0.00 SOLV ATOM 14884 OH2 TIP3 2964 -17.114 -7.382 11.387 0.00 0.00 SOLV ATOM 14885 H1 TIP3 2964 -16.748 -6.497 11.056 0.00 0.00 SOLV ATOM 14886 H2 TIP3 2964 -17.719 -7.087 12.016 0.00 0.00 SOLV ATOM 14887 OH2 TIP3 2965 -20.862 1.900 18.926 0.00 0.00 SOLV ATOM 14888 H1 TIP3 2965 -21.751 1.712 19.069 0.00 0.00 SOLV ATOM 14889 H2 TIP3 2965 -20.918 2.645 18.429 0.00 0.00 SOLV ATOM 14890 OH2 TIP3 2966 -1.790 12.289 27.296 0.00 0.00 SOLV ATOM 14891 H1 TIP3 2966 -1.520 12.531 28.189 0.00 0.00 SOLV ATOM 14892 H2 TIP3 2966 -1.079 12.643 26.819 0.00 0.00 SOLV ATOM 14893 OH2 TIP3 2967 17.457 12.803 9.721 0.00 0.00 SOLV ATOM 14894 H1 TIP3 2967 18.305 12.655 10.266 0.00 0.00 SOLV ATOM 14895 H2 TIP3 2967 17.742 12.699 8.776 0.00 0.00 SOLV ATOM 14896 OH2 TIP3 2968 -36.034 3.957 18.324 0.00 0.00 SOLV ATOM 14897 H1 TIP3 2968 -36.610 3.409 18.869 0.00 0.00 SOLV ATOM 14898 H2 TIP3 2968 -36.706 4.525 17.920 0.00 0.00 SOLV ATOM 14899 OH2 TIP3 2969 22.987 5.009 24.061 0.00 0.00 SOLV ATOM 14900 H1 TIP3 2969 22.094 4.952 23.596 0.00 0.00 SOLV ATOM 14901 H2 TIP3 2969 22.852 5.018 25.019 0.00 0.00 SOLV ATOM 14902 OH2 TIP3 2970 18.019 -1.498 34.850 0.00 0.00 SOLV ATOM 14903 H1 TIP3 2970 18.515 -2.007 34.166 0.00 0.00 SOLV ATOM 14904 H2 TIP3 2970 18.722 -0.856 35.050 0.00 0.00 SOLV ATOM 14905 OH2 TIP3 2971 -27.603 9.393 28.767 0.00 0.00 SOLV ATOM 14906 H1 TIP3 2971 -27.499 8.441 28.719 0.00 0.00 SOLV ATOM 14907 H2 TIP3 2971 -28.145 9.599 29.507 0.00 0.00 SOLV ATOM 14908 OH2 TIP3 2972 -27.023 15.812 28.413 0.00 0.00 SOLV ATOM 14909 H1 TIP3 2972 -27.231 14.894 28.330 0.00 0.00 SOLV ATOM 14910 H2 TIP3 2972 -26.123 15.894 28.126 0.00 0.00 SOLV ATOM 14911 OH2 TIP3 2973 3.956 21.661 -5.366 0.00 0.00 SOLV ATOM 14912 H1 TIP3 2973 4.171 22.005 -6.306 0.00 0.00 SOLV ATOM 14913 H2 TIP3 2973 3.747 20.748 -5.552 0.00 0.00 SOLV ATOM 14914 OH2 TIP3 2974 -29.795 5.427 11.195 0.00 0.00 SOLV ATOM 14915 H1 TIP3 2974 -29.998 5.852 12.009 0.00 0.00 SOLV ATOM 14916 H2 TIP3 2974 -30.239 4.623 11.264 0.00 0.00 SOLV ATOM 14917 OH2 TIP3 2975 -29.742 9.289 18.531 0.00 0.00 SOLV ATOM 14918 H1 TIP3 2975 -29.019 8.619 18.603 0.00 0.00 SOLV ATOM 14919 H2 TIP3 2975 -29.793 9.665 19.523 0.00 0.00 SOLV ATOM 14920 OH2 TIP3 2976 23.813 11.812 30.350 0.00 0.00 SOLV ATOM 14921 H1 TIP3 2976 23.621 12.741 30.132 0.00 0.00 SOLV ATOM 14922 H2 TIP3 2976 23.808 11.751 31.308 0.00 0.00 SOLV ATOM 14923 OH2 TIP3 2977 22.400 11.416 25.635 0.00 0.00 SOLV ATOM 14924 H1 TIP3 2977 23.106 10.952 25.209 0.00 0.00 SOLV ATOM 14925 H2 TIP3 2977 21.664 11.306 25.029 0.00 0.00 SOLV ATOM 14926 OH2 TIP3 2978 1.600 -24.122 39.915 0.00 0.00 SOLV ATOM 14927 H1 TIP3 2978 1.043 -24.836 39.486 0.00 0.00 SOLV ATOM 14928 H2 TIP3 2978 1.325 -23.274 39.463 0.00 0.00 SOLV ATOM 14929 OH2 TIP3 2979 -36.728 -4.700 7.842 0.00 0.00 SOLV ATOM 14930 H1 TIP3 2979 -36.716 -5.503 8.419 0.00 0.00 SOLV ATOM 14931 H2 TIP3 2979 -36.390 -4.984 6.975 0.00 0.00 SOLV ATOM 14932 OH2 TIP3 2980 24.234 6.786 11.272 0.00 0.00 SOLV ATOM 14933 H1 TIP3 2980 23.867 7.085 10.391 0.00 0.00 SOLV ATOM 14934 H2 TIP3 2980 25.108 6.422 11.165 0.00 0.00 SOLV ATOM 14935 OH2 TIP3 2981 6.140 21.023 7.291 0.00 0.00 SOLV ATOM 14936 H1 TIP3 2981 5.903 21.867 7.713 0.00 0.00 SOLV ATOM 14937 H2 TIP3 2981 5.932 21.192 6.301 0.00 0.00 SOLV ATOM 14938 OH2 TIP3 2982 -36.099 7.219 18.845 0.00 0.00 SOLV ATOM 14939 H1 TIP3 2982 -36.250 8.082 18.411 0.00 0.00 SOLV ATOM 14940 H2 TIP3 2982 -35.265 7.339 19.278 0.00 0.00 SOLV ATOM 14941 OH2 TIP3 2983 18.907 12.769 35.152 0.00 0.00 SOLV ATOM 14942 H1 TIP3 2983 17.977 13.079 35.236 0.00 0.00 SOLV ATOM 14943 H2 TIP3 2983 18.813 11.774 35.029 0.00 0.00 SOLV ATOM 14944 OH2 TIP3 2984 10.304 5.716 8.059 0.00 0.00 SOLV ATOM 14945 H1 TIP3 2984 11.049 5.361 8.564 0.00 0.00 SOLV ATOM 14946 H2 TIP3 2984 10.166 6.614 8.520 0.00 0.00 SOLV ATOM 14947 OH2 TIP3 2985 -29.229 15.214 7.983 0.00 0.00 SOLV ATOM 14948 H1 TIP3 2985 -29.628 15.429 7.213 0.00 0.00 SOLV ATOM 14949 H2 TIP3 2985 -29.743 15.729 8.642 0.00 0.00 SOLV ATOM 14950 OH2 TIP3 2986 -35.888 -0.711 19.379 0.00 0.00 SOLV ATOM 14951 H1 TIP3 2986 -35.563 -1.636 19.470 0.00 0.00 SOLV ATOM 14952 H2 TIP3 2986 -35.309 -0.080 19.844 0.00 0.00 SOLV ATOM 14953 OH2 TIP3 2987 -36.827 8.187 8.295 0.00 0.00 SOLV ATOM 14954 H1 TIP3 2987 -36.667 8.801 7.586 0.00 0.00 SOLV ATOM 14955 H2 TIP3 2987 -35.971 7.878 8.695 0.00 0.00 SOLV ATOM 14956 OH2 TIP3 2988 -31.336 3.367 10.751 0.00 0.00 SOLV ATOM 14957 H1 TIP3 2988 -30.797 2.779 10.239 0.00 0.00 SOLV ATOM 14958 H2 TIP3 2988 -31.593 2.859 11.530 0.00 0.00 SOLV ATOM 14959 OH2 TIP3 2989 -30.654 10.612 14.381 0.00 0.00 SOLV ATOM 14960 H1 TIP3 2989 -29.843 11.093 14.314 0.00 0.00 SOLV ATOM 14961 H2 TIP3 2989 -30.431 9.857 14.867 0.00 0.00 SOLV ATOM 14962 OH2 TIP3 2990 -9.212 -36.336 14.368 0.00 0.00 SOLV ATOM 14963 H1 TIP3 2990 -9.034 -35.613 15.004 0.00 0.00 SOLV ATOM 14964 H2 TIP3 2990 -9.373 -35.884 13.529 0.00 0.00 SOLV ATOM 14965 OH2 TIP3 2991 -20.387 -35.384 18.486 0.00 0.00 SOLV ATOM 14966 H1 TIP3 2991 -20.261 -35.041 17.638 0.00 0.00 SOLV ATOM 14967 H2 TIP3 2991 -21.381 -35.184 18.670 0.00 0.00 SOLV ATOM 14968 OH2 TIP3 2992 -13.542 15.072 23.590 0.00 0.00 SOLV ATOM 14969 H1 TIP3 2992 -14.243 14.623 23.090 0.00 0.00 SOLV ATOM 14970 H2 TIP3 2992 -13.954 15.304 24.485 0.00 0.00 SOLV ATOM 14971 OH2 TIP3 2993 21.954 -16.222 31.075 0.00 0.00 SOLV ATOM 14972 H1 TIP3 2993 22.485 -16.984 30.896 0.00 0.00 SOLV ATOM 14973 H2 TIP3 2993 21.420 -16.196 30.219 0.00 0.00 SOLV ATOM 14974 OH2 TIP3 2994 -21.765 5.913 -9.477 0.00 0.00 SOLV ATOM 14975 H1 TIP3 2994 -22.048 5.692 -8.571 0.00 0.00 SOLV ATOM 14976 H2 TIP3 2994 -21.439 6.847 -9.382 0.00 0.00 SOLV ATOM 14977 OH2 TIP3 2995 18.002 -19.283 22.673 0.00 0.00 SOLV ATOM 14978 H1 TIP3 2995 18.688 -19.655 23.205 0.00 0.00 SOLV ATOM 14979 H2 TIP3 2995 18.456 -18.590 22.134 0.00 0.00 SOLV ATOM 14980 OH2 TIP3 2996 -13.151 -39.132 26.593 0.00 0.00 SOLV ATOM 14981 H1 TIP3 2996 -13.830 -39.280 27.282 0.00 0.00 SOLV ATOM 14982 H2 TIP3 2996 -13.597 -38.581 25.908 0.00 0.00 SOLV ATOM 14983 OH2 TIP3 2997 18.872 -19.496 18.615 0.00 0.00 SOLV ATOM 14984 H1 TIP3 2997 19.609 -19.335 18.030 0.00 0.00 SOLV ATOM 14985 H2 TIP3 2997 19.018 -18.939 19.393 0.00 0.00 SOLV ATOM 14986 OH2 TIP3 2998 -26.206 -8.818 8.943 0.00 0.00 SOLV ATOM 14987 H1 TIP3 2998 -26.123 -8.086 8.341 0.00 0.00 SOLV ATOM 14988 H2 TIP3 2998 -25.357 -9.282 8.835 0.00 0.00 SOLV ATOM 14989 OH2 TIP3 2999 -27.780 -24.506 20.511 0.00 0.00 SOLV ATOM 14990 H1 TIP3 2999 -28.109 -23.617 20.706 0.00 0.00 SOLV ATOM 14991 H2 TIP3 2999 -27.944 -25.082 21.273 0.00 0.00 SOLV ATOM 14992 OH2 TIP3 3000 17.823 -17.157 24.533 0.00 0.00 SOLV ATOM 14993 H1 TIP3 3000 18.137 -17.788 23.915 0.00 0.00 SOLV ATOM 14994 H2 TIP3 3000 17.741 -16.327 24.037 0.00 0.00 SOLV ATOM 14995 OH2 TIP3 3001 -31.661 -10.587 25.443 0.00 0.00 SOLV ATOM 14996 H1 TIP3 3001 -31.709 -11.275 26.128 0.00 0.00 SOLV ATOM 14997 H2 TIP3 3001 -30.895 -10.886 24.931 0.00 0.00 SOLV ATOM 14998 OH2 TIP3 3002 -24.808 -26.597 11.202 0.00 0.00 SOLV ATOM 14999 H1 TIP3 3002 -24.637 -26.119 12.042 0.00 0.00 SOLV ATOM 15000 H2 TIP3 3002 -24.573 -25.935 10.505 0.00 0.00 SOLV ATOM 15001 OH2 TIP3 3003 -27.460 -26.780 10.168 0.00 0.00 SOLV ATOM 15002 H1 TIP3 3003 -28.035 -26.525 10.881 0.00 0.00 SOLV ATOM 15003 H2 TIP3 3003 -26.572 -26.596 10.494 0.00 0.00 SOLV ATOM 15004 OH2 TIP3 3004 -35.803 -11.260 27.932 0.00 0.00 SOLV ATOM 15005 H1 TIP3 3004 -35.483 -10.512 27.448 0.00 0.00 SOLV ATOM 15006 H2 TIP3 3004 -36.762 -11.048 28.193 0.00 0.00 SOLV ATOM 15007 OH2 TIP3 3005 22.226 -25.264 30.302 0.00 0.00 SOLV ATOM 15008 H1 TIP3 3005 22.816 -25.445 29.585 0.00 0.00 SOLV ATOM 15009 H2 TIP3 3005 22.482 -25.921 30.908 0.00 0.00 SOLV ATOM 15010 OH2 TIP3 3006 -25.674 -22.032 38.821 0.00 0.00 SOLV ATOM 15011 H1 TIP3 3006 -26.547 -22.264 38.347 0.00 0.00 SOLV ATOM 15012 H2 TIP3 3006 -25.932 -21.380 39.452 0.00 0.00 SOLV ATOM 15013 OH2 TIP3 3007 -6.499 -5.033 39.294 0.00 0.00 SOLV ATOM 15014 H1 TIP3 3007 -6.033 -5.193 38.478 0.00 0.00 SOLV ATOM 15015 H2 TIP3 3007 -5.842 -5.185 40.000 0.00 0.00 SOLV ATOM 15016 OH2 TIP3 3008 -34.016 -14.843 30.468 0.00 0.00 SOLV ATOM 15017 H1 TIP3 3008 -34.782 -14.915 29.877 0.00 0.00 SOLV ATOM 15018 H2 TIP3 3008 -34.284 -15.392 31.219 0.00 0.00 SOLV ATOM 15019 OH2 TIP3 3009 -14.756 -29.207 37.075 0.00 0.00 SOLV ATOM 15020 H1 TIP3 3009 -13.922 -29.418 36.573 0.00 0.00 SOLV ATOM 15021 H2 TIP3 3009 -15.194 -28.444 36.607 0.00 0.00 SOLV ATOM 15022 OH2 TIP3 3010 -26.300 -19.823 40.494 0.00 0.00 SOLV ATOM 15023 H1 TIP3 3010 -26.425 -20.113 41.415 0.00 0.00 SOLV ATOM 15024 H2 TIP3 3010 -27.231 -19.817 40.167 0.00 0.00 SOLV ATOM 15025 OH2 TIP3 3011 19.973 -16.675 40.961 0.00 0.00 SOLV ATOM 15026 H1 TIP3 3011 20.725 -16.698 41.571 0.00 0.00 SOLV ATOM 15027 H2 TIP3 3011 19.788 -17.630 41.063 0.00 0.00 SOLV ATOM 15028 OH2 TIP3 3012 23.416 -1.972 10.935 0.00 0.00 SOLV ATOM 15029 H1 TIP3 3012 23.600 -2.840 10.492 0.00 0.00 SOLV ATOM 15030 H2 TIP3 3012 24.237 -1.849 11.435 0.00 0.00 SOLV ATOM 15031 OH2 TIP3 3013 14.549 -19.085 19.480 0.00 0.00 SOLV ATOM 15032 H1 TIP3 3013 15.425 -19.388 19.796 0.00 0.00 SOLV ATOM 15033 H2 TIP3 3013 14.266 -19.809 18.948 0.00 0.00 SOLV ATOM 15034 OH2 TIP3 3014 -31.914 -11.372 18.281 0.00 0.00 SOLV ATOM 15035 H1 TIP3 3014 -32.399 -10.537 18.087 0.00 0.00 SOLV ATOM 15036 H2 TIP3 3014 -31.805 -11.317 19.283 0.00 0.00 SOLV ATOM 15037 OH2 TIP3 3015 21.059 -7.965 30.354 0.00 0.00 SOLV ATOM 15038 H1 TIP3 3015 21.086 -8.901 30.614 0.00 0.00 SOLV ATOM 15039 H2 TIP3 3015 21.567 -7.524 31.009 0.00 0.00 SOLV ATOM 15040 OH2 TIP3 3016 -24.493 -31.830 28.426 0.00 0.00 SOLV ATOM 15041 H1 TIP3 3016 -23.774 -31.994 27.714 0.00 0.00 SOLV ATOM 15042 H2 TIP3 3016 -24.970 -32.703 28.502 0.00 0.00 SOLV ATOM 15043 OH2 TIP3 3017 13.730 4.342 36.328 0.00 0.00 SOLV ATOM 15044 H1 TIP3 3017 14.028 3.763 37.028 0.00 0.00 SOLV ATOM 15045 H2 TIP3 3017 14.501 4.631 35.792 0.00 0.00 SOLV ATOM 15046 OH2 TIP3 3018 -29.069 -12.465 39.806 0.00 0.00 SOLV ATOM 15047 H1 TIP3 3018 -29.561 -12.827 40.567 0.00 0.00 SOLV ATOM 15048 H2 TIP3 3018 -28.757 -13.277 39.264 0.00 0.00 SOLV ATOM 15049 OH2 TIP3 3019 18.827 -6.418 31.889 0.00 0.00 SOLV ATOM 15050 H1 TIP3 3019 19.298 -7.286 31.563 0.00 0.00 SOLV ATOM 15051 H2 TIP3 3019 19.489 -5.825 32.015 0.00 0.00 SOLV ATOM 15052 OH2 TIP3 3020 -34.009 -8.331 12.569 0.00 0.00 SOLV ATOM 15053 H1 TIP3 3020 -34.093 -8.114 13.501 0.00 0.00 SOLV ATOM 15054 H2 TIP3 3020 -34.758 -7.840 12.143 0.00 0.00 SOLV ATOM 15055 OH2 TIP3 3021 -16.961 -26.319 32.680 0.00 0.00 SOLV ATOM 15056 H1 TIP3 3021 -17.326 -25.699 33.281 0.00 0.00 SOLV ATOM 15057 H2 TIP3 3021 -17.096 -25.895 31.780 0.00 0.00 SOLV ATOM 15058 OH2 TIP3 3022 3.457 -30.477 17.163 0.00 0.00 SOLV ATOM 15059 H1 TIP3 3022 3.578 -29.903 16.348 0.00 0.00 SOLV ATOM 15060 H2 TIP3 3022 3.863 -29.938 17.839 0.00 0.00 SOLV ATOM 15061 OH2 TIP3 3023 22.950 -12.829 30.957 0.00 0.00 SOLV ATOM 15062 H1 TIP3 3023 23.517 -12.654 31.708 0.00 0.00 SOLV ATOM 15063 H2 TIP3 3023 23.562 -13.146 30.252 0.00 0.00 SOLV ATOM 15064 OH2 TIP3 3024 -33.565 -17.884 27.519 0.00 0.00 SOLV ATOM 15065 H1 TIP3 3024 -34.422 -17.736 27.086 0.00 0.00 SOLV ATOM 15066 H2 TIP3 3024 -33.686 -17.458 28.434 0.00 0.00 SOLV ATOM 15067 OH2 TIP3 3025 20.722 -16.608 28.588 0.00 0.00 SOLV ATOM 15068 H1 TIP3 3025 19.853 -16.232 28.361 0.00 0.00 SOLV ATOM 15069 H2 TIP3 3025 21.276 -16.226 27.917 0.00 0.00 SOLV ATOM 15070 OH2 TIP3 3026 17.501 2.270 32.630 0.00 0.00 SOLV ATOM 15071 H1 TIP3 3026 16.851 2.609 31.982 0.00 0.00 SOLV ATOM 15072 H2 TIP3 3026 17.495 1.297 32.589 0.00 0.00 SOLV ATOM 15073 OH2 TIP3 3027 17.296 -2.531 11.066 0.00 0.00 SOLV ATOM 15074 H1 TIP3 3027 18.158 -2.134 10.848 0.00 0.00 SOLV ATOM 15075 H2 TIP3 3027 16.874 -2.420 10.163 0.00 0.00 SOLV ATOM 15076 OH2 TIP3 3028 15.606 6.571 -5.297 0.00 0.00 SOLV ATOM 15077 H1 TIP3 3028 15.642 6.771 -4.358 0.00 0.00 SOLV ATOM 15078 H2 TIP3 3028 16.470 6.439 -5.558 0.00 0.00 SOLV ATOM 15079 OH2 TIP3 3029 21.170 2.280 9.948 0.00 0.00 SOLV ATOM 15080 H1 TIP3 3029 21.133 1.940 9.010 0.00 0.00 SOLV ATOM 15081 H2 TIP3 3029 22.098 2.428 10.116 0.00 0.00 SOLV ATOM 15082 OH2 TIP3 3030 20.029 -19.686 13.366 0.00 0.00 SOLV ATOM 15083 H1 TIP3 3030 20.904 -19.224 13.288 0.00 0.00 SOLV ATOM 15084 H2 TIP3 3030 19.913 -19.630 14.331 0.00 0.00 SOLV ATOM 15085 OH2 TIP3 3031 17.953 -15.637 15.658 0.00 0.00 SOLV ATOM 15086 H1 TIP3 3031 17.426 -14.861 15.411 0.00 0.00 SOLV ATOM 15087 H2 TIP3 3031 18.664 -15.725 14.998 0.00 0.00 SOLV ATOM 15088 OH2 TIP3 3032 -29.563 -15.205 27.368 0.00 0.00 SOLV ATOM 15089 H1 TIP3 3032 -30.108 -15.371 26.586 0.00 0.00 SOLV ATOM 15090 H2 TIP3 3032 -30.124 -15.279 28.179 0.00 0.00 SOLV ATOM 15091 OH2 TIP3 3033 -34.200 -11.884 30.072 0.00 0.00 SOLV ATOM 15092 H1 TIP3 3033 -34.097 -12.862 30.247 0.00 0.00 SOLV ATOM 15093 H2 TIP3 3033 -34.771 -11.831 29.328 0.00 0.00 SOLV ATOM 15094 OH2 TIP3 3034 -26.074 -14.716 32.104 0.00 0.00 SOLV ATOM 15095 H1 TIP3 3034 -26.925 -14.790 31.672 0.00 0.00 SOLV ATOM 15096 H2 TIP3 3034 -25.677 -13.854 31.759 0.00 0.00 SOLV ATOM 15097 OH2 TIP3 3035 2.098 -29.492 29.859 0.00 0.00 SOLV ATOM 15098 H1 TIP3 3035 1.610 -29.254 30.677 0.00 0.00 SOLV ATOM 15099 H2 TIP3 3035 1.991 -30.467 29.830 0.00 0.00 SOLV ATOM 15100 OH2 TIP3 3036 -22.008 -4.065 40.765 0.00 0.00 SOLV ATOM 15101 H1 TIP3 3036 -22.761 -4.434 40.261 0.00 0.00 SOLV ATOM 15102 H2 TIP3 3036 -22.033 -3.109 40.377 0.00 0.00 SOLV ATOM 15103 OH2 TIP3 3037 -24.990 -11.287 38.622 0.00 0.00 SOLV ATOM 15104 H1 TIP3 3037 -24.036 -11.475 38.368 0.00 0.00 SOLV ATOM 15105 H2 TIP3 3037 -25.293 -10.733 37.851 0.00 0.00 SOLV ATOM 15106 OH2 TIP3 3038 -37.118 -0.367 13.463 0.00 0.00 SOLV ATOM 15107 H1 TIP3 3038 -36.269 -0.884 13.401 0.00 0.00 SOLV ATOM 15108 H2 TIP3 3038 -36.921 0.242 14.157 0.00 0.00 SOLV ATOM 15109 OH2 TIP3 3039 14.275 -5.642 24.002 0.00 0.00 SOLV ATOM 15110 H1 TIP3 3039 13.343 -5.790 23.867 0.00 0.00 SOLV ATOM 15111 H2 TIP3 3039 14.580 -6.534 24.335 0.00 0.00 SOLV ATOM 15112 OH2 TIP3 3040 16.460 -11.105 11.184 0.00 0.00 SOLV ATOM 15113 H1 TIP3 3040 16.503 -10.127 11.059 0.00 0.00 SOLV ATOM 15114 H2 TIP3 3040 15.551 -11.203 11.043 0.00 0.00 SOLV ATOM 15115 OH2 TIP3 3041 16.515 -3.738 31.973 0.00 0.00 SOLV ATOM 15116 H1 TIP3 3041 16.628 -4.639 32.306 0.00 0.00 SOLV ATOM 15117 H2 TIP3 3041 17.374 -3.394 32.247 0.00 0.00 SOLV ATOM 15118 OH2 TIP3 3042 24.132 0.671 13.128 0.00 0.00 SOLV ATOM 15119 H1 TIP3 3042 24.465 1.065 12.270 0.00 0.00 SOLV ATOM 15120 H2 TIP3 3042 24.623 -0.144 13.164 0.00 0.00 SOLV ATOM 15121 OH2 TIP3 3043 -33.522 -5.203 11.603 0.00 0.00 SOLV ATOM 15122 H1 TIP3 3043 -34.139 -5.847 11.410 0.00 0.00 SOLV ATOM 15123 H2 TIP3 3043 -33.487 -4.581 10.878 0.00 0.00 SOLV ATOM 15124 OH2 TIP3 3044 16.673 -7.273 27.363 0.00 0.00 SOLV ATOM 15125 H1 TIP3 3044 16.424 -6.662 26.652 0.00 0.00 SOLV ATOM 15126 H2 TIP3 3044 15.834 -7.585 27.641 0.00 0.00 SOLV ATOM 15127 OH2 TIP3 3045 -32.531 1.366 16.551 0.00 0.00 SOLV ATOM 15128 H1 TIP3 3045 -32.186 0.595 16.120 0.00 0.00 SOLV ATOM 15129 H2 TIP3 3045 -33.360 1.111 16.946 0.00 0.00 SOLV ATOM 15130 OH2 TIP3 3046 -29.387 -14.168 23.365 0.00 0.00 SOLV ATOM 15131 H1 TIP3 3046 -29.331 -15.125 23.625 0.00 0.00 SOLV ATOM 15132 H2 TIP3 3046 -30.152 -13.893 23.806 0.00 0.00 SOLV ATOM 15133 OH2 TIP3 3047 3.294 -7.771 44.687 0.00 0.00 SOLV ATOM 15134 H1 TIP3 3047 3.331 -8.257 45.462 0.00 0.00 SOLV ATOM 15135 H2 TIP3 3047 3.132 -8.501 44.013 0.00 0.00 SOLV ATOM 15136 OH2 TIP3 3048 -11.036 -11.195 10.480 0.00 0.00 SOLV ATOM 15137 H1 TIP3 3048 -10.540 -10.979 9.661 0.00 0.00 SOLV ATOM 15138 H2 TIP3 3048 -10.382 -11.765 10.942 0.00 0.00 SOLV ATOM 15139 OH2 TIP3 3049 -21.600 -9.584 38.451 0.00 0.00 SOLV ATOM 15140 H1 TIP3 3049 -21.618 -10.552 38.767 0.00 0.00 SOLV ATOM 15141 H2 TIP3 3049 -21.105 -9.642 37.639 0.00 0.00 SOLV ATOM 15142 OH2 TIP3 3050 -11.568 14.774 21.504 0.00 0.00 SOLV ATOM 15143 H1 TIP3 3050 -12.200 14.253 21.018 0.00 0.00 SOLV ATOM 15144 H2 TIP3 3050 -12.078 15.173 22.271 0.00 0.00 SOLV ATOM 15145 OH2 TIP3 3051 -34.397 -11.932 21.076 0.00 0.00 SOLV ATOM 15146 H1 TIP3 3051 -34.152 -12.330 21.870 0.00 0.00 SOLV ATOM 15147 H2 TIP3 3051 -34.286 -10.964 21.284 0.00 0.00 SOLV ATOM 15148 OH2 TIP3 3052 23.826 -4.900 12.668 0.00 0.00 SOLV ATOM 15149 H1 TIP3 3052 23.225 -4.092 12.778 0.00 0.00 SOLV ATOM 15150 H2 TIP3 3052 24.003 -4.909 11.668 0.00 0.00 SOLV ATOM 15151 OH2 TIP3 3053 11.058 -5.982 47.244 0.00 0.00 SOLV ATOM 15152 H1 TIP3 3053 10.603 -6.817 47.340 0.00 0.00 SOLV ATOM 15153 H2 TIP3 3053 10.463 -5.343 47.593 0.00 0.00 SOLV ATOM 15154 OH2 TIP3 3054 -33.340 -2.719 25.390 0.00 0.00 SOLV ATOM 15155 H1 TIP3 3054 -33.052 -3.480 25.830 0.00 0.00 SOLV ATOM 15156 H2 TIP3 3054 -33.771 -3.033 24.562 0.00 0.00 SOLV ATOM 15157 OH2 TIP3 3055 -37.704 4.518 21.455 0.00 0.00 SOLV ATOM 15158 H1 TIP3 3055 -38.254 4.622 20.666 0.00 0.00 SOLV ATOM 15159 H2 TIP3 3055 -37.687 5.452 21.772 0.00 0.00 SOLV ATOM 15160 OH2 TIP3 3056 22.549 -1.675 8.135 0.00 0.00 SOLV ATOM 15161 H1 TIP3 3056 23.164 -1.947 8.838 0.00 0.00 SOLV ATOM 15162 H2 TIP3 3056 22.756 -2.356 7.424 0.00 0.00 SOLV ATOM 15163 OH2 TIP3 3057 21.084 -4.188 23.483 0.00 0.00 SOLV ATOM 15164 H1 TIP3 3057 21.925 -4.540 23.231 0.00 0.00 SOLV ATOM 15165 H2 TIP3 3057 20.667 -3.868 22.628 0.00 0.00 SOLV ATOM 15166 OH2 TIP3 3058 -35.028 10.189 12.546 0.00 0.00 SOLV ATOM 15167 H1 TIP3 3058 -34.105 10.422 12.650 0.00 0.00 SOLV ATOM 15168 H2 TIP3 3058 -35.032 9.893 11.670 0.00 0.00 SOLV ATOM 15169 OH2 TIP3 3059 -34.907 12.265 28.193 0.00 0.00 SOLV ATOM 15170 H1 TIP3 3059 -35.859 12.482 28.306 0.00 0.00 SOLV ATOM 15171 H2 TIP3 3059 -34.740 12.799 27.394 0.00 0.00 SOLV ATOM 15172 OH2 TIP3 3060 -33.907 4.668 27.718 0.00 0.00 SOLV ATOM 15173 H1 TIP3 3060 -33.371 5.385 28.115 0.00 0.00 SOLV ATOM 15174 H2 TIP3 3060 -34.854 5.043 27.753 0.00 0.00 SOLV ATOM 15175 OH2 TIP3 3061 -34.657 -5.048 27.274 0.00 0.00 SOLV ATOM 15176 H1 TIP3 3061 -35.235 -5.084 28.013 0.00 0.00 SOLV ATOM 15177 H2 TIP3 3061 -33.844 -4.656 27.642 0.00 0.00 SOLV ATOM 15178 OH2 TIP3 3062 -28.899 9.788 31.155 0.00 0.00 SOLV ATOM 15179 H1 TIP3 3062 -29.117 9.382 32.026 0.00 0.00 SOLV ATOM 15180 H2 TIP3 3062 -28.517 10.632 31.453 0.00 0.00 SOLV ATOM 15181 OH2 TIP3 3063 -9.891 -22.846 45.312 0.00 0.00 SOLV ATOM 15182 H1 TIP3 3063 -9.141 -23.287 45.841 0.00 0.00 SOLV ATOM 15183 H2 TIP3 3063 -9.539 -22.034 44.943 0.00 0.00 SOLV ATOM 15184 OH2 TIP3 3064 -19.433 0.625 37.561 0.00 0.00 SOLV ATOM 15185 H1 TIP3 3064 -20.056 0.008 37.983 0.00 0.00 SOLV ATOM 15186 H2 TIP3 3064 -19.920 0.933 36.772 0.00 0.00 SOLV ATOM 15187 OH2 TIP3 3065 16.767 8.205 40.653 0.00 0.00 SOLV ATOM 15188 H1 TIP3 3065 17.110 7.706 41.406 0.00 0.00 SOLV ATOM 15189 H2 TIP3 3065 16.925 7.618 39.840 0.00 0.00 SOLV ATOM 15190 OH2 TIP3 3066 -34.592 7.906 9.838 0.00 0.00 SOLV ATOM 15191 H1 TIP3 3066 -33.886 8.436 9.392 0.00 0.00 SOLV ATOM 15192 H2 TIP3 3066 -34.135 7.293 10.481 0.00 0.00 SOLV ATOM 15193 OH2 TIP3 3067 18.644 12.438 21.899 0.00 0.00 SOLV ATOM 15194 H1 TIP3 3067 17.791 12.866 21.978 0.00 0.00 SOLV ATOM 15195 H2 TIP3 3067 19.133 13.128 21.526 0.00 0.00 SOLV ATOM 15196 OH2 TIP3 3068 -29.968 6.156 22.217 0.00 0.00 SOLV ATOM 15197 H1 TIP3 3068 -30.948 5.931 22.303 0.00 0.00 SOLV ATOM 15198 H2 TIP3 3068 -29.812 6.898 22.895 0.00 0.00 SOLV ATOM 15199 OH2 TIP3 3069 16.603 7.086 29.831 0.00 0.00 SOLV ATOM 15200 H1 TIP3 3069 16.788 6.353 30.481 0.00 0.00 SOLV ATOM 15201 H2 TIP3 3069 15.691 7.299 30.041 0.00 0.00 SOLV ATOM 15202 OH2 TIP3 3070 -33.518 -4.983 34.139 0.00 0.00 SOLV ATOM 15203 H1 TIP3 3070 -33.948 -5.813 34.210 0.00 0.00 SOLV ATOM 15204 H2 TIP3 3070 -33.310 -5.008 33.201 0.00 0.00 SOLV ATOM 15205 OH2 TIP3 3071 -36.573 7.130 15.649 0.00 0.00 SOLV ATOM 15206 H1 TIP3 3071 -35.887 6.444 15.980 0.00 0.00 SOLV ATOM 15207 H2 TIP3 3071 -36.013 7.883 15.603 0.00 0.00 SOLV ATOM 15208 OH2 TIP3 3072 -32.928 -3.350 28.401 0.00 0.00 SOLV ATOM 15209 H1 TIP3 3072 -32.524 -2.867 29.117 0.00 0.00 SOLV ATOM 15210 H2 TIP3 3072 -32.112 -3.594 27.958 0.00 0.00 SOLV ATOM 15211 OH2 TIP3 3073 -22.416 -5.136 43.325 0.00 0.00 SOLV ATOM 15212 H1 TIP3 3073 -22.287 -4.787 42.450 0.00 0.00 SOLV ATOM 15213 H2 TIP3 3073 -22.232 -6.051 43.250 0.00 0.00 SOLV ATOM 15214 OH2 TIP3 3074 23.675 -4.582 9.897 0.00 0.00 SOLV ATOM 15215 H1 TIP3 3074 23.031 -5.151 9.433 0.00 0.00 SOLV ATOM 15216 H2 TIP3 3074 24.308 -4.419 9.191 0.00 0.00 SOLV ATOM 15217 OH2 TIP3 3075 20.864 3.877 27.033 0.00 0.00 SOLV ATOM 15218 H1 TIP3 3075 20.270 3.939 26.287 0.00 0.00 SOLV ATOM 15219 H2 TIP3 3075 20.269 4.004 27.781 0.00 0.00 SOLV ATOM 15220 OH2 TIP3 3076 -30.860 9.823 28.962 0.00 0.00 SOLV ATOM 15221 H1 TIP3 3076 -30.298 9.866 29.791 0.00 0.00 SOLV ATOM 15222 H2 TIP3 3076 -31.723 10.003 29.305 0.00 0.00 SOLV ATOM 15223 OH2 TIP3 3077 -36.964 9.690 17.840 0.00 0.00 SOLV ATOM 15224 H1 TIP3 3077 -36.908 10.449 18.480 0.00 0.00 SOLV ATOM 15225 H2 TIP3 3077 -36.804 10.203 16.956 0.00 0.00 SOLV ATOM 15226 OH2 TIP3 3078 24.404 4.533 29.862 0.00 0.00 SOLV ATOM 15227 H1 TIP3 3078 23.677 4.874 30.382 0.00 0.00 SOLV ATOM 15228 H2 TIP3 3078 24.020 3.738 29.448 0.00 0.00 SOLV ATOM 15229 OH2 TIP3 3079 12.551 -1.748 -8.219 0.00 0.00 SOLV ATOM 15230 H1 TIP3 3079 12.358 -0.833 -8.049 0.00 0.00 SOLV ATOM 15231 H2 TIP3 3079 13.080 -2.047 -7.488 0.00 0.00 SOLV ATOM 15232 OH2 TIP3 3080 -30.781 7.887 26.600 0.00 0.00 SOLV ATOM 15233 H1 TIP3 3080 -31.699 7.672 26.714 0.00 0.00 SOLV ATOM 15234 H2 TIP3 3080 -30.621 8.573 27.316 0.00 0.00 SOLV ATOM 15235 OH2 TIP3 3081 -28.972 16.057 16.474 0.00 0.00 SOLV ATOM 15236 H1 TIP3 3081 -28.745 15.862 17.351 0.00 0.00 SOLV ATOM 15237 H2 TIP3 3081 -29.830 15.642 16.418 0.00 0.00 SOLV ATOM 15238 OH2 TIP3 3082 -28.803 8.525 13.027 0.00 0.00 SOLV ATOM 15239 H1 TIP3 3082 -29.135 8.336 13.907 0.00 0.00 SOLV ATOM 15240 H2 TIP3 3082 -29.627 8.455 12.497 0.00 0.00 SOLV ATOM 15241 OH2 TIP3 3083 21.153 14.556 31.103 0.00 0.00 SOLV ATOM 15242 H1 TIP3 3083 21.142 15.354 31.707 0.00 0.00 SOLV ATOM 15243 H2 TIP3 3083 22.060 14.417 30.776 0.00 0.00 SOLV ATOM 15244 OH2 TIP3 3084 -32.054 -0.763 8.628 0.00 0.00 SOLV ATOM 15245 H1 TIP3 3084 -31.685 -1.248 9.383 0.00 0.00 SOLV ATOM 15246 H2 TIP3 3084 -32.314 0.083 9.050 0.00 0.00 SOLV ATOM 15247 OH2 TIP3 3085 -33.975 5.979 13.655 0.00 0.00 SOLV ATOM 15248 H1 TIP3 3085 -34.859 6.491 13.601 0.00 0.00 SOLV ATOM 15249 H2 TIP3 3085 -34.135 5.443 14.470 0.00 0.00 SOLV ATOM 15250 OH2 TIP3 3086 -14.103 -36.906 8.099 0.00 0.00 SOLV ATOM 15251 H1 TIP3 3086 -14.486 -37.720 7.724 0.00 0.00 SOLV ATOM 15252 H2 TIP3 3086 -13.125 -37.073 7.973 0.00 0.00 SOLV ATOM 15253 OH2 TIP3 3087 -29.237 -29.386 17.378 0.00 0.00 SOLV ATOM 15254 H1 TIP3 3087 -28.721 -28.595 17.286 0.00 0.00 SOLV ATOM 15255 H2 TIP3 3087 -28.565 -30.095 17.321 0.00 0.00 SOLV ATOM 15256 OH2 TIP3 3088 21.264 10.130 37.673 0.00 0.00 SOLV ATOM 15257 H1 TIP3 3088 21.134 9.594 36.833 0.00 0.00 SOLV ATOM 15258 H2 TIP3 3088 20.497 9.906 38.188 0.00 0.00 SOLV ATOM 15259 OH2 TIP3 3089 -33.611 16.346 25.031 0.00 0.00 SOLV ATOM 15260 H1 TIP3 3089 -32.767 16.685 24.691 0.00 0.00 SOLV ATOM 15261 H2 TIP3 3089 -33.740 17.034 25.697 0.00 0.00 SOLV ATOM 15262 OH2 TIP3 3090 -35.522 8.586 27.780 0.00 0.00 SOLV ATOM 15263 H1 TIP3 3090 -36.040 7.714 27.858 0.00 0.00 SOLV ATOM 15264 H2 TIP3 3090 -36.247 9.127 27.326 0.00 0.00 SOLV ATOM 15265 OH2 TIP3 3091 -29.659 11.732 27.287 0.00 0.00 SOLV ATOM 15266 H1 TIP3 3091 -30.321 12.289 26.878 0.00 0.00 SOLV ATOM 15267 H2 TIP3 3091 -30.124 11.115 27.851 0.00 0.00 SOLV ATOM 15268 OH2 TIP3 3092 -24.368 3.340 29.575 0.00 0.00 SOLV ATOM 15269 H1 TIP3 3092 -23.442 3.505 29.296 0.00 0.00 SOLV ATOM 15270 H2 TIP3 3092 -24.558 4.103 30.102 0.00 0.00 SOLV ATOM 15271 OH2 TIP3 3093 -31.690 14.768 27.778 0.00 0.00 SOLV ATOM 15272 H1 TIP3 3093 -31.969 14.243 28.523 0.00 0.00 SOLV ATOM 15273 H2 TIP3 3093 -32.142 15.611 27.920 0.00 0.00 SOLV ATOM 15274 OH2 TIP3 3094 -34.367 13.537 9.619 0.00 0.00 SOLV ATOM 15275 H1 TIP3 3094 -34.737 12.651 9.579 0.00 0.00 SOLV ATOM 15276 H2 TIP3 3094 -33.649 13.403 10.267 0.00 0.00 SOLV ATOM 15277 OH2 TIP3 3095 -24.867 -36.407 24.328 0.00 0.00 SOLV ATOM 15278 H1 TIP3 3095 -25.648 -36.231 23.810 0.00 0.00 SOLV ATOM 15279 H2 TIP3 3095 -25.113 -37.124 24.931 0.00 0.00 SOLV ATOM 15280 OH2 TIP3 3096 -25.191 13.818 32.408 0.00 0.00 SOLV ATOM 15281 H1 TIP3 3096 -25.987 14.250 32.176 0.00 0.00 SOLV ATOM 15282 H2 TIP3 3096 -24.683 14.107 31.686 0.00 0.00 SOLV ATOM 15283 OH2 TIP3 3097 -22.559 -32.866 11.260 0.00 0.00 SOLV ATOM 15284 H1 TIP3 3097 -22.390 -32.512 10.387 0.00 0.00 SOLV ATOM 15285 H2 TIP3 3097 -21.887 -33.593 11.380 0.00 0.00 SOLV ATOM 15286 OH2 TIP3 3098 -24.679 -29.505 23.289 0.00 0.00 SOLV ATOM 15287 H1 TIP3 3098 -24.040 -29.841 22.612 0.00 0.00 SOLV ATOM 15288 H2 TIP3 3098 -24.146 -28.868 23.808 0.00 0.00 SOLV ATOM 15289 OH2 TIP3 3099 -24.992 -31.203 18.830 0.00 0.00 SOLV ATOM 15290 H1 TIP3 3099 -24.305 -31.298 18.103 0.00 0.00 SOLV ATOM 15291 H2 TIP3 3099 -25.814 -31.479 18.362 0.00 0.00 SOLV ATOM 15292 OH2 TIP3 3100 -31.575 16.089 18.322 0.00 0.00 SOLV ATOM 15293 H1 TIP3 3100 -31.611 15.267 18.855 0.00 0.00 SOLV ATOM 15294 H2 TIP3 3100 -30.931 16.583 18.801 0.00 0.00 SOLV ATOM 15295 OH2 TIP3 3101 -36.424 10.897 15.369 0.00 0.00 SOLV ATOM 15296 H1 TIP3 3101 -37.042 10.832 14.599 0.00 0.00 SOLV ATOM 15297 H2 TIP3 3101 -35.662 10.505 15.030 0.00 0.00 SOLV ATOM 15298 OH2 TIP3 3102 -27.337 -22.568 13.948 0.00 0.00 SOLV ATOM 15299 H1 TIP3 3102 -27.149 -22.739 14.901 0.00 0.00 SOLV ATOM 15300 H2 TIP3 3102 -27.645 -21.625 13.952 0.00 0.00 SOLV ATOM 15301 OH2 TIP3 3103 -25.973 -37.751 17.226 0.00 0.00 SOLV ATOM 15302 H1 TIP3 3103 -25.364 -38.047 16.524 0.00 0.00 SOLV ATOM 15303 H2 TIP3 3103 -26.071 -36.806 16.964 0.00 0.00 SOLV ATOM 15304 OH2 TIP3 3104 -21.470 -29.187 31.833 0.00 0.00 SOLV ATOM 15305 H1 TIP3 3104 -20.601 -28.749 31.751 0.00 0.00 SOLV ATOM 15306 H2 TIP3 3104 -21.245 -30.124 31.837 0.00 0.00 SOLV ATOM 15307 OH2 TIP3 3105 -26.196 1.719 11.125 0.00 0.00 SOLV ATOM 15308 H1 TIP3 3105 -26.971 1.103 11.234 0.00 0.00 SOLV ATOM 15309 H2 TIP3 3105 -26.521 2.556 11.515 0.00 0.00 SOLV ATOM 15310 OH2 TIP3 3106 -27.088 -22.538 9.705 0.00 0.00 SOLV ATOM 15311 H1 TIP3 3106 -27.333 -21.612 9.959 0.00 0.00 SOLV ATOM 15312 H2 TIP3 3106 -27.512 -23.084 10.420 0.00 0.00 SOLV ATOM 15313 OH2 TIP3 3107 -19.651 2.813 22.458 0.00 0.00 SOLV ATOM 15314 H1 TIP3 3107 -20.018 3.693 22.752 0.00 0.00 SOLV ATOM 15315 H2 TIP3 3107 -18.788 2.688 22.931 0.00 0.00 SOLV ATOM 15316 OH2 TIP3 3108 -28.171 -12.418 21.770 0.00 0.00 SOLV ATOM 15317 H1 TIP3 3108 -28.433 -13.251 22.221 0.00 0.00 SOLV ATOM 15318 H2 TIP3 3108 -27.907 -12.760 20.901 0.00 0.00 SOLV ATOM 15319 OH2 TIP3 3109 -23.690 -36.275 37.736 0.00 0.00 SOLV ATOM 15320 H1 TIP3 3109 -24.519 -35.839 38.010 0.00 0.00 SOLV ATOM 15321 H2 TIP3 3109 -23.943 -37.144 37.358 0.00 0.00 SOLV ATOM 15322 OH2 TIP3 3110 -17.986 -26.176 39.054 0.00 0.00 SOLV ATOM 15323 H1 TIP3 3110 -18.626 -26.341 38.317 0.00 0.00 SOLV ATOM 15324 H2 TIP3 3110 -17.351 -26.891 38.998 0.00 0.00 SOLV ATOM 15325 OH2 TIP3 3111 -26.397 -30.890 10.633 0.00 0.00 SOLV ATOM 15326 H1 TIP3 3111 -26.725 -31.345 11.383 0.00 0.00 SOLV ATOM 15327 H2 TIP3 3111 -27.158 -30.394 10.297 0.00 0.00 SOLV ATOM 15328 OH2 TIP3 3112 8.195 -22.635 18.782 0.00 0.00 SOLV ATOM 15329 H1 TIP3 3112 8.964 -22.111 18.505 0.00 0.00 SOLV ATOM 15330 H2 TIP3 3112 8.569 -23.417 19.155 0.00 0.00 SOLV ATOM 15331 OH2 TIP3 3113 19.463 12.566 38.401 0.00 0.00 SOLV ATOM 15332 H1 TIP3 3113 19.584 11.618 38.655 0.00 0.00 SOLV ATOM 15333 H2 TIP3 3113 19.475 12.639 37.455 0.00 0.00 SOLV ATOM 15334 OH2 TIP3 3114 15.892 -30.137 35.354 0.00 0.00 SOLV ATOM 15335 H1 TIP3 3114 15.616 -29.279 35.187 0.00 0.00 SOLV ATOM 15336 H2 TIP3 3114 15.645 -30.510 34.452 0.00 0.00 SOLV ATOM 15337 OH2 TIP3 3115 0.602 -17.173 42.355 0.00 0.00 SOLV ATOM 15338 H1 TIP3 3115 0.386 -18.083 42.248 0.00 0.00 SOLV ATOM 15339 H2 TIP3 3115 0.995 -17.112 43.248 0.00 0.00 SOLV ATOM 15340 OH2 TIP3 3116 -29.415 -25.879 26.875 0.00 0.00 SOLV ATOM 15341 H1 TIP3 3116 -28.587 -25.795 27.402 0.00 0.00 SOLV ATOM 15342 H2 TIP3 3116 -30.184 -25.734 27.515 0.00 0.00 SOLV ATOM 15343 OH2 TIP3 3117 -16.569 -24.504 30.743 0.00 0.00 SOLV ATOM 15344 H1 TIP3 3117 -16.937 -23.601 30.542 0.00 0.00 SOLV ATOM 15345 H2 TIP3 3117 -15.689 -24.467 30.265 0.00 0.00 SOLV ATOM 15346 OH2 TIP3 3118 -10.865 -26.820 14.425 0.00 0.00 SOLV ATOM 15347 H1 TIP3 3118 -10.786 -25.890 14.759 0.00 0.00 SOLV ATOM 15348 H2 TIP3 3118 -10.231 -27.335 15.020 0.00 0.00 SOLV ATOM 15349 OH2 TIP3 3119 -31.077 -10.090 29.933 0.00 0.00 SOLV ATOM 15350 H1 TIP3 3119 -31.245 -10.494 30.877 0.00 0.00 SOLV ATOM 15351 H2 TIP3 3119 -31.853 -10.283 29.367 0.00 0.00 SOLV ATOM 15352 OH2 TIP3 3120 -27.245 -23.206 16.940 0.00 0.00 SOLV ATOM 15353 H1 TIP3 3120 -28.174 -23.331 17.186 0.00 0.00 SOLV ATOM 15354 H2 TIP3 3120 -26.852 -23.249 17.794 0.00 0.00 SOLV ATOM 15355 OH2 TIP3 3121 -25.502 -22.689 45.135 0.00 0.00 SOLV ATOM 15356 H1 TIP3 3121 -25.891 -21.854 45.102 0.00 0.00 SOLV ATOM 15357 H2 TIP3 3121 -25.551 -23.025 44.253 0.00 0.00 SOLV ATOM 15358 OH2 TIP3 3122 -28.715 2.002 16.197 0.00 0.00 SOLV ATOM 15359 H1 TIP3 3122 -27.820 2.273 15.969 0.00 0.00 SOLV ATOM 15360 H2 TIP3 3122 -28.561 1.049 16.491 0.00 0.00 SOLV ATOM 15361 OH2 TIP3 3123 -31.293 -3.748 7.657 0.00 0.00 SOLV ATOM 15362 H1 TIP3 3123 -30.593 -4.395 7.510 0.00 0.00 SOLV ATOM 15363 H2 TIP3 3123 -31.733 -3.771 6.762 0.00 0.00 SOLV ATOM 15364 OH2 TIP3 3124 -30.286 -5.079 29.767 0.00 0.00 SOLV ATOM 15365 H1 TIP3 3124 -30.233 -4.123 30.122 0.00 0.00 SOLV ATOM 15366 H2 TIP3 3124 -30.831 -5.008 29.010 0.00 0.00 SOLV ATOM 15367 OH2 TIP3 3125 -7.488 -16.223 11.544 0.00 0.00 SOLV ATOM 15368 H1 TIP3 3125 -8.167 -16.231 12.239 0.00 0.00 SOLV ATOM 15369 H2 TIP3 3125 -7.637 -17.118 11.156 0.00 0.00 SOLV ATOM 15370 OH2 TIP3 3126 -33.309 -14.075 34.556 0.00 0.00 SOLV ATOM 15371 H1 TIP3 3126 -32.552 -14.147 33.918 0.00 0.00 SOLV ATOM 15372 H2 TIP3 3126 -32.810 -13.997 35.406 0.00 0.00 SOLV ATOM 15373 OH2 TIP3 3127 -21.176 -25.138 45.307 0.00 0.00 SOLV ATOM 15374 H1 TIP3 3127 -20.602 -25.783 44.803 0.00 0.00 SOLV ATOM 15375 H2 TIP3 3127 -20.477 -24.745 45.849 0.00 0.00 SOLV ATOM 15376 OH2 TIP3 3128 -10.163 -9.631 49.896 0.00 0.00 SOLV ATOM 15377 H1 TIP3 3128 -10.875 -9.131 49.464 0.00 0.00 SOLV ATOM 15378 H2 TIP3 3128 -10.169 -9.220 50.746 0.00 0.00 SOLV ATOM 15379 OH2 TIP3 3129 16.972 -6.801 12.063 0.00 0.00 SOLV ATOM 15380 H1 TIP3 3129 16.921 -7.316 12.858 0.00 0.00 SOLV ATOM 15381 H2 TIP3 3129 16.189 -6.214 12.144 0.00 0.00 SOLV ATOM 15382 OH2 TIP3 3130 18.227 -26.412 27.165 0.00 0.00 SOLV ATOM 15383 H1 TIP3 3130 17.629 -25.855 27.630 0.00 0.00 SOLV ATOM 15384 H2 TIP3 3130 18.731 -25.806 26.656 0.00 0.00 SOLV ATOM 15385 OH2 TIP3 3131 -21.168 -19.208 12.940 0.00 0.00 SOLV ATOM 15386 H1 TIP3 3131 -20.727 -18.638 13.613 0.00 0.00 SOLV ATOM 15387 H2 TIP3 3131 -21.633 -19.817 13.469 0.00 0.00 SOLV ATOM 15388 OH2 TIP3 3132 -28.151 -13.625 34.072 0.00 0.00 SOLV ATOM 15389 H1 TIP3 3132 -27.424 -14.133 33.770 0.00 0.00 SOLV ATOM 15390 H2 TIP3 3132 -28.757 -14.292 34.424 0.00 0.00 SOLV ATOM 15391 OH2 TIP3 3133 -28.868 -11.582 29.050 0.00 0.00 SOLV ATOM 15392 H1 TIP3 3133 -28.309 -11.901 29.806 0.00 0.00 SOLV ATOM 15393 H2 TIP3 3133 -29.671 -11.324 29.493 0.00 0.00 SOLV ATOM 15394 OH2 TIP3 3134 16.000 -15.816 43.497 0.00 0.00 SOLV ATOM 15395 H1 TIP3 3134 15.839 -16.754 43.710 0.00 0.00 SOLV ATOM 15396 H2 TIP3 3134 16.297 -15.493 44.389 0.00 0.00 SOLV ATOM 15397 OH2 TIP3 3135 -20.689 0.188 26.901 0.00 0.00 SOLV ATOM 15398 H1 TIP3 3135 -20.429 -0.112 27.808 0.00 0.00 SOLV ATOM 15399 H2 TIP3 3135 -21.622 0.038 26.977 0.00 0.00 SOLV ATOM 15400 OH2 TIP3 3136 -19.594 -30.826 13.997 0.00 0.00 SOLV ATOM 15401 H1 TIP3 3136 -20.321 -31.485 14.185 0.00 0.00 SOLV ATOM 15402 H2 TIP3 3136 -18.814 -31.182 14.384 0.00 0.00 SOLV ATOM 15403 OH2 TIP3 3137 -24.257 -5.640 35.242 0.00 0.00 SOLV ATOM 15404 H1 TIP3 3137 -24.148 -6.206 35.988 0.00 0.00 SOLV ATOM 15405 H2 TIP3 3137 -24.282 -4.799 35.644 0.00 0.00 SOLV ATOM 15406 OH2 TIP3 3138 -19.948 -34.510 11.712 0.00 0.00 SOLV ATOM 15407 H1 TIP3 3138 -20.336 -34.975 12.428 0.00 0.00 SOLV ATOM 15408 H2 TIP3 3138 -19.209 -33.994 12.167 0.00 0.00 SOLV ATOM 15409 OH2 TIP3 3139 -29.935 -20.184 31.948 0.00 0.00 SOLV ATOM 15410 H1 TIP3 3139 -30.687 -20.475 32.420 0.00 0.00 SOLV ATOM 15411 H2 TIP3 3139 -29.280 -20.921 32.022 0.00 0.00 SOLV ATOM 15412 OH2 TIP3 3140 16.244 -18.694 14.815 0.00 0.00 SOLV ATOM 15413 H1 TIP3 3140 16.606 -19.172 14.018 0.00 0.00 SOLV ATOM 15414 H2 TIP3 3140 15.646 -17.970 14.483 0.00 0.00 SOLV ATOM 15415 OH2 TIP3 3141 -32.893 -19.643 32.598 0.00 0.00 SOLV ATOM 15416 H1 TIP3 3141 -33.419 -19.271 33.314 0.00 0.00 SOLV ATOM 15417 H2 TIP3 3141 -32.572 -20.586 32.965 0.00 0.00 SOLV ATOM 15418 OH2 TIP3 3142 -29.926 -11.778 34.687 0.00 0.00 SOLV ATOM 15419 H1 TIP3 3142 -29.769 -11.451 35.640 0.00 0.00 SOLV ATOM 15420 H2 TIP3 3142 -29.247 -12.549 34.492 0.00 0.00 SOLV ATOM 15421 OH2 TIP3 3143 12.669 -22.145 39.258 0.00 0.00 SOLV ATOM 15422 H1 TIP3 3143 12.737 -23.075 39.013 0.00 0.00 SOLV ATOM 15423 H2 TIP3 3143 11.753 -22.023 39.614 0.00 0.00 SOLV ATOM 15424 OH2 TIP3 3144 -11.845 -21.719 55.042 0.00 0.00 SOLV ATOM 15425 H1 TIP3 3144 -12.001 -20.778 54.762 0.00 0.00 SOLV ATOM 15426 H2 TIP3 3144 -12.740 -22.153 54.868 0.00 0.00 SOLV ATOM 15427 OH2 TIP3 3145 -18.713 -8.981 44.892 0.00 0.00 SOLV ATOM 15428 H1 TIP3 3145 -18.217 -8.179 44.973 0.00 0.00 SOLV ATOM 15429 H2 TIP3 3145 -18.923 -9.173 45.776 0.00 0.00 SOLV ATOM 15430 OH2 TIP3 3146 -22.606 -6.714 11.566 0.00 0.00 SOLV ATOM 15431 H1 TIP3 3146 -22.907 -6.465 10.637 0.00 0.00 SOLV ATOM 15432 H2 TIP3 3146 -21.652 -6.817 11.379 0.00 0.00 SOLV ATOM 15433 OH2 TIP3 3147 -30.741 0.203 18.997 0.00 0.00 SOLV ATOM 15434 H1 TIP3 3147 -30.390 0.789 18.270 0.00 0.00 SOLV ATOM 15435 H2 TIP3 3147 -29.979 -0.407 19.131 0.00 0.00 SOLV ATOM 15436 OH2 TIP3 3148 -33.182 -1.657 21.855 0.00 0.00 SOLV ATOM 15437 H1 TIP3 3148 -33.738 -0.901 21.933 0.00 0.00 SOLV ATOM 15438 H2 TIP3 3148 -32.552 -1.503 22.601 0.00 0.00 SOLV ATOM 15439 OH2 TIP3 3149 -30.822 -6.662 20.051 0.00 0.00 SOLV ATOM 15440 H1 TIP3 3149 -31.385 -6.949 20.803 0.00 0.00 SOLV ATOM 15441 H2 TIP3 3149 -31.350 -7.048 19.296 0.00 0.00 SOLV ATOM 15442 OH2 TIP3 3150 18.504 -9.652 32.774 0.00 0.00 SOLV ATOM 15443 H1 TIP3 3150 19.132 -9.163 33.269 0.00 0.00 SOLV ATOM 15444 H2 TIP3 3150 18.854 -10.552 32.839 0.00 0.00 SOLV ATOM 15445 OH2 TIP3 3151 -4.703 -5.543 41.414 0.00 0.00 SOLV ATOM 15446 H1 TIP3 3151 -4.200 -6.044 40.695 0.00 0.00 SOLV ATOM 15447 H2 TIP3 3151 -4.405 -5.912 42.258 0.00 0.00 SOLV ATOM 15448 OH2 TIP3 3152 -33.736 -8.308 37.337 0.00 0.00 SOLV ATOM 15449 H1 TIP3 3152 -32.842 -8.598 37.051 0.00 0.00 SOLV ATOM 15450 H2 TIP3 3152 -34.128 -7.872 36.576 0.00 0.00 SOLV ATOM 15451 OH2 TIP3 3153 0.745 -27.692 41.352 0.00 0.00 SOLV ATOM 15452 H1 TIP3 3153 1.693 -27.725 41.504 0.00 0.00 SOLV ATOM 15453 H2 TIP3 3153 0.498 -27.040 42.085 0.00 0.00 SOLV ATOM 15454 OH2 TIP3 3154 21.380 -10.760 30.816 0.00 0.00 SOLV ATOM 15455 H1 TIP3 3154 20.655 -11.288 31.132 0.00 0.00 SOLV ATOM 15456 H2 TIP3 3154 22.112 -11.404 30.875 0.00 0.00 SOLV ATOM 15457 OH2 TIP3 3155 -26.856 -21.288 42.736 0.00 0.00 SOLV ATOM 15458 H1 TIP3 3155 -27.487 -21.357 43.481 0.00 0.00 SOLV ATOM 15459 H2 TIP3 3155 -27.061 -21.989 42.146 0.00 0.00 SOLV ATOM 15460 OH2 TIP3 3156 -20.112 -6.758 47.961 0.00 0.00 SOLV ATOM 15461 H1 TIP3 3156 -19.485 -6.388 47.264 0.00 0.00 SOLV ATOM 15462 H2 TIP3 3156 -19.468 -7.182 48.578 0.00 0.00 SOLV ATOM 15463 OH2 TIP3 3157 -33.177 1.430 9.745 0.00 0.00 SOLV ATOM 15464 H1 TIP3 3157 -33.237 1.407 10.723 0.00 0.00 SOLV ATOM 15465 H2 TIP3 3157 -33.351 2.353 9.535 0.00 0.00 SOLV ATOM 15466 OH2 TIP3 3158 -32.752 5.464 23.938 0.00 0.00 SOLV ATOM 15467 H1 TIP3 3158 -33.572 5.389 23.314 0.00 0.00 SOLV ATOM 15468 H2 TIP3 3158 -32.898 6.368 24.281 0.00 0.00 SOLV ATOM 15469 OH2 TIP3 3159 -33.889 -11.949 23.899 0.00 0.00 SOLV ATOM 15470 H1 TIP3 3159 -34.741 -12.267 24.170 0.00 0.00 SOLV ATOM 15471 H2 TIP3 3159 -33.803 -11.040 24.187 0.00 0.00 SOLV ATOM 15472 OH2 TIP3 3160 -27.981 0.101 21.372 0.00 0.00 SOLV ATOM 15473 H1 TIP3 3160 -27.465 0.559 20.712 0.00 0.00 SOLV ATOM 15474 H2 TIP3 3160 -27.569 0.180 22.253 0.00 0.00 SOLV ATOM 15475 OH2 TIP3 3161 -20.904 -2.721 -1.260 0.00 0.00 SOLV ATOM 15476 H1 TIP3 3161 -21.539 -3.384 -1.620 0.00 0.00 SOLV ATOM 15477 H2 TIP3 3161 -21.361 -2.327 -0.487 0.00 0.00 SOLV ATOM 15478 OH2 TIP3 3162 -25.220 -27.926 42.325 0.00 0.00 SOLV ATOM 15479 H1 TIP3 3162 -25.321 -28.138 43.216 0.00 0.00 SOLV ATOM 15480 H2 TIP3 3162 -24.250 -27.691 42.210 0.00 0.00 SOLV ATOM 15481 OH2 TIP3 3163 21.113 -20.227 38.007 0.00 0.00 SOLV ATOM 15482 H1 TIP3 3163 20.660 -21.012 38.313 0.00 0.00 SOLV ATOM 15483 H2 TIP3 3163 21.168 -19.712 38.830 0.00 0.00 SOLV ATOM 15484 OH2 TIP3 3164 -22.561 -0.352 43.762 0.00 0.00 SOLV ATOM 15485 H1 TIP3 3164 -22.782 -1.274 43.759 0.00 0.00 SOLV ATOM 15486 H2 TIP3 3164 -22.767 0.004 44.686 0.00 0.00 SOLV ATOM 15487 OH2 TIP3 3165 4.717 -0.558 31.108 0.00 0.00 SOLV ATOM 15488 H1 TIP3 3165 5.574 -0.247 31.004 0.00 0.00 SOLV ATOM 15489 H2 TIP3 3165 4.745 -1.482 30.698 0.00 0.00 SOLV ATOM 15490 OH2 TIP3 3166 -32.767 -10.228 10.755 0.00 0.00 SOLV ATOM 15491 H1 TIP3 3166 -32.201 -10.725 11.307 0.00 0.00 SOLV ATOM 15492 H2 TIP3 3166 -33.082 -9.529 11.376 0.00 0.00 SOLV ATOM 15493 OH2 TIP3 3167 -32.112 -6.798 15.781 0.00 0.00 SOLV ATOM 15494 H1 TIP3 3167 -32.105 -6.335 14.873 0.00 0.00 SOLV ATOM 15495 H2 TIP3 3167 -31.444 -6.249 16.219 0.00 0.00 SOLV ATOM 15496 OH2 TIP3 3168 -32.868 -3.451 17.108 0.00 0.00 SOLV ATOM 15497 H1 TIP3 3168 -33.721 -3.275 16.664 0.00 0.00 SOLV ATOM 15498 H2 TIP3 3168 -32.797 -2.720 17.753 0.00 0.00 SOLV ATOM 15499 OH2 TIP3 3169 -31.962 -4.579 23.666 0.00 0.00 SOLV ATOM 15500 H1 TIP3 3169 -31.150 -4.110 23.677 0.00 0.00 SOLV ATOM 15501 H2 TIP3 3169 -31.582 -5.386 23.316 0.00 0.00 SOLV ATOM 15502 OH2 TIP3 3170 -34.849 -12.876 18.576 0.00 0.00 SOLV ATOM 15503 H1 TIP3 3170 -34.748 -12.449 19.453 0.00 0.00 SOLV ATOM 15504 H2 TIP3 3170 -34.363 -12.304 17.931 0.00 0.00 SOLV ATOM 15505 OH2 TIP3 3171 23.298 3.286 14.836 0.00 0.00 SOLV ATOM 15506 H1 TIP3 3171 23.558 3.766 14.099 0.00 0.00 SOLV ATOM 15507 H2 TIP3 3171 23.566 2.406 14.573 0.00 0.00 SOLV ATOM 15508 OH2 TIP3 3172 -18.717 -9.688 47.647 0.00 0.00 SOLV ATOM 15509 H1 TIP3 3172 -18.459 -10.571 47.965 0.00 0.00 SOLV ATOM 15510 H2 TIP3 3172 -19.249 -9.288 48.359 0.00 0.00 SOLV ATOM 15511 OH2 TIP3 3173 -31.497 -9.286 36.076 0.00 0.00 SOLV ATOM 15512 H1 TIP3 3173 -31.010 -9.449 35.201 0.00 0.00 SOLV ATOM 15513 H2 TIP3 3173 -30.798 -9.009 36.753 0.00 0.00 SOLV ATOM 15514 OH2 TIP3 3174 13.657 -19.297 48.882 0.00 0.00 SOLV ATOM 15515 H1 TIP3 3174 14.247 -19.845 48.310 0.00 0.00 SOLV ATOM 15516 H2 TIP3 3174 13.137 -18.744 48.280 0.00 0.00 SOLV ATOM 15517 OH2 TIP3 3175 -29.107 -15.494 17.861 0.00 0.00 SOLV ATOM 15518 H1 TIP3 3175 -29.901 -15.373 18.330 0.00 0.00 SOLV ATOM 15519 H2 TIP3 3175 -28.648 -14.631 17.871 0.00 0.00 SOLV ATOM 15520 OH2 TIP3 3176 -20.305 -27.910 24.982 0.00 0.00 SOLV ATOM 15521 H1 TIP3 3176 -20.636 -28.405 25.765 0.00 0.00 SOLV ATOM 15522 H2 TIP3 3176 -19.531 -27.467 25.395 0.00 0.00 SOLV ATOM 15523 OH2 TIP3 3177 -36.092 -7.822 32.069 0.00 0.00 SOLV ATOM 15524 H1 TIP3 3177 -35.668 -8.665 32.328 0.00 0.00 SOLV ATOM 15525 H2 TIP3 3177 -36.770 -8.071 31.402 0.00 0.00 SOLV ATOM 15526 OH2 TIP3 3178 21.582 -11.963 28.174 0.00 0.00 SOLV ATOM 15527 H1 TIP3 3178 20.680 -12.217 27.875 0.00 0.00 SOLV ATOM 15528 H2 TIP3 3178 21.348 -11.446 28.991 0.00 0.00 SOLV ATOM 15529 OH2 TIP3 3179 -35.168 -4.484 31.257 0.00 0.00 SOLV ATOM 15530 H1 TIP3 3179 -34.719 -5.279 31.054 0.00 0.00 SOLV ATOM 15531 H2 TIP3 3179 -36.002 -4.765 31.588 0.00 0.00 SOLV ATOM 15532 OH2 TIP3 3180 -11.310 -19.950 15.067 0.00 0.00 SOLV ATOM 15533 H1 TIP3 3180 -12.289 -19.955 15.118 0.00 0.00 SOLV ATOM 15534 H2 TIP3 3180 -11.110 -19.988 16.026 0.00 0.00 SOLV ATOM 15535 OH2 TIP3 3181 -31.984 7.785 18.266 0.00 0.00 SOLV ATOM 15536 H1 TIP3 3181 -32.706 7.799 18.941 0.00 0.00 SOLV ATOM 15537 H2 TIP3 3181 -31.360 8.455 18.580 0.00 0.00 SOLV ATOM 15538 OH2 TIP3 3182 -29.544 -3.134 23.714 0.00 0.00 SOLV ATOM 15539 H1 TIP3 3182 -29.698 -2.156 23.686 0.00 0.00 SOLV ATOM 15540 H2 TIP3 3182 -28.737 -3.210 24.242 0.00 0.00 SOLV ATOM 15541 OH2 TIP3 3183 -1.042 -2.993 40.893 0.00 0.00 SOLV ATOM 15542 H1 TIP3 3183 -0.461 -3.330 41.615 0.00 0.00 SOLV ATOM 15543 H2 TIP3 3183 -1.424 -2.250 41.365 0.00 0.00 SOLV ATOM 15544 OH2 TIP3 3184 -23.268 -3.224 20.663 0.00 0.00 SOLV ATOM 15545 H1 TIP3 3184 -22.440 -3.245 20.164 0.00 0.00 SOLV ATOM 15546 H2 TIP3 3184 -23.975 -3.086 20.058 0.00 0.00 SOLV ATOM 15547 OH2 TIP3 3185 -32.512 11.274 26.187 0.00 0.00 SOLV ATOM 15548 H1 TIP3 3185 -32.715 10.654 25.526 0.00 0.00 SOLV ATOM 15549 H2 TIP3 3185 -32.744 10.819 27.080 0.00 0.00 SOLV ATOM 15550 OH2 TIP3 3186 -26.484 -0.899 4.825 0.00 0.00 SOLV ATOM 15551 H1 TIP3 3186 -27.002 -0.322 5.371 0.00 0.00 SOLV ATOM 15552 H2 TIP3 3186 -26.123 -0.269 4.169 0.00 0.00 SOLV ATOM 15553 OH2 TIP3 3187 18.334 -11.437 13.323 0.00 0.00 SOLV ATOM 15554 H1 TIP3 3187 19.033 -10.766 13.191 0.00 0.00 SOLV ATOM 15555 H2 TIP3 3187 17.690 -11.316 12.559 0.00 0.00 SOLV ATOM 15556 OH2 TIP3 3188 16.271 1.036 36.729 0.00 0.00 SOLV ATOM 15557 H1 TIP3 3188 15.717 0.679 35.986 0.00 0.00 SOLV ATOM 15558 H2 TIP3 3188 16.893 1.629 36.239 0.00 0.00 SOLV ATOM 15559 OH2 TIP3 3189 -37.548 14.049 19.781 0.00 0.00 SOLV ATOM 15560 H1 TIP3 3189 -37.899 13.733 18.962 0.00 0.00 SOLV ATOM 15561 H2 TIP3 3189 -38.283 14.546 20.167 0.00 0.00 SOLV ATOM 15562 OH2 TIP3 3190 -26.754 -9.545 32.162 0.00 0.00 SOLV ATOM 15563 H1 TIP3 3190 -27.161 -8.744 32.559 0.00 0.00 SOLV ATOM 15564 H2 TIP3 3190 -25.789 -9.480 32.174 0.00 0.00 SOLV ATOM 15565 OH2 TIP3 3191 -13.638 0.308 32.727 0.00 0.00 SOLV ATOM 15566 H1 TIP3 3191 -13.222 0.050 33.554 0.00 0.00 SOLV ATOM 15567 H2 TIP3 3191 -13.838 -0.549 32.316 0.00 0.00 SOLV ATOM 15568 OH2 TIP3 3192 13.396 11.376 11.264 0.00 0.00 SOLV ATOM 15569 H1 TIP3 3192 13.706 12.231 11.583 0.00 0.00 SOLV ATOM 15570 H2 TIP3 3192 14.187 10.850 11.155 0.00 0.00 SOLV ATOM 15571 OH2 TIP3 3193 -25.602 11.419 29.293 0.00 0.00 SOLV ATOM 15572 H1 TIP3 3193 -26.268 10.712 29.474 0.00 0.00 SOLV ATOM 15573 H2 TIP3 3193 -24.781 11.107 29.724 0.00 0.00 SOLV ATOM 15574 OH2 TIP3 3194 21.404 16.346 33.256 0.00 0.00 SOLV ATOM 15575 H1 TIP3 3194 21.395 15.685 33.990 0.00 0.00 SOLV ATOM 15576 H2 TIP3 3194 21.017 17.141 33.687 0.00 0.00 SOLV ATOM 15577 OH2 TIP3 3195 -34.759 14.181 26.374 0.00 0.00 SOLV ATOM 15578 H1 TIP3 3195 -34.098 14.894 26.198 0.00 0.00 SOLV ATOM 15579 H2 TIP3 3195 -35.678 14.626 26.333 0.00 0.00 SOLV ATOM 15580 OH2 TIP3 3196 -35.066 -1.638 30.319 0.00 0.00 SOLV ATOM 15581 H1 TIP3 3196 -35.728 -1.282 30.802 0.00 0.00 SOLV ATOM 15582 H2 TIP3 3196 -34.997 -2.590 30.548 0.00 0.00 SOLV ATOM 15583 OH2 TIP3 3197 5.043 15.211 27.220 0.00 0.00 SOLV ATOM 15584 H1 TIP3 3197 4.436 14.482 27.374 0.00 0.00 SOLV ATOM 15585 H2 TIP3 3197 5.029 15.402 26.246 0.00 0.00 SOLV ATOM 15586 OH2 TIP3 3198 -34.347 4.563 15.961 0.00 0.00 SOLV ATOM 15587 H1 TIP3 3198 -34.759 4.423 16.820 0.00 0.00 SOLV ATOM 15588 H2 TIP3 3198 -33.503 5.039 16.177 0.00 0.00 SOLV ATOM 15589 OH2 TIP3 3199 -33.401 8.197 25.297 0.00 0.00 SOLV ATOM 15590 H1 TIP3 3199 -34.166 8.271 25.861 0.00 0.00 SOLV ATOM 15591 H2 TIP3 3199 -33.559 8.778 24.587 0.00 0.00 SOLV ATOM 15592 OH2 TIP3 3200 -29.572 -2.133 12.149 0.00 0.00 SOLV ATOM 15593 H1 TIP3 3200 -29.111 -2.317 12.983 0.00 0.00 SOLV ATOM 15594 H2 TIP3 3200 -28.936 -2.362 11.477 0.00 0.00 SOLV ATOM 15595 OH2 TIP3 3201 17.342 -8.367 24.183 0.00 0.00 SOLV ATOM 15596 H1 TIP3 3201 17.714 -7.472 24.237 0.00 0.00 SOLV ATOM 15597 H2 TIP3 3201 18.090 -8.888 24.520 0.00 0.00 SOLV ATOM 15598 OH2 TIP3 3202 -1.311 -14.902 3.614 0.00 0.00 SOLV ATOM 15599 H1 TIP3 3202 -1.311 -14.384 2.840 0.00 0.00 SOLV ATOM 15600 H2 TIP3 3202 -0.510 -14.591 4.140 0.00 0.00 SOLV ATOM 15601 OH2 TIP3 3203 -37.799 4.629 15.763 0.00 0.00 SOLV ATOM 15602 H1 TIP3 3203 -37.994 5.293 16.385 0.00 0.00 SOLV ATOM 15603 H2 TIP3 3203 -37.839 5.082 14.913 0.00 0.00 SOLV ATOM 15604 OH2 TIP3 3204 22.017 16.046 8.917 0.00 0.00 SOLV ATOM 15605 H1 TIP3 3204 22.268 15.853 9.828 0.00 0.00 SOLV ATOM 15606 H2 TIP3 3204 21.489 16.845 9.067 0.00 0.00 SOLV ATOM 15607 OH2 TIP3 3205 2.109 26.545 -4.532 0.00 0.00 SOLV ATOM 15608 H1 TIP3 3205 2.764 26.072 -4.997 0.00 0.00 SOLV ATOM 15609 H2 TIP3 3205 2.250 26.245 -3.609 0.00 0.00 SOLV ATOM 15610 OH2 TIP3 3206 -36.476 7.702 12.439 0.00 0.00 SOLV ATOM 15611 H1 TIP3 3206 -36.499 7.666 11.448 0.00 0.00 SOLV ATOM 15612 H2 TIP3 3206 -36.412 8.678 12.578 0.00 0.00 SOLV ATOM 15613 OH2 TIP3 3207 22.821 8.514 27.267 0.00 0.00 SOLV ATOM 15614 H1 TIP3 3207 22.731 8.972 26.450 0.00 0.00 SOLV ATOM 15615 H2 TIP3 3207 22.838 7.567 27.029 0.00 0.00 SOLV ATOM 15616 OH2 TIP3 3208 13.677 11.646 39.991 0.00 0.00 SOLV ATOM 15617 H1 TIP3 3208 14.614 11.906 40.028 0.00 0.00 SOLV ATOM 15618 H2 TIP3 3208 13.404 12.003 39.128 0.00 0.00 SOLV ATOM 15619 OH2 TIP3 3209 -19.846 7.724 35.743 0.00 0.00 SOLV ATOM 15620 H1 TIP3 3209 -18.977 7.359 35.892 0.00 0.00 SOLV ATOM 15621 H2 TIP3 3209 -20.084 7.300 34.911 0.00 0.00 SOLV ATOM 15622 OH2 TIP3 3210 -28.438 12.753 31.641 0.00 0.00 SOLV ATOM 15623 H1 TIP3 3210 -29.172 13.359 31.696 0.00 0.00 SOLV ATOM 15624 H2 TIP3 3210 -28.036 13.059 30.797 0.00 0.00 SOLV ATOM 15625 OH2 TIP3 3211 -20.052 8.994 38.462 0.00 0.00 SOLV ATOM 15626 H1 TIP3 3211 -19.712 9.734 38.011 0.00 0.00 SOLV ATOM 15627 H2 TIP3 3211 -19.460 8.334 38.225 0.00 0.00 SOLV ATOM 15628 OH2 TIP3 3212 23.822 12.568 9.646 0.00 0.00 SOLV ATOM 15629 H1 TIP3 3212 23.627 12.382 8.731 0.00 0.00 SOLV ATOM 15630 H2 TIP3 3212 22.945 12.731 10.108 0.00 0.00 SOLV ATOM 15631 OH2 TIP3 3213 -31.300 13.774 25.249 0.00 0.00 SOLV ATOM 15632 H1 TIP3 3213 -31.704 12.929 25.379 0.00 0.00 SOLV ATOM 15633 H2 TIP3 3213 -31.643 14.327 26.007 0.00 0.00 SOLV ATOM 15634 OH2 TIP3 3214 20.046 7.682 40.126 0.00 0.00 SOLV ATOM 15635 H1 TIP3 3214 20.257 7.425 41.072 0.00 0.00 SOLV ATOM 15636 H2 TIP3 3214 20.449 6.926 39.634 0.00 0.00 SOLV ATOM 15637 OH2 TIP3 3215 -29.824 8.313 15.526 0.00 0.00 SOLV ATOM 15638 H1 TIP3 3215 -30.346 7.574 15.891 0.00 0.00 SOLV ATOM 15639 H2 TIP3 3215 -29.064 8.496 16.177 0.00 0.00 SOLV ATOM 15640 OH2 TIP3 3216 -18.990 -37.972 25.866 0.00 0.00 SOLV ATOM 15641 H1 TIP3 3216 -18.281 -37.939 25.121 0.00 0.00 SOLV ATOM 15642 H2 TIP3 3216 -18.410 -37.860 26.640 0.00 0.00 SOLV ATOM 15643 OH2 TIP3 3217 -21.601 -36.636 9.399 0.00 0.00 SOLV ATOM 15644 H1 TIP3 3217 -21.285 -37.501 9.017 0.00 0.00 SOLV ATOM 15645 H2 TIP3 3217 -21.909 -36.941 10.266 0.00 0.00 SOLV ATOM 15646 OH2 TIP3 3218 -16.835 -42.181 13.195 0.00 0.00 SOLV ATOM 15647 H1 TIP3 3218 -17.133 -42.390 12.293 0.00 0.00 SOLV ATOM 15648 H2 TIP3 3218 -17.638 -41.823 13.670 0.00 0.00 SOLV ATOM 15649 OH2 TIP3 3219 -28.207 -35.636 19.587 0.00 0.00 SOLV ATOM 15650 H1 TIP3 3219 -28.213 -35.452 18.642 0.00 0.00 SOLV ATOM 15651 H2 TIP3 3219 -29.005 -35.206 19.819 0.00 0.00 SOLV ATOM 15652 OH2 TIP3 3220 -27.289 2.235 19.403 0.00 0.00 SOLV ATOM 15653 H1 TIP3 3220 -28.138 2.544 19.669 0.00 0.00 SOLV ATOM 15654 H2 TIP3 3220 -27.025 2.737 18.612 0.00 0.00 SOLV ATOM 15655 OH2 TIP3 3221 -23.743 -19.319 41.095 0.00 0.00 SOLV ATOM 15656 H1 TIP3 3221 -23.802 -18.369 40.785 0.00 0.00 SOLV ATOM 15657 H2 TIP3 3221 -24.648 -19.583 40.803 0.00 0.00 SOLV ATOM 15658 OH2 TIP3 3222 -18.588 -41.394 20.085 0.00 0.00 SOLV ATOM 15659 H1 TIP3 3222 -19.148 -41.020 20.808 0.00 0.00 SOLV ATOM 15660 H2 TIP3 3222 -19.042 -42.231 19.913 0.00 0.00 SOLV ATOM 15661 OH2 TIP3 3223 -28.664 -34.095 16.769 0.00 0.00 SOLV ATOM 15662 H1 TIP3 3223 -29.151 -33.412 16.302 0.00 0.00 SOLV ATOM 15663 H2 TIP3 3223 -29.432 -34.625 17.190 0.00 0.00 SOLV ATOM 15664 OH2 TIP3 3224 19.412 9.397 33.715 0.00 0.00 SOLV ATOM 15665 H1 TIP3 3224 19.733 8.795 33.113 0.00 0.00 SOLV ATOM 15666 H2 TIP3 3224 20.179 10.061 33.767 0.00 0.00 SOLV ATOM 15667 OH2 TIP3 3225 -25.995 -34.474 26.552 0.00 0.00 SOLV ATOM 15668 H1 TIP3 3225 -25.258 -35.059 26.657 0.00 0.00 SOLV ATOM 15669 H2 TIP3 3225 -26.254 -34.547 25.608 0.00 0.00 SOLV ATOM 15670 OH2 TIP3 3226 -25.573 -35.101 20.837 0.00 0.00 SOLV ATOM 15671 H1 TIP3 3226 -25.402 -34.297 21.335 0.00 0.00 SOLV ATOM 15672 H2 TIP3 3226 -26.431 -34.968 20.413 0.00 0.00 SOLV ATOM 15673 OH2 TIP3 3227 -25.883 -32.658 22.740 0.00 0.00 SOLV ATOM 15674 H1 TIP3 3227 -26.810 -32.342 22.655 0.00 0.00 SOLV ATOM 15675 H2 TIP3 3227 -25.275 -31.920 22.370 0.00 0.00 SOLV ATOM 15676 OH2 TIP3 3228 -27.737 -25.487 14.746 0.00 0.00 SOLV ATOM 15677 H1 TIP3 3228 -26.917 -25.100 15.108 0.00 0.00 SOLV ATOM 15678 H2 TIP3 3228 -27.331 -26.197 14.158 0.00 0.00 SOLV ATOM 15679 OH2 TIP3 3229 -23.804 -30.962 21.197 0.00 0.00 SOLV ATOM 15680 H1 TIP3 3229 -23.508 -31.915 21.170 0.00 0.00 SOLV ATOM 15681 H2 TIP3 3229 -24.132 -30.918 20.274 0.00 0.00 SOLV ATOM 15682 OH2 TIP3 3230 -22.413 -33.224 34.376 0.00 0.00 SOLV ATOM 15683 H1 TIP3 3230 -23.159 -32.739 33.898 0.00 0.00 SOLV ATOM 15684 H2 TIP3 3230 -22.428 -34.174 34.094 0.00 0.00 SOLV ATOM 15685 OH2 TIP3 3231 -20.246 -22.723 29.349 0.00 0.00 SOLV ATOM 15686 H1 TIP3 3231 -20.814 -22.080 29.725 0.00 0.00 SOLV ATOM 15687 H2 TIP3 3231 -19.278 -22.341 29.415 0.00 0.00 SOLV ATOM 15688 OH2 TIP3 3232 -31.187 -23.381 22.149 0.00 0.00 SOLV ATOM 15689 H1 TIP3 3232 -30.344 -23.124 22.584 0.00 0.00 SOLV ATOM 15690 H2 TIP3 3232 -31.804 -22.855 22.695 0.00 0.00 SOLV ATOM 15691 OH2 TIP3 3233 5.110 -25.526 23.453 0.00 0.00 SOLV ATOM 15692 H1 TIP3 3233 5.264 -25.061 24.307 0.00 0.00 SOLV ATOM 15693 H2 TIP3 3233 4.518 -26.304 23.684 0.00 0.00 SOLV ATOM 15694 OH2 TIP3 3234 -24.543 15.581 25.361 0.00 0.00 SOLV ATOM 15695 H1 TIP3 3234 -24.152 15.295 26.181 0.00 0.00 SOLV ATOM 15696 H2 TIP3 3234 -25.128 16.324 25.561 0.00 0.00 SOLV ATOM 15697 OH2 TIP3 3235 -20.745 -23.017 10.549 0.00 0.00 SOLV ATOM 15698 H1 TIP3 3235 -20.528 -22.589 11.373 0.00 0.00 SOLV ATOM 15699 H2 TIP3 3235 -21.132 -23.902 10.746 0.00 0.00 SOLV ATOM 15700 OH2 TIP3 3236 -23.095 -20.857 13.867 0.00 0.00 SOLV ATOM 15701 H1 TIP3 3236 -23.826 -20.494 13.381 0.00 0.00 SOLV ATOM 15702 H2 TIP3 3236 -23.526 -21.528 14.399 0.00 0.00 SOLV ATOM 15703 OH2 TIP3 3237 -27.660 -35.440 23.896 0.00 0.00 SOLV ATOM 15704 H1 TIP3 3237 -27.600 -35.432 22.962 0.00 0.00 SOLV ATOM 15705 H2 TIP3 3237 -28.148 -34.594 24.052 0.00 0.00 SOLV ATOM 15706 OH2 TIP3 3238 -35.562 -17.446 30.239 0.00 0.00 SOLV ATOM 15707 H1 TIP3 3238 -36.377 -17.212 30.754 0.00 0.00 SOLV ATOM 15708 H2 TIP3 3238 -35.989 -18.086 29.599 0.00 0.00 SOLV ATOM 15709 OH2 TIP3 3239 -19.335 -23.680 47.397 0.00 0.00 SOLV ATOM 15710 H1 TIP3 3239 -19.948 -24.001 48.023 0.00 0.00 SOLV ATOM 15711 H2 TIP3 3239 -18.549 -23.463 47.931 0.00 0.00 SOLV ATOM 15712 OH2 TIP3 3240 -19.108 -39.510 10.373 0.00 0.00 SOLV ATOM 15713 H1 TIP3 3240 -18.338 -40.035 10.427 0.00 0.00 SOLV ATOM 15714 H2 TIP3 3240 -19.721 -40.090 9.977 0.00 0.00 SOLV ATOM 15715 OH2 TIP3 3241 -24.739 -27.211 29.572 0.00 0.00 SOLV ATOM 15716 H1 TIP3 3241 -24.316 -28.127 29.297 0.00 0.00 SOLV ATOM 15717 H2 TIP3 3241 -24.212 -26.990 30.293 0.00 0.00 SOLV ATOM 15718 OH2 TIP3 3242 -36.471 -14.433 29.312 0.00 0.00 SOLV ATOM 15719 H1 TIP3 3242 -36.650 -15.197 28.759 0.00 0.00 SOLV ATOM 15720 H2 TIP3 3242 -36.992 -13.681 28.865 0.00 0.00 SOLV ATOM 15721 OH2 TIP3 3243 -24.922 -20.781 23.882 0.00 0.00 SOLV ATOM 15722 H1 TIP3 3243 -25.730 -20.394 23.610 0.00 0.00 SOLV ATOM 15723 H2 TIP3 3243 -24.513 -20.893 23.001 0.00 0.00 SOLV ATOM 15724 OH2 TIP3 3244 -20.772 -24.445 40.758 0.00 0.00 SOLV ATOM 15725 H1 TIP3 3244 -21.232 -25.080 40.139 0.00 0.00 SOLV ATOM 15726 H2 TIP3 3244 -21.548 -24.202 41.386 0.00 0.00 SOLV ATOM 15727 OH2 TIP3 3245 16.870 -30.720 31.938 0.00 0.00 SOLV ATOM 15728 H1 TIP3 3245 17.782 -30.684 31.861 0.00 0.00 SOLV ATOM 15729 H2 TIP3 3245 16.709 -31.680 32.119 0.00 0.00 SOLV ATOM 15730 OH2 TIP3 3246 -36.471 -7.932 8.788 0.00 0.00 SOLV ATOM 15731 H1 TIP3 3246 -36.201 -8.833 8.512 0.00 0.00 SOLV ATOM 15732 H2 TIP3 3246 -37.481 -8.002 8.612 0.00 0.00 SOLV ATOM 15733 OH2 TIP3 3247 -30.537 4.338 31.000 0.00 0.00 SOLV ATOM 15734 H1 TIP3 3247 -30.156 4.468 30.082 0.00 0.00 SOLV ATOM 15735 H2 TIP3 3247 -31.467 4.084 30.769 0.00 0.00 SOLV ATOM 15736 OH2 TIP3 3248 -29.243 -22.231 27.767 0.00 0.00 SOLV ATOM 15737 H1 TIP3 3248 -29.536 -21.504 28.294 0.00 0.00 SOLV ATOM 15738 H2 TIP3 3248 -30.014 -22.779 27.707 0.00 0.00 SOLV ATOM 15739 OH2 TIP3 3249 -24.797 -15.939 43.704 0.00 0.00 SOLV ATOM 15740 H1 TIP3 3249 -25.660 -16.192 44.018 0.00 0.00 SOLV ATOM 15741 H2 TIP3 3249 -24.356 -15.362 44.346 0.00 0.00 SOLV ATOM 15742 OH2 TIP3 3250 -23.847 -23.686 37.585 0.00 0.00 SOLV ATOM 15743 H1 TIP3 3250 -24.540 -23.923 36.978 0.00 0.00 SOLV ATOM 15744 H2 TIP3 3250 -24.248 -23.111 38.245 0.00 0.00 SOLV ATOM 15745 OH2 TIP3 3251 -23.533 -15.983 46.394 0.00 0.00 SOLV ATOM 15746 H1 TIP3 3251 -23.452 -16.853 46.088 0.00 0.00 SOLV ATOM 15747 H2 TIP3 3251 -22.613 -15.702 46.625 0.00 0.00 SOLV ATOM 15748 OH2 TIP3 3252 -30.691 -27.500 18.900 0.00 0.00 SOLV ATOM 15749 H1 TIP3 3252 -29.986 -28.072 18.605 0.00 0.00 SOLV ATOM 15750 H2 TIP3 3252 -31.405 -28.039 18.602 0.00 0.00 SOLV ATOM 15751 OH2 TIP3 3253 -24.311 -22.771 15.709 0.00 0.00 SOLV ATOM 15752 H1 TIP3 3253 -23.808 -23.209 16.420 0.00 0.00 SOLV ATOM 15753 H2 TIP3 3253 -24.998 -22.326 16.272 0.00 0.00 SOLV ATOM 15754 OH2 TIP3 3254 -28.629 -19.347 19.309 0.00 0.00 SOLV ATOM 15755 H1 TIP3 3254 -27.690 -19.109 19.405 0.00 0.00 SOLV ATOM 15756 H2 TIP3 3254 -29.022 -18.619 19.826 0.00 0.00 SOLV ATOM 15757 OH2 TIP3 3255 23.740 -10.981 33.320 0.00 0.00 SOLV ATOM 15758 H1 TIP3 3255 24.106 -10.498 34.127 0.00 0.00 SOLV ATOM 15759 H2 TIP3 3255 24.505 -11.395 32.949 0.00 0.00 SOLV ATOM 15760 OH2 TIP3 3256 -23.958 -19.368 37.099 0.00 0.00 SOLV ATOM 15761 H1 TIP3 3256 -24.300 -18.557 37.603 0.00 0.00 SOLV ATOM 15762 H2 TIP3 3256 -24.187 -20.095 37.778 0.00 0.00 SOLV ATOM 15763 OH2 TIP3 3257 -14.584 -16.285 49.118 0.00 0.00 SOLV ATOM 15764 H1 TIP3 3257 -14.089 -15.552 48.690 0.00 0.00 SOLV ATOM 15765 H2 TIP3 3257 -13.976 -16.637 49.811 0.00 0.00 SOLV ATOM 15766 OH2 TIP3 3258 -27.622 -12.983 17.510 0.00 0.00 SOLV ATOM 15767 H1 TIP3 3258 -27.156 -12.377 18.020 0.00 0.00 SOLV ATOM 15768 H2 TIP3 3258 -28.042 -12.433 16.824 0.00 0.00 SOLV ATOM 15769 OH2 TIP3 3259 -27.765 -26.057 23.052 0.00 0.00 SOLV ATOM 15770 H1 TIP3 3259 -28.387 -26.475 23.614 0.00 0.00 SOLV ATOM 15771 H2 TIP3 3259 -26.973 -26.019 23.600 0.00 0.00 SOLV ATOM 15772 OH2 TIP3 3260 -21.764 -16.181 17.310 0.00 0.00 SOLV ATOM 15773 H1 TIP3 3260 -21.893 -16.915 16.774 0.00 0.00 SOLV ATOM 15774 H2 TIP3 3260 -21.913 -16.521 18.177 0.00 0.00 SOLV ATOM 15775 OH2 TIP3 3261 -29.180 -8.893 8.033 0.00 0.00 SOLV ATOM 15776 H1 TIP3 3261 -28.638 -8.968 8.787 0.00 0.00 SOLV ATOM 15777 H2 TIP3 3261 -28.606 -9.273 7.302 0.00 0.00 SOLV ATOM 15778 OH2 TIP3 3262 -21.687 -22.513 17.191 0.00 0.00 SOLV ATOM 15779 H1 TIP3 3262 -21.060 -22.289 17.911 0.00 0.00 SOLV ATOM 15780 H2 TIP3 3262 -21.500 -21.765 16.573 0.00 0.00 SOLV ATOM 15781 OH2 TIP3 3263 -16.363 -4.980 18.465 0.00 0.00 SOLV ATOM 15782 H1 TIP3 3263 -16.959 -4.460 19.005 0.00 0.00 SOLV ATOM 15783 H2 TIP3 3263 -16.079 -5.768 19.029 0.00 0.00 SOLV ATOM 15784 OH2 TIP3 3264 -25.999 -16.490 20.946 0.00 0.00 SOLV ATOM 15785 H1 TIP3 3264 -25.923 -15.863 20.184 0.00 0.00 SOLV ATOM 15786 H2 TIP3 3264 -25.144 -16.393 21.383 0.00 0.00 SOLV ATOM 15787 OH2 TIP3 3265 19.196 -13.024 27.505 0.00 0.00 SOLV ATOM 15788 H1 TIP3 3265 18.436 -12.528 27.160 0.00 0.00 SOLV ATOM 15789 H2 TIP3 3265 18.840 -13.925 27.507 0.00 0.00 SOLV ATOM 15790 OH2 TIP3 3266 -25.856 -17.463 27.986 0.00 0.00 SOLV ATOM 15791 H1 TIP3 3266 -26.471 -17.914 27.296 0.00 0.00 SOLV ATOM 15792 H2 TIP3 3266 -25.029 -18.011 27.939 0.00 0.00 SOLV ATOM 15793 OH2 TIP3 3267 -27.426 -24.640 32.040 0.00 0.00 SOLV ATOM 15794 H1 TIP3 3267 -26.835 -24.188 31.378 0.00 0.00 SOLV ATOM 15795 H2 TIP3 3267 -27.198 -25.592 31.852 0.00 0.00 SOLV ATOM 15796 OH2 TIP3 3268 -14.509 -9.233 42.871 0.00 0.00 SOLV ATOM 15797 H1 TIP3 3268 -13.801 -9.221 43.542 0.00 0.00 SOLV ATOM 15798 H2 TIP3 3268 -15.317 -9.462 43.411 0.00 0.00 SOLV ATOM 15799 OH2 TIP3 3269 -24.285 -16.634 41.067 0.00 0.00 SOLV ATOM 15800 H1 TIP3 3269 -24.649 -16.577 42.011 0.00 0.00 SOLV ATOM 15801 H2 TIP3 3269 -24.620 -15.730 40.706 0.00 0.00 SOLV ATOM 15802 OH2 TIP3 3270 -14.729 -24.047 47.399 0.00 0.00 SOLV ATOM 15803 H1 TIP3 3270 -13.742 -23.848 47.313 0.00 0.00 SOLV ATOM 15804 H2 TIP3 3270 -15.126 -23.264 47.691 0.00 0.00 SOLV ATOM 15805 OH2 TIP3 3271 14.631 -24.803 8.059 0.00 0.00 SOLV ATOM 15806 H1 TIP3 3271 14.588 -25.793 8.184 0.00 0.00 SOLV ATOM 15807 H2 TIP3 3271 13.840 -24.581 7.473 0.00 0.00 SOLV ATOM 15808 OH2 TIP3 3272 -23.110 -12.502 18.265 0.00 0.00 SOLV ATOM 15809 H1 TIP3 3272 -23.775 -12.382 18.958 0.00 0.00 SOLV ATOM 15810 H2 TIP3 3272 -22.388 -12.953 18.766 0.00 0.00 SOLV ATOM 15811 OH2 TIP3 3273 22.866 -18.045 27.120 0.00 0.00 SOLV ATOM 15812 H1 TIP3 3273 22.277 -17.497 27.699 0.00 0.00 SOLV ATOM 15813 H2 TIP3 3273 23.455 -18.549 27.776 0.00 0.00 SOLV ATOM 15814 OH2 TIP3 3274 17.472 -13.847 25.280 0.00 0.00 SOLV ATOM 15815 H1 TIP3 3274 16.522 -13.846 25.223 0.00 0.00 SOLV ATOM 15816 H2 TIP3 3274 17.698 -14.093 24.412 0.00 0.00 SOLV ATOM 15817 OH2 TIP3 3275 -22.080 -6.868 5.741 0.00 0.00 SOLV ATOM 15818 H1 TIP3 3275 -21.096 -6.743 5.699 0.00 0.00 SOLV ATOM 15819 H2 TIP3 3275 -22.428 -6.002 6.126 0.00 0.00 SOLV ATOM 15820 OH2 TIP3 3276 22.260 -9.152 35.743 0.00 0.00 SOLV ATOM 15821 H1 TIP3 3276 21.505 -8.563 35.467 0.00 0.00 SOLV ATOM 15822 H2 TIP3 3276 21.795 -9.983 35.976 0.00 0.00 SOLV ATOM 15823 OH2 TIP3 3277 -29.707 -7.523 40.959 0.00 0.00 SOLV ATOM 15824 H1 TIP3 3277 -30.521 -7.966 41.358 0.00 0.00 SOLV ATOM 15825 H2 TIP3 3277 -29.133 -8.284 40.838 0.00 0.00 SOLV ATOM 15826 OH2 TIP3 3278 -0.855 -4.256 53.640 0.00 0.00 SOLV ATOM 15827 H1 TIP3 3278 0.122 -4.240 53.771 0.00 0.00 SOLV ATOM 15828 H2 TIP3 3278 -0.985 -3.703 52.885 0.00 0.00 SOLV ATOM 15829 OH2 TIP3 3279 -11.058 -20.005 17.841 0.00 0.00 SOLV ATOM 15830 H1 TIP3 3279 -10.690 -20.588 18.542 0.00 0.00 SOLV ATOM 15831 H2 TIP3 3279 -10.844 -19.111 18.166 0.00 0.00 SOLV ATOM 15832 OH2 TIP3 3280 -26.243 -7.141 13.538 0.00 0.00 SOLV ATOM 15833 H1 TIP3 3280 -25.962 -6.406 12.927 0.00 0.00 SOLV ATOM 15834 H2 TIP3 3280 -26.727 -7.687 12.931 0.00 0.00 SOLV ATOM 15835 OH2 TIP3 3281 -18.715 -28.466 19.386 0.00 0.00 SOLV ATOM 15836 H1 TIP3 3281 -18.123 -29.128 19.712 0.00 0.00 SOLV ATOM 15837 H2 TIP3 3281 -19.230 -28.259 20.154 0.00 0.00 SOLV ATOM 15838 OH2 TIP3 3282 -29.425 -7.072 31.462 0.00 0.00 SOLV ATOM 15839 H1 TIP3 3282 -28.515 -6.844 31.607 0.00 0.00 SOLV ATOM 15840 H2 TIP3 3282 -29.741 -6.269 30.975 0.00 0.00 SOLV ATOM 15841 OH2 TIP3 3283 -20.072 -10.784 20.551 0.00 0.00 SOLV ATOM 15842 H1 TIP3 3283 -20.283 -11.220 21.382 0.00 0.00 SOLV ATOM 15843 H2 TIP3 3283 -20.941 -10.487 20.206 0.00 0.00 SOLV ATOM 15844 OH2 TIP3 3284 -30.413 -8.276 38.251 0.00 0.00 SOLV ATOM 15845 H1 TIP3 3284 -30.765 -7.421 38.419 0.00 0.00 SOLV ATOM 15846 H2 TIP3 3284 -30.043 -8.627 39.058 0.00 0.00 SOLV ATOM 15847 OH2 TIP3 3285 -28.464 -19.561 36.841 0.00 0.00 SOLV ATOM 15848 H1 TIP3 3285 -28.753 -20.200 36.139 0.00 0.00 SOLV ATOM 15849 H2 TIP3 3285 -27.639 -19.345 36.487 0.00 0.00 SOLV ATOM 15850 OH2 TIP3 3286 -18.073 -17.904 50.025 0.00 0.00 SOLV ATOM 15851 H1 TIP3 3286 -18.050 -17.581 49.115 0.00 0.00 SOLV ATOM 15852 H2 TIP3 3286 -18.737 -18.675 50.003 0.00 0.00 SOLV ATOM 15853 OH2 TIP3 3287 -28.112 -8.612 34.819 0.00 0.00 SOLV ATOM 15854 H1 TIP3 3287 -28.893 -9.153 34.478 0.00 0.00 SOLV ATOM 15855 H2 TIP3 3287 -28.279 -7.668 34.542 0.00 0.00 SOLV ATOM 15856 OH2 TIP3 3288 -17.255 -9.205 34.598 0.00 0.00 SOLV ATOM 15857 H1 TIP3 3288 -16.902 -9.863 35.199 0.00 0.00 SOLV ATOM 15858 H2 TIP3 3288 -18.016 -8.864 35.027 0.00 0.00 SOLV ATOM 15859 OH2 TIP3 3289 -26.199 -1.816 42.421 0.00 0.00 SOLV ATOM 15860 H1 TIP3 3289 -26.934 -2.419 42.352 0.00 0.00 SOLV ATOM 15861 H2 TIP3 3289 -25.728 -2.139 43.273 0.00 0.00 SOLV ATOM 15862 OH2 TIP3 3290 -27.204 -16.212 35.968 0.00 0.00 SOLV ATOM 15863 H1 TIP3 3290 -27.912 -15.980 35.313 0.00 0.00 SOLV ATOM 15864 H2 TIP3 3290 -26.789 -17.011 35.604 0.00 0.00 SOLV ATOM 15865 OH2 TIP3 3291 -30.479 -0.413 22.807 0.00 0.00 SOLV ATOM 15866 H1 TIP3 3291 -30.891 0.432 23.094 0.00 0.00 SOLV ATOM 15867 H2 TIP3 3291 -30.043 -0.105 21.980 0.00 0.00 SOLV ATOM 15868 OH2 TIP3 3292 -32.557 1.566 12.369 0.00 0.00 SOLV ATOM 15869 H1 TIP3 3292 -33.180 1.697 13.072 0.00 0.00 SOLV ATOM 15870 H2 TIP3 3292 -31.921 0.899 12.753 0.00 0.00 SOLV ATOM 15871 OH2 TIP3 3293 -20.272 -8.597 40.790 0.00 0.00 SOLV ATOM 15872 H1 TIP3 3293 -19.355 -8.912 40.705 0.00 0.00 SOLV ATOM 15873 H2 TIP3 3293 -20.740 -9.200 40.174 0.00 0.00 SOLV ATOM 15874 OH2 TIP3 3294 -17.420 -6.765 46.563 0.00 0.00 SOLV ATOM 15875 H1 TIP3 3294 -16.419 -6.678 46.313 0.00 0.00 SOLV ATOM 15876 H2 TIP3 3294 -17.438 -7.595 47.111 0.00 0.00 SOLV ATOM 15877 OH2 TIP3 3295 -29.747 -6.527 11.000 0.00 0.00 SOLV ATOM 15878 H1 TIP3 3295 -30.495 -7.103 10.726 0.00 0.00 SOLV ATOM 15879 H2 TIP3 3295 -29.810 -5.746 10.469 0.00 0.00 SOLV ATOM 15880 OH2 TIP3 3296 -29.080 3.620 21.115 0.00 0.00 SOLV ATOM 15881 H1 TIP3 3296 -29.389 4.494 21.184 0.00 0.00 SOLV ATOM 15882 H2 TIP3 3296 -28.586 3.536 21.895 0.00 0.00 SOLV ATOM 15883 OH2 TIP3 3297 16.646 -23.824 15.023 0.00 0.00 SOLV ATOM 15884 H1 TIP3 3297 17.092 -23.890 14.199 0.00 0.00 SOLV ATOM 15885 H2 TIP3 3297 16.581 -24.814 15.227 0.00 0.00 SOLV ATOM 15886 OH2 TIP3 3298 -34.009 5.170 19.628 0.00 0.00 SOLV ATOM 15887 H1 TIP3 3298 -34.887 5.031 19.208 0.00 0.00 SOLV ATOM 15888 H2 TIP3 3298 -33.801 4.301 19.956 0.00 0.00 SOLV ATOM 15889 OH2 TIP3 3299 -22.895 -7.150 21.283 0.00 0.00 SOLV ATOM 15890 H1 TIP3 3299 -22.738 -8.035 20.821 0.00 0.00 SOLV ATOM 15891 H2 TIP3 3299 -23.802 -6.896 20.887 0.00 0.00 SOLV ATOM 15892 OH2 TIP3 3300 -37.708 -9.736 24.296 0.00 0.00 SOLV ATOM 15893 H1 TIP3 3300 -37.277 -10.598 24.363 0.00 0.00 SOLV ATOM 15894 H2 TIP3 3300 -37.075 -9.169 24.696 0.00 0.00 SOLV ATOM 15895 OH2 TIP3 3301 -31.629 1.661 24.155 0.00 0.00 SOLV ATOM 15896 H1 TIP3 3301 -30.897 1.306 24.726 0.00 0.00 SOLV ATOM 15897 H2 TIP3 3301 -32.348 1.852 24.779 0.00 0.00 SOLV ATOM 15898 OH2 TIP3 3302 21.878 -24.331 33.729 0.00 0.00 SOLV ATOM 15899 H1 TIP3 3302 22.607 -23.731 33.884 0.00 0.00 SOLV ATOM 15900 H2 TIP3 3302 21.014 -23.835 33.844 0.00 0.00 SOLV ATOM 15901 OH2 TIP3 3303 -24.852 0.605 16.951 0.00 0.00 SOLV ATOM 15902 H1 TIP3 3303 -24.351 1.142 17.585 0.00 0.00 SOLV ATOM 15903 H2 TIP3 3303 -25.076 1.211 16.230 0.00 0.00 SOLV ATOM 15904 OH2 TIP3 3304 20.323 -16.425 14.425 0.00 0.00 SOLV ATOM 15905 H1 TIP3 3304 20.316 -16.593 13.438 0.00 0.00 SOLV ATOM 15906 H2 TIP3 3304 21.220 -16.594 14.737 0.00 0.00 SOLV ATOM 15907 OH2 TIP3 3305 -35.426 -15.868 24.134 0.00 0.00 SOLV ATOM 15908 H1 TIP3 3305 -35.876 -16.671 24.433 0.00 0.00 SOLV ATOM 15909 H2 TIP3 3305 -35.921 -15.214 24.626 0.00 0.00 SOLV ATOM 15910 OH2 TIP3 3306 -6.757 10.528 32.464 0.00 0.00 SOLV ATOM 15911 H1 TIP3 3306 -6.205 11.275 32.263 0.00 0.00 SOLV ATOM 15912 H2 TIP3 3306 -6.490 9.818 31.876 0.00 0.00 SOLV ATOM 15913 OH2 TIP3 3307 -30.979 3.658 16.670 0.00 0.00 SOLV ATOM 15914 H1 TIP3 3307 -31.647 2.921 16.532 0.00 0.00 SOLV ATOM 15915 H2 TIP3 3307 -30.124 3.247 16.643 0.00 0.00 SOLV ATOM 15916 OH2 TIP3 3308 -35.021 -2.049 27.324 0.00 0.00 SOLV ATOM 15917 H1 TIP3 3308 -34.438 -2.310 26.622 0.00 0.00 SOLV ATOM 15918 H2 TIP3 3308 -34.665 -2.428 28.055 0.00 0.00 SOLV ATOM 15919 OH2 TIP3 3309 -23.593 -9.031 8.296 0.00 0.00 SOLV ATOM 15920 H1 TIP3 3309 -23.685 -9.066 7.302 0.00 0.00 SOLV ATOM 15921 H2 TIP3 3309 -23.781 -8.126 8.565 0.00 0.00 SOLV ATOM 15922 OH2 TIP3 3310 -29.176 14.461 11.552 0.00 0.00 SOLV ATOM 15923 H1 TIP3 3310 -28.769 13.878 12.222 0.00 0.00 SOLV ATOM 15924 H2 TIP3 3310 -29.216 15.307 11.978 0.00 0.00 SOLV ATOM 15925 OH2 TIP3 3311 24.362 7.779 8.157 0.00 0.00 SOLV ATOM 15926 H1 TIP3 3311 23.800 8.595 8.052 0.00 0.00 SOLV ATOM 15927 H2 TIP3 3311 24.143 7.252 7.369 0.00 0.00 SOLV ATOM 15928 OH2 TIP3 3312 -25.878 9.479 26.529 0.00 0.00 SOLV ATOM 15929 H1 TIP3 3312 -26.565 9.452 27.233 0.00 0.00 SOLV ATOM 15930 H2 TIP3 3312 -25.758 8.510 26.280 0.00 0.00 SOLV ATOM 15931 OH2 TIP3 3313 21.079 -7.840 10.852 0.00 0.00 SOLV ATOM 15932 H1 TIP3 3313 20.254 -7.372 10.792 0.00 0.00 SOLV ATOM 15933 H2 TIP3 3313 20.839 -8.512 11.561 0.00 0.00 SOLV ATOM 15934 OH2 TIP3 3314 -27.387 3.341 23.699 0.00 0.00 SOLV ATOM 15935 H1 TIP3 3314 -27.263 2.377 23.523 0.00 0.00 SOLV ATOM 15936 H2 TIP3 3314 -26.563 3.646 24.084 0.00 0.00 SOLV ATOM 15937 OH2 TIP3 3315 23.547 9.226 34.079 0.00 0.00 SOLV ATOM 15938 H1 TIP3 3315 24.044 10.034 34.480 0.00 0.00 SOLV ATOM 15939 H2 TIP3 3315 24.249 8.753 33.646 0.00 0.00 SOLV ATOM 15940 OH2 TIP3 3316 15.864 -3.862 39.285 0.00 0.00 SOLV ATOM 15941 H1 TIP3 3316 16.368 -4.457 39.875 0.00 0.00 SOLV ATOM 15942 H2 TIP3 3316 16.507 -3.216 39.013 0.00 0.00 SOLV ATOM 15943 OH2 TIP3 3317 -29.428 0.790 25.635 0.00 0.00 SOLV ATOM 15944 H1 TIP3 3317 -29.291 1.329 26.448 0.00 0.00 SOLV ATOM 15945 H2 TIP3 3317 -29.077 -0.123 25.808 0.00 0.00 SOLV ATOM 15946 OH2 TIP3 3318 -4.592 22.903 -21.152 0.00 0.00 SOLV ATOM 15947 H1 TIP3 3318 -3.793 22.449 -21.229 0.00 0.00 SOLV ATOM 15948 H2 TIP3 3318 -5.204 22.536 -21.870 0.00 0.00 SOLV ATOM 15949 OH2 TIP3 3319 15.435 14.053 30.568 0.00 0.00 SOLV ATOM 15950 H1 TIP3 3319 14.720 13.381 30.654 0.00 0.00 SOLV ATOM 15951 H2 TIP3 3319 15.764 13.870 29.658 0.00 0.00 SOLV ATOM 15952 OH2 TIP3 3320 -16.428 -14.750 29.258 0.00 0.00 SOLV ATOM 15953 H1 TIP3 3320 -16.846 -13.947 29.329 0.00 0.00 SOLV ATOM 15954 H2 TIP3 3320 -15.876 -14.721 30.047 0.00 0.00 SOLV ATOM 15955 OH2 TIP3 3321 -33.577 10.025 28.829 0.00 0.00 SOLV ATOM 15956 H1 TIP3 3321 -34.207 9.267 28.518 0.00 0.00 SOLV ATOM 15957 H2 TIP3 3321 -34.117 10.795 28.756 0.00 0.00 SOLV ATOM 15958 OH2 TIP3 3322 0.071 13.514 29.244 0.00 0.00 SOLV ATOM 15959 H1 TIP3 3322 0.962 13.176 29.297 0.00 0.00 SOLV ATOM 15960 H2 TIP3 3322 0.038 14.164 30.009 0.00 0.00 SOLV ATOM 15961 OH2 TIP3 3323 -28.783 15.213 25.906 0.00 0.00 SOLV ATOM 15962 H1 TIP3 3323 -29.695 15.175 26.196 0.00 0.00 SOLV ATOM 15963 H2 TIP3 3323 -28.414 15.284 26.805 0.00 0.00 SOLV ATOM 15964 OH2 TIP3 3324 -16.377 -2.204 46.667 0.00 0.00 SOLV ATOM 15965 H1 TIP3 3324 -16.151 -2.090 45.739 0.00 0.00 SOLV ATOM 15966 H2 TIP3 3324 -15.785 -1.647 47.079 0.00 0.00 SOLV ATOM 15967 OH2 TIP3 3325 -25.300 14.378 14.610 0.00 0.00 SOLV ATOM 15968 H1 TIP3 3325 -25.359 13.942 15.465 0.00 0.00 SOLV ATOM 15969 H2 TIP3 3325 -24.891 13.696 14.069 0.00 0.00 SOLV ATOM 15970 OH2 TIP3 3326 -34.302 8.563 16.212 0.00 0.00 SOLV ATOM 15971 H1 TIP3 3326 -33.493 8.291 15.779 0.00 0.00 SOLV ATOM 15972 H2 TIP3 3326 -34.028 8.961 17.027 0.00 0.00 SOLV ATOM 15973 OH2 TIP3 3327 17.950 15.221 23.359 0.00 0.00 SOLV ATOM 15974 H1 TIP3 3327 18.328 15.011 24.217 0.00 0.00 SOLV ATOM 15975 H2 TIP3 3327 16.964 15.153 23.485 0.00 0.00 SOLV ATOM 15976 OH2 TIP3 3328 17.932 -13.309 44.299 0.00 0.00 SOLV ATOM 15977 H1 TIP3 3328 17.397 -13.757 45.046 0.00 0.00 SOLV ATOM 15978 H2 TIP3 3328 17.565 -13.679 43.450 0.00 0.00 SOLV ATOM 15979 OH2 TIP3 3329 21.817 5.279 33.842 0.00 0.00 SOLV ATOM 15980 H1 TIP3 3329 21.816 4.297 34.047 0.00 0.00 SOLV ATOM 15981 H2 TIP3 3329 22.719 5.521 34.100 0.00 0.00 SOLV ATOM 15982 OH2 TIP3 3330 -36.064 11.572 19.510 0.00 0.00 SOLV ATOM 15983 H1 TIP3 3330 -36.036 12.529 19.630 0.00 0.00 SOLV ATOM 15984 H2 TIP3 3330 -35.138 11.464 19.111 0.00 0.00 SOLV ATOM 15985 OH2 TIP3 3331 -23.299 12.276 27.274 0.00 0.00 SOLV ATOM 15986 H1 TIP3 3331 -23.951 11.692 27.630 0.00 0.00 SOLV ATOM 15987 H2 TIP3 3331 -23.331 12.010 26.324 0.00 0.00 SOLV ATOM 15988 OH2 TIP3 3332 -17.926 9.408 32.883 0.00 0.00 SOLV ATOM 15989 H1 TIP3 3332 -17.726 8.664 32.270 0.00 0.00 SOLV ATOM 15990 H2 TIP3 3332 -18.864 9.440 32.992 0.00 0.00 SOLV ATOM 15991 OH2 TIP3 3333 -26.355 12.809 25.657 0.00 0.00 SOLV ATOM 15992 H1 TIP3 3333 -26.745 13.472 25.106 0.00 0.00 SOLV ATOM 15993 H2 TIP3 3333 -26.802 12.965 26.510 0.00 0.00 SOLV ATOM 15994 OH2 TIP3 3334 9.369 10.939 23.953 0.00 0.00 SOLV ATOM 15995 H1 TIP3 3334 10.247 10.971 23.427 0.00 0.00 SOLV ATOM 15996 H2 TIP3 3334 9.382 10.139 24.372 0.00 0.00 SOLV ATOM 15997 OH2 TIP3 3335 -23.130 6.953 26.932 0.00 0.00 SOLV ATOM 15998 H1 TIP3 3335 -22.840 6.054 26.641 0.00 0.00 SOLV ATOM 15999 H2 TIP3 3335 -24.073 6.861 26.718 0.00 0.00 SOLV ATOM 16000 OH2 TIP3 3336 -36.899 1.791 8.420 0.00 0.00 SOLV ATOM 16001 H1 TIP3 3336 -36.690 1.412 9.261 0.00 0.00 SOLV ATOM 16002 H2 TIP3 3336 -37.055 1.032 7.815 0.00 0.00 SOLV ATOM 16003 OH2 TIP3 3337 -23.069 -34.628 19.014 0.00 0.00 SOLV ATOM 16004 H1 TIP3 3337 -23.990 -34.576 18.706 0.00 0.00 SOLV ATOM 16005 H2 TIP3 3337 -23.074 -34.044 19.819 0.00 0.00 SOLV ATOM 16006 OH2 TIP3 3338 -24.332 14.801 27.906 0.00 0.00 SOLV ATOM 16007 H1 TIP3 3338 -24.013 13.872 27.787 0.00 0.00 SOLV ATOM 16008 H2 TIP3 3338 -24.353 14.937 28.834 0.00 0.00 SOLV ATOM 16009 OH2 TIP3 3339 -26.662 -5.261 22.679 0.00 0.00 SOLV ATOM 16010 H1 TIP3 3339 -25.752 -5.617 22.522 0.00 0.00 SOLV ATOM 16011 H2 TIP3 3339 -27.240 -5.991 22.544 0.00 0.00 SOLV ATOM 16012 OH2 TIP3 3340 -35.229 5.625 22.891 0.00 0.00 SOLV ATOM 16013 H1 TIP3 3340 -35.702 5.425 22.126 0.00 0.00 SOLV ATOM 16014 H2 TIP3 3340 -35.922 5.832 23.499 0.00 0.00 SOLV ATOM 16015 OH2 TIP3 3341 -26.422 -25.511 25.269 0.00 0.00 SOLV ATOM 16016 H1 TIP3 3341 -25.524 -25.733 25.281 0.00 0.00 SOLV ATOM 16017 H2 TIP3 3341 -26.641 -25.516 26.191 0.00 0.00 SOLV ATOM 16018 OH2 TIP3 3342 -22.937 -34.563 24.332 0.00 0.00 SOLV ATOM 16019 H1 TIP3 3342 -22.261 -35.112 24.793 0.00 0.00 SOLV ATOM 16020 H2 TIP3 3342 -23.816 -35.023 24.378 0.00 0.00 SOLV ATOM 16021 OH2 TIP3 3343 -31.273 14.965 15.125 0.00 0.00 SOLV ATOM 16022 H1 TIP3 3343 -32.044 14.387 15.188 0.00 0.00 SOLV ATOM 16023 H2 TIP3 3343 -31.495 15.473 14.378 0.00 0.00 SOLV ATOM 16024 OH2 TIP3 3344 -29.392 15.944 20.611 0.00 0.00 SOLV ATOM 16025 H1 TIP3 3344 -29.832 16.768 20.381 0.00 0.00 SOLV ATOM 16026 H2 TIP3 3344 -29.846 15.510 21.402 0.00 0.00 SOLV ATOM 16027 OH2 TIP3 3345 -23.696 10.668 24.998 0.00 0.00 SOLV ATOM 16028 H1 TIP3 3345 -24.463 10.057 25.132 0.00 0.00 SOLV ATOM 16029 H2 TIP3 3345 -24.055 11.481 24.589 0.00 0.00 SOLV ATOM 16030 OH2 TIP3 3346 -16.066 -38.881 31.007 0.00 0.00 SOLV ATOM 16031 H1 TIP3 3346 -15.876 -39.621 31.545 0.00 0.00 SOLV ATOM 16032 H2 TIP3 3346 -16.743 -38.461 31.489 0.00 0.00 SOLV ATOM 16033 OH2 TIP3 3347 -10.333 -27.523 8.851 0.00 0.00 SOLV ATOM 16034 H1 TIP3 3347 -10.400 -26.917 9.639 0.00 0.00 SOLV ATOM 16035 H2 TIP3 3347 -11.272 -27.757 8.693 0.00 0.00 SOLV ATOM 16036 OH2 TIP3 3348 -10.333 -43.998 15.309 0.00 0.00 SOLV ATOM 16037 H1 TIP3 3348 -10.993 -43.348 14.977 0.00 0.00 SOLV ATOM 16038 H2 TIP3 3348 -9.596 -43.870 14.665 0.00 0.00 SOLV ATOM 16039 OH2 TIP3 3349 -31.095 -24.552 28.603 0.00 0.00 SOLV ATOM 16040 H1 TIP3 3349 -30.546 -24.631 29.434 0.00 0.00 SOLV ATOM 16041 H2 TIP3 3349 -31.904 -25.013 28.788 0.00 0.00 SOLV ATOM 16042 OH2 TIP3 3350 -29.394 -21.291 25.027 0.00 0.00 SOLV ATOM 16043 H1 TIP3 3350 -29.304 -22.216 24.975 0.00 0.00 SOLV ATOM 16044 H2 TIP3 3350 -29.154 -21.150 25.937 0.00 0.00 SOLV ATOM 16045 OH2 TIP3 3351 -31.737 -20.726 19.843 0.00 0.00 SOLV ATOM 16046 H1 TIP3 3351 -32.054 -20.114 20.468 0.00 0.00 SOLV ATOM 16047 H2 TIP3 3351 -32.203 -20.468 19.004 0.00 0.00 SOLV ATOM 16048 OH2 TIP3 3352 -19.802 -37.648 29.582 0.00 0.00 SOLV ATOM 16049 H1 TIP3 3352 -19.567 -38.350 30.173 0.00 0.00 SOLV ATOM 16050 H2 TIP3 3352 -20.519 -37.941 29.010 0.00 0.00 SOLV ATOM 16051 OH2 TIP3 3353 -15.283 -31.953 39.003 0.00 0.00 SOLV ATOM 16052 H1 TIP3 3353 -15.136 -31.065 38.802 0.00 0.00 SOLV ATOM 16053 H2 TIP3 3353 -14.433 -32.411 39.027 0.00 0.00 SOLV ATOM 16054 OH2 TIP3 3354 -27.620 -19.970 10.230 0.00 0.00 SOLV ATOM 16055 H1 TIP3 3354 -28.330 -19.867 10.906 0.00 0.00 SOLV ATOM 16056 H2 TIP3 3354 -27.806 -19.205 9.602 0.00 0.00 SOLV ATOM 16057 OH2 TIP3 3355 -30.299 -24.178 14.959 0.00 0.00 SOLV ATOM 16058 H1 TIP3 3355 -29.375 -24.492 15.036 0.00 0.00 SOLV ATOM 16059 H2 TIP3 3355 -30.623 -24.282 15.895 0.00 0.00 SOLV ATOM 16060 OH2 TIP3 3356 -19.860 -28.316 12.814 0.00 0.00 SOLV ATOM 16061 H1 TIP3 3356 -19.918 -29.248 13.236 0.00 0.00 SOLV ATOM 16062 H2 TIP3 3356 -20.569 -27.764 13.236 0.00 0.00 SOLV ATOM 16063 OH2 TIP3 3357 -30.972 -24.972 17.427 0.00 0.00 SOLV ATOM 16064 H1 TIP3 3357 -30.925 -25.868 17.844 0.00 0.00 SOLV ATOM 16065 H2 TIP3 3357 -30.960 -24.373 18.205 0.00 0.00 SOLV ATOM 16066 OH2 TIP3 3358 -22.303 -32.425 30.488 0.00 0.00 SOLV ATOM 16067 H1 TIP3 3358 -22.992 -32.221 31.146 0.00 0.00 SOLV ATOM 16068 H2 TIP3 3358 -22.772 -33.017 29.874 0.00 0.00 SOLV ATOM 16069 OH2 TIP3 3359 -22.188 -19.660 10.169 0.00 0.00 SOLV ATOM 16070 H1 TIP3 3359 -22.117 -19.606 11.097 0.00 0.00 SOLV ATOM 16071 H2 TIP3 3359 -23.069 -20.141 9.967 0.00 0.00 SOLV ATOM 16072 OH2 TIP3 3360 -10.460 -35.048 12.409 0.00 0.00 SOLV ATOM 16073 H1 TIP3 3360 -10.814 -34.378 11.866 0.00 0.00 SOLV ATOM 16074 H2 TIP3 3360 -11.012 -35.799 12.319 0.00 0.00 SOLV ATOM 16075 OH2 TIP3 3361 -27.957 -30.169 30.352 0.00 0.00 SOLV ATOM 16076 H1 TIP3 3361 -27.561 -31.064 30.406 0.00 0.00 SOLV ATOM 16077 H2 TIP3 3361 -28.861 -30.236 30.565 0.00 0.00 SOLV ATOM 16078 OH2 TIP3 3362 -28.132 -24.121 11.746 0.00 0.00 SOLV ATOM 16079 H1 TIP3 3362 -27.822 -23.610 12.537 0.00 0.00 SOLV ATOM 16080 H2 TIP3 3362 -27.811 -24.991 11.922 0.00 0.00 SOLV ATOM 16081 OH2 TIP3 3363 -30.869 -20.147 29.364 0.00 0.00 SOLV ATOM 16082 H1 TIP3 3363 -31.567 -19.464 29.571 0.00 0.00 SOLV ATOM 16083 H2 TIP3 3363 -30.650 -20.518 30.221 0.00 0.00 SOLV ATOM 16084 OH2 TIP3 3364 -17.694 -41.189 29.496 0.00 0.00 SOLV ATOM 16085 H1 TIP3 3364 -18.365 -41.114 30.209 0.00 0.00 SOLV ATOM 16086 H2 TIP3 3364 -17.040 -41.834 29.830 0.00 0.00 SOLV ATOM 16087 OH2 TIP3 3365 -22.864 -28.525 20.182 0.00 0.00 SOLV ATOM 16088 H1 TIP3 3365 -23.790 -28.133 20.119 0.00 0.00 SOLV ATOM 16089 H2 TIP3 3365 -22.976 -29.304 20.727 0.00 0.00 SOLV ATOM 16090 OH2 TIP3 3366 -16.036 -35.124 10.288 0.00 0.00 SOLV ATOM 16091 H1 TIP3 3366 -16.789 -35.801 10.293 0.00 0.00 SOLV ATOM 16092 H2 TIP3 3366 -15.843 -34.944 9.330 0.00 0.00 SOLV ATOM 16093 OH2 TIP3 3367 -15.577 -18.395 21.666 0.00 0.00 SOLV ATOM 16094 H1 TIP3 3367 -15.093 -17.556 21.839 0.00 0.00 SOLV ATOM 16095 H2 TIP3 3367 -16.361 -18.243 22.220 0.00 0.00 SOLV ATOM 16096 OH2 TIP3 3368 -8.358 -29.497 25.544 0.00 0.00 SOLV ATOM 16097 H1 TIP3 3368 -7.903 -28.933 24.862 0.00 0.00 SOLV ATOM 16098 H2 TIP3 3368 -7.960 -29.289 26.413 0.00 0.00 SOLV ATOM 16099 OH2 TIP3 3369 -26.479 -32.404 31.476 0.00 0.00 SOLV ATOM 16100 H1 TIP3 3369 -26.626 -33.000 32.227 0.00 0.00 SOLV ATOM 16101 H2 TIP3 3369 -26.945 -32.868 30.767 0.00 0.00 SOLV ATOM 16102 OH2 TIP3 3370 -20.268 -33.433 45.364 0.00 0.00 SOLV ATOM 16103 H1 TIP3 3370 -20.659 -33.361 44.467 0.00 0.00 SOLV ATOM 16104 H2 TIP3 3370 -19.983 -34.336 45.338 0.00 0.00 SOLV ATOM 16105 OH2 TIP3 3371 -29.358 -29.970 12.286 0.00 0.00 SOLV ATOM 16106 H1 TIP3 3371 -30.248 -30.214 12.628 0.00 0.00 SOLV ATOM 16107 H2 TIP3 3371 -29.466 -29.853 11.316 0.00 0.00 SOLV ATOM 16108 OH2 TIP3 3372 -27.450 -27.478 16.984 0.00 0.00 SOLV ATOM 16109 H1 TIP3 3372 -27.721 -27.256 16.074 0.00 0.00 SOLV ATOM 16110 H2 TIP3 3372 -27.141 -26.581 17.334 0.00 0.00 SOLV ATOM 16111 OH2 TIP3 3373 -19.903 -16.140 12.120 0.00 0.00 SOLV ATOM 16112 H1 TIP3 3373 -20.147 -15.222 12.024 0.00 0.00 SOLV ATOM 16113 H2 TIP3 3373 -20.724 -16.645 12.029 0.00 0.00 SOLV ATOM 16114 OH2 TIP3 3374 -28.999 -28.123 21.528 0.00 0.00 SOLV ATOM 16115 H1 TIP3 3374 -28.940 -27.434 22.194 0.00 0.00 SOLV ATOM 16116 H2 TIP3 3374 -29.814 -27.896 21.048 0.00 0.00 SOLV ATOM 16117 OH2 TIP3 3375 -28.186 -31.094 14.802 0.00 0.00 SOLV ATOM 16118 H1 TIP3 3375 -27.621 -31.590 14.108 0.00 0.00 SOLV ATOM 16119 H2 TIP3 3375 -29.037 -31.006 14.373 0.00 0.00 SOLV ATOM 16120 OH2 TIP3 3376 -31.837 -14.523 32.267 0.00 0.00 SOLV ATOM 16121 H1 TIP3 3376 -31.206 -15.281 32.073 0.00 0.00 SOLV ATOM 16122 H2 TIP3 3376 -32.499 -14.649 31.527 0.00 0.00 SOLV ATOM 16123 OH2 TIP3 3377 17.803 -23.476 12.550 0.00 0.00 SOLV ATOM 16124 H1 TIP3 3377 18.291 -23.108 11.825 0.00 0.00 SOLV ATOM 16125 H2 TIP3 3377 16.907 -23.497 12.125 0.00 0.00 SOLV ATOM 16126 OH2 TIP3 3378 -26.991 -23.323 29.149 0.00 0.00 SOLV ATOM 16127 H1 TIP3 3378 -26.731 -24.061 28.621 0.00 0.00 SOLV ATOM 16128 H2 TIP3 3378 -27.828 -23.108 28.691 0.00 0.00 SOLV ATOM 16129 OH2 TIP3 3379 -18.817 -35.931 38.271 0.00 0.00 SOLV ATOM 16130 H1 TIP3 3379 -18.385 -35.077 38.339 0.00 0.00 SOLV ATOM 16131 H2 TIP3 3379 -18.194 -36.386 37.684 0.00 0.00 SOLV ATOM 16132 OH2 TIP3 3380 -32.890 -18.257 30.412 0.00 0.00 SOLV ATOM 16133 H1 TIP3 3380 -33.832 -18.097 30.389 0.00 0.00 SOLV ATOM 16134 H2 TIP3 3380 -32.794 -18.749 31.236 0.00 0.00 SOLV ATOM 16135 OH2 TIP3 3381 -23.128 -17.222 34.608 0.00 0.00 SOLV ATOM 16136 H1 TIP3 3381 -22.310 -17.274 34.081 0.00 0.00 SOLV ATOM 16137 H2 TIP3 3381 -23.237 -18.124 34.964 0.00 0.00 SOLV ATOM 16138 OH2 TIP3 3382 19.851 -19.154 10.137 0.00 0.00 SOLV ATOM 16139 H1 TIP3 3382 19.548 -20.093 9.851 0.00 0.00 SOLV ATOM 16140 H2 TIP3 3382 19.146 -18.553 9.981 0.00 0.00 SOLV ATOM 16141 OH2 TIP3 3383 -23.567 -14.159 11.565 0.00 0.00 SOLV ATOM 16142 H1 TIP3 3383 -24.249 -13.498 11.877 0.00 0.00 SOLV ATOM 16143 H2 TIP3 3383 -24.028 -14.605 10.823 0.00 0.00 SOLV ATOM 16144 OH2 TIP3 3384 -4.757 -22.891 12.944 0.00 0.00 SOLV ATOM 16145 H1 TIP3 3384 -3.999 -23.248 12.457 0.00 0.00 SOLV ATOM 16146 H2 TIP3 3384 -5.127 -22.299 12.257 0.00 0.00 SOLV ATOM 16147 OH2 TIP3 3385 -25.312 -23.381 22.446 0.00 0.00 SOLV ATOM 16148 H1 TIP3 3385 -26.292 -23.225 22.333 0.00 0.00 SOLV ATOM 16149 H2 TIP3 3385 -25.274 -24.312 22.116 0.00 0.00 SOLV ATOM 16150 OH2 TIP3 3386 -29.556 -19.542 22.888 0.00 0.00 SOLV ATOM 16151 H1 TIP3 3386 -29.311 -19.996 23.691 0.00 0.00 SOLV ATOM 16152 H2 TIP3 3386 -30.486 -19.729 22.869 0.00 0.00 SOLV ATOM 16153 OH2 TIP3 3387 -21.923 -32.763 39.219 0.00 0.00 SOLV ATOM 16154 H1 TIP3 3387 -22.492 -32.933 38.381 0.00 0.00 SOLV ATOM 16155 H2 TIP3 3387 -21.095 -32.448 38.771 0.00 0.00 SOLV ATOM 16156 OH2 TIP3 3388 -24.741 -30.558 36.069 0.00 0.00 SOLV ATOM 16157 H1 TIP3 3388 -24.953 -30.183 36.946 0.00 0.00 SOLV ATOM 16158 H2 TIP3 3388 -24.478 -29.771 35.610 0.00 0.00 SOLV ATOM 16159 OH2 TIP3 3389 -23.708 -12.830 44.310 0.00 0.00 SOLV ATOM 16160 H1 TIP3 3389 -23.724 -12.680 45.287 0.00 0.00 SOLV ATOM 16161 H2 TIP3 3389 -24.571 -12.374 44.074 0.00 0.00 SOLV ATOM 16162 OH2 TIP3 3390 -21.442 -20.672 46.355 0.00 0.00 SOLV ATOM 16163 H1 TIP3 3390 -21.864 -20.719 45.505 0.00 0.00 SOLV ATOM 16164 H2 TIP3 3390 -22.186 -20.427 46.960 0.00 0.00 SOLV ATOM 16165 OH2 TIP3 3391 -21.103 -24.741 49.334 0.00 0.00 SOLV ATOM 16166 H1 TIP3 3391 -21.904 -25.326 49.373 0.00 0.00 SOLV ATOM 16167 H2 TIP3 3391 -20.587 -25.113 50.040 0.00 0.00 SOLV ATOM 16168 OH2 TIP3 3392 -25.268 -20.160 12.373 0.00 0.00 SOLV ATOM 16169 H1 TIP3 3392 -26.208 -19.977 12.232 0.00 0.00 SOLV ATOM 16170 H2 TIP3 3392 -25.095 -20.789 11.663 0.00 0.00 SOLV ATOM 16171 OH2 TIP3 3393 -25.011 -29.249 12.281 0.00 0.00 SOLV ATOM 16172 H1 TIP3 3393 -25.048 -28.368 11.879 0.00 0.00 SOLV ATOM 16173 H2 TIP3 3393 -25.443 -29.790 11.608 0.00 0.00 SOLV ATOM 16174 OH2 TIP3 3394 -30.795 -18.337 16.020 0.00 0.00 SOLV ATOM 16175 H1 TIP3 3394 -30.771 -18.050 16.968 0.00 0.00 SOLV ATOM 16176 H2 TIP3 3394 -30.056 -18.949 15.928 0.00 0.00 SOLV ATOM 16177 OH2 TIP3 3395 21.947 -14.992 26.884 0.00 0.00 SOLV ATOM 16178 H1 TIP3 3395 21.273 -14.291 26.955 0.00 0.00 SOLV ATOM 16179 H2 TIP3 3395 22.831 -14.655 26.842 0.00 0.00 SOLV ATOM 16180 OH2 TIP3 3396 -29.983 -25.200 31.016 0.00 0.00 SOLV ATOM 16181 H1 TIP3 3396 -30.236 -25.637 31.891 0.00 0.00 SOLV ATOM 16182 H2 TIP3 3396 -29.032 -24.968 31.183 0.00 0.00 SOLV ATOM 16183 OH2 TIP3 3397 -24.147 -19.079 31.816 0.00 0.00 SOLV ATOM 16184 H1 TIP3 3397 -24.759 -18.701 31.166 0.00 0.00 SOLV ATOM 16185 H2 TIP3 3397 -23.915 -18.410 32.479 0.00 0.00 SOLV ATOM 16186 OH2 TIP3 3398 -19.040 -15.031 41.329 0.00 0.00 SOLV ATOM 16187 H1 TIP3 3398 -18.456 -15.659 41.792 0.00 0.00 SOLV ATOM 16188 H2 TIP3 3398 -19.945 -15.128 41.717 0.00 0.00 SOLV ATOM 16189 OH2 TIP3 3399 -20.707 -14.144 8.959 0.00 0.00 SOLV ATOM 16190 H1 TIP3 3399 -20.998 -14.229 8.026 0.00 0.00 SOLV ATOM 16191 H2 TIP3 3399 -21.071 -14.932 9.385 0.00 0.00 SOLV ATOM 16192 OH2 TIP3 3400 -5.616 -20.977 8.322 0.00 0.00 SOLV ATOM 16193 H1 TIP3 3400 -5.622 -21.125 9.289 0.00 0.00 SOLV ATOM 16194 H2 TIP3 3400 -6.506 -21.273 8.062 0.00 0.00 SOLV ATOM 16195 OH2 TIP3 3401 -11.547 -9.532 -1.230 0.00 0.00 SOLV ATOM 16196 H1 TIP3 3401 -12.292 -9.108 -0.803 0.00 0.00 SOLV ATOM 16197 H2 TIP3 3401 -11.014 -9.944 -0.525 0.00 0.00 SOLV ATOM 16198 OH2 TIP3 3402 -28.219 -16.407 39.112 0.00 0.00 SOLV ATOM 16199 H1 TIP3 3402 -29.070 -16.647 38.587 0.00 0.00 SOLV ATOM 16200 H2 TIP3 3402 -27.924 -15.562 38.771 0.00 0.00 SOLV ATOM 16201 OH2 TIP3 3403 -21.006 -14.297 34.936 0.00 0.00 SOLV ATOM 16202 H1 TIP3 3403 -21.647 -14.405 34.226 0.00 0.00 SOLV ATOM 16203 H2 TIP3 3403 -20.803 -15.165 35.221 0.00 0.00 SOLV ATOM 16204 OH2 TIP3 3404 -22.033 -22.529 44.229 0.00 0.00 SOLV ATOM 16205 H1 TIP3 3404 -21.864 -23.351 44.647 0.00 0.00 SOLV ATOM 16206 H2 TIP3 3404 -22.290 -22.771 43.370 0.00 0.00 SOLV ATOM 16207 OH2 TIP3 3405 -11.461 -14.720 54.297 0.00 0.00 SOLV ATOM 16208 H1 TIP3 3405 -10.921 -15.428 53.863 0.00 0.00 SOLV ATOM 16209 H2 TIP3 3405 -10.786 -14.114 54.725 0.00 0.00 SOLV ATOM 16210 OH2 TIP3 3406 -33.087 -11.352 37.259 0.00 0.00 SOLV ATOM 16211 H1 TIP3 3406 -32.545 -10.626 36.850 0.00 0.00 SOLV ATOM 16212 H2 TIP3 3406 -33.019 -11.117 38.175 0.00 0.00 SOLV ATOM 16213 OH2 TIP3 3407 -26.591 -29.672 33.114 0.00 0.00 SOLV ATOM 16214 H1 TIP3 3407 -26.747 -29.940 34.045 0.00 0.00 SOLV ATOM 16215 H2 TIP3 3407 -27.207 -30.191 32.602 0.00 0.00 SOLV ATOM 16216 OH2 TIP3 3408 -18.770 -20.805 47.049 0.00 0.00 SOLV ATOM 16217 H1 TIP3 3408 -18.386 -21.661 46.775 0.00 0.00 SOLV ATOM 16218 H2 TIP3 3408 -19.663 -20.734 46.583 0.00 0.00 SOLV ATOM 16219 OH2 TIP3 3409 -21.265 -11.410 43.195 0.00 0.00 SOLV ATOM 16220 H1 TIP3 3409 -21.976 -11.969 42.766 0.00 0.00 SOLV ATOM 16221 H2 TIP3 3409 -21.736 -10.755 43.700 0.00 0.00 SOLV ATOM 16222 OH2 TIP3 3410 -17.728 -19.152 13.683 0.00 0.00 SOLV ATOM 16223 H1 TIP3 3410 -17.406 -19.495 14.491 0.00 0.00 SOLV ATOM 16224 H2 TIP3 3410 -17.582 -19.916 13.062 0.00 0.00 SOLV ATOM 16225 OH2 TIP3 3411 -31.258 -13.574 15.656 0.00 0.00 SOLV ATOM 16226 H1 TIP3 3411 -30.767 -13.385 16.468 0.00 0.00 SOLV ATOM 16227 H2 TIP3 3411 -30.577 -13.830 14.936 0.00 0.00 SOLV ATOM 16228 OH2 TIP3 3412 -31.521 -15.818 29.187 0.00 0.00 SOLV ATOM 16229 H1 TIP3 3412 -32.307 -15.275 29.181 0.00 0.00 SOLV ATOM 16230 H2 TIP3 3412 -31.814 -16.661 29.551 0.00 0.00 SOLV ATOM 16231 OH2 TIP3 3413 -25.653 -18.830 19.448 0.00 0.00 SOLV ATOM 16232 H1 TIP3 3413 -25.265 -19.352 18.719 0.00 0.00 SOLV ATOM 16233 H2 TIP3 3413 -24.918 -18.602 20.002 0.00 0.00 SOLV ATOM 16234 OH2 TIP3 3414 -31.261 -17.564 33.997 0.00 0.00 SOLV ATOM 16235 H1 TIP3 3414 -31.819 -18.347 34.073 0.00 0.00 SOLV ATOM 16236 H2 TIP3 3414 -30.862 -17.624 33.083 0.00 0.00 SOLV ATOM 16237 OH2 TIP3 3415 -22.686 -7.217 37.656 0.00 0.00 SOLV ATOM 16238 H1 TIP3 3415 -23.214 -6.826 38.410 0.00 0.00 SOLV ATOM 16239 H2 TIP3 3415 -22.217 -8.048 37.987 0.00 0.00 SOLV ATOM 16240 OH2 TIP3 3416 -20.431 -29.349 46.207 0.00 0.00 SOLV ATOM 16241 H1 TIP3 3416 -20.053 -30.166 46.625 0.00 0.00 SOLV ATOM 16242 H2 TIP3 3416 -20.307 -29.485 45.266 0.00 0.00 SOLV ATOM 16243 OH2 TIP3 3417 -24.319 -15.369 9.219 0.00 0.00 SOLV ATOM 16244 H1 TIP3 3417 -24.374 -15.114 8.304 0.00 0.00 SOLV ATOM 16245 H2 TIP3 3417 -25.118 -15.787 9.424 0.00 0.00 SOLV ATOM 16246 OH2 TIP3 3418 -32.397 -7.977 18.317 0.00 0.00 SOLV ATOM 16247 H1 TIP3 3418 -33.359 -7.956 18.546 0.00 0.00 SOLV ATOM 16248 H2 TIP3 3418 -32.295 -7.393 17.483 0.00 0.00 SOLV ATOM 16249 OH2 TIP3 3419 -27.159 -9.877 17.909 0.00 0.00 SOLV ATOM 16250 H1 TIP3 3419 -26.738 -9.672 17.083 0.00 0.00 SOLV ATOM 16251 H2 TIP3 3419 -27.643 -9.085 18.145 0.00 0.00 SOLV ATOM 16252 OH2 TIP3 3420 1.765 -20.139 41.071 0.00 0.00 SOLV ATOM 16253 H1 TIP3 3420 2.313 -19.487 40.731 0.00 0.00 SOLV ATOM 16254 H2 TIP3 3420 1.368 -20.592 40.316 0.00 0.00 SOLV ATOM 16255 OH2 TIP3 3421 -27.150 -17.946 23.353 0.00 0.00 SOLV ATOM 16256 H1 TIP3 3421 -26.824 -17.467 22.575 0.00 0.00 SOLV ATOM 16257 H2 TIP3 3421 -27.692 -18.586 22.870 0.00 0.00 SOLV ATOM 16258 OH2 TIP3 3422 -28.674 -2.788 29.274 0.00 0.00 SOLV ATOM 16259 H1 TIP3 3422 -27.940 -2.614 28.733 0.00 0.00 SOLV ATOM 16260 H2 TIP3 3422 -28.650 -3.757 29.309 0.00 0.00 SOLV ATOM 16261 OH2 TIP3 3423 -15.435 -16.321 44.807 0.00 0.00 SOLV ATOM 16262 H1 TIP3 3423 -14.733 -16.965 44.494 0.00 0.00 SOLV ATOM 16263 H2 TIP3 3423 -15.509 -15.748 44.010 0.00 0.00 SOLV ATOM 16264 OH2 TIP3 3424 -9.777 -13.450 50.744 0.00 0.00 SOLV ATOM 16265 H1 TIP3 3424 -10.055 -13.162 49.866 0.00 0.00 SOLV ATOM 16266 H2 TIP3 3424 -10.388 -14.119 51.014 0.00 0.00 SOLV ATOM 16267 OH2 TIP3 3425 -20.293 -19.466 48.889 0.00 0.00 SOLV ATOM 16268 H1 TIP3 3425 -19.855 -20.175 48.393 0.00 0.00 SOLV ATOM 16269 H2 TIP3 3425 -20.974 -19.950 49.362 0.00 0.00 SOLV ATOM 16270 OH2 TIP3 3426 -10.178 -8.826 46.834 0.00 0.00 SOLV ATOM 16271 H1 TIP3 3426 -9.957 -8.235 47.512 0.00 0.00 SOLV ATOM 16272 H2 TIP3 3426 -9.353 -8.837 46.297 0.00 0.00 SOLV ATOM 16273 OH2 TIP3 3427 -11.562 -12.627 46.412 0.00 0.00 SOLV ATOM 16274 H1 TIP3 3427 -11.024 -12.196 45.762 0.00 0.00 SOLV ATOM 16275 H2 TIP3 3427 -10.925 -12.601 47.160 0.00 0.00 SOLV ATOM 16276 OH2 TIP3 3428 22.043 9.344 7.504 0.00 0.00 SOLV ATOM 16277 H1 TIP3 3428 21.868 9.336 6.578 0.00 0.00 SOLV ATOM 16278 H2 TIP3 3428 21.268 9.056 7.870 0.00 0.00 SOLV ATOM 16279 OH2 TIP3 3429 -28.470 -11.325 15.203 0.00 0.00 SOLV ATOM 16280 H1 TIP3 3429 -27.758 -10.637 15.309 0.00 0.00 SOLV ATOM 16281 H2 TIP3 3429 -29.324 -10.720 15.177 0.00 0.00 SOLV ATOM 16282 OH2 TIP3 3430 -29.951 -8.784 14.911 0.00 0.00 SOLV ATOM 16283 H1 TIP3 3430 -29.428 -8.269 15.543 0.00 0.00 SOLV ATOM 16284 H2 TIP3 3430 -30.918 -8.469 15.080 0.00 0.00 SOLV ATOM 16285 OH2 TIP3 3431 -28.722 6.153 2.789 0.00 0.00 SOLV ATOM 16286 H1 TIP3 3431 -28.419 5.268 3.097 0.00 0.00 SOLV ATOM 16287 H2 TIP3 3431 -29.685 5.929 2.643 0.00 0.00 SOLV ATOM 16288 OH2 TIP3 3432 -28.838 -11.150 11.411 0.00 0.00 SOLV ATOM 16289 H1 TIP3 3432 -28.166 -10.466 11.755 0.00 0.00 SOLV ATOM 16290 H2 TIP3 3432 -29.684 -10.859 11.861 0.00 0.00 SOLV ATOM 16291 OH2 TIP3 3433 -30.004 -2.676 33.231 0.00 0.00 SOLV ATOM 16292 H1 TIP3 3433 -29.451 -1.930 32.982 0.00 0.00 SOLV ATOM 16293 H2 TIP3 3433 -30.124 -2.607 34.188 0.00 0.00 SOLV ATOM 16294 OH2 TIP3 3434 -1.647 -9.893 4.503 0.00 0.00 SOLV ATOM 16295 H1 TIP3 3434 -1.715 -8.951 4.357 0.00 0.00 SOLV ATOM 16296 H2 TIP3 3434 -1.554 -10.030 5.462 0.00 0.00 SOLV ATOM 16297 OH2 TIP3 3435 7.622 3.123 37.839 0.00 0.00 SOLV ATOM 16298 H1 TIP3 3435 7.126 3.936 37.528 0.00 0.00 SOLV ATOM 16299 H2 TIP3 3435 8.529 3.372 37.637 0.00 0.00 SOLV ATOM 16300 OH2 TIP3 3436 -22.922 4.395 26.335 0.00 0.00 SOLV ATOM 16301 H1 TIP3 3436 -23.477 3.711 25.927 0.00 0.00 SOLV ATOM 16302 H2 TIP3 3436 -22.199 3.904 26.713 0.00 0.00 SOLV ATOM 16303 OH2 TIP3 3437 -13.340 -2.314 39.869 0.00 0.00 SOLV ATOM 16304 H1 TIP3 3437 -13.085 -3.014 40.455 0.00 0.00 SOLV ATOM 16305 H2 TIP3 3437 -14.212 -2.035 40.261 0.00 0.00 SOLV ATOM 16306 OH2 TIP3 3438 -1.868 13.871 17.784 0.00 0.00 SOLV ATOM 16307 H1 TIP3 3438 -1.774 14.245 18.608 0.00 0.00 SOLV ATOM 16308 H2 TIP3 3438 -2.737 14.275 17.562 0.00 0.00 SOLV ATOM 16309 OH2 TIP3 3439 -34.427 -5.332 18.711 0.00 0.00 SOLV ATOM 16310 H1 TIP3 3439 -33.695 -4.964 19.298 0.00 0.00 SOLV ATOM 16311 H2 TIP3 3439 -34.273 -4.820 17.885 0.00 0.00 SOLV ATOM 16312 OH2 TIP3 3440 -11.958 23.701 -1.408 0.00 0.00 SOLV ATOM 16313 H1 TIP3 3440 -12.203 24.077 -2.217 0.00 0.00 SOLV ATOM 16314 H2 TIP3 3440 -12.712 23.175 -1.210 0.00 0.00 SOLV ATOM 16315 OH2 TIP3 3441 -16.144 -0.792 20.888 0.00 0.00 SOLV ATOM 16316 H1 TIP3 3441 -15.543 -1.560 21.048 0.00 0.00 SOLV ATOM 16317 H2 TIP3 3441 -16.745 -0.903 21.675 0.00 0.00 SOLV ATOM 16318 OH2 TIP3 3442 -35.275 -2.263 16.359 0.00 0.00 SOLV ATOM 16319 H1 TIP3 3442 -35.071 -1.309 16.555 0.00 0.00 SOLV ATOM 16320 H2 TIP3 3442 -36.199 -2.392 16.630 0.00 0.00 SOLV ATOM 16321 OH2 TIP3 3443 -31.714 12.769 20.241 0.00 0.00 SOLV ATOM 16322 H1 TIP3 3443 -30.969 12.714 20.837 0.00 0.00 SOLV ATOM 16323 H2 TIP3 3443 -32.368 12.620 20.951 0.00 0.00 SOLV ATOM 16324 OH2 TIP3 3444 -10.773 -9.355 4.756 0.00 0.00 SOLV ATOM 16325 H1 TIP3 3444 -10.175 -9.480 3.979 0.00 0.00 SOLV ATOM 16326 H2 TIP3 3444 -10.258 -8.699 5.215 0.00 0.00 SOLV ATOM 16327 OH2 TIP3 3445 -26.284 -4.057 31.640 0.00 0.00 SOLV ATOM 16328 H1 TIP3 3445 -25.986 -3.569 30.851 0.00 0.00 SOLV ATOM 16329 H2 TIP3 3445 -25.628 -3.758 32.272 0.00 0.00 SOLV ATOM 16330 OH2 TIP3 3446 -28.342 -0.192 36.086 0.00 0.00 SOLV ATOM 16331 H1 TIP3 3446 -27.823 -0.318 35.277 0.00 0.00 SOLV ATOM 16332 H2 TIP3 3446 -28.528 -1.154 36.230 0.00 0.00 SOLV ATOM 16333 OH2 TIP3 3447 -15.712 -10.813 39.502 0.00 0.00 SOLV ATOM 16334 H1 TIP3 3447 -16.365 -11.512 39.739 0.00 0.00 SOLV ATOM 16335 H2 TIP3 3447 -14.931 -11.004 40.117 0.00 0.00 SOLV ATOM 16336 OH2 TIP3 3448 -25.571 -11.806 10.497 0.00 0.00 SOLV ATOM 16337 H1 TIP3 3448 -26.173 -12.299 10.024 0.00 0.00 SOLV ATOM 16338 H2 TIP3 3448 -25.744 -11.993 11.483 0.00 0.00 SOLV ATOM 16339 OH2 TIP3 3449 -15.650 -4.268 23.042 0.00 0.00 SOLV ATOM 16340 H1 TIP3 3449 -15.004 -4.941 23.126 0.00 0.00 SOLV ATOM 16341 H2 TIP3 3449 -16.599 -4.722 23.031 0.00 0.00 SOLV ATOM 16342 OH2 TIP3 3450 -31.638 -8.044 9.651 0.00 0.00 SOLV ATOM 16343 H1 TIP3 3450 -31.006 -8.433 9.045 0.00 0.00 SOLV ATOM 16344 H2 TIP3 3450 -32.049 -8.816 10.003 0.00 0.00 SOLV ATOM 16345 OH2 TIP3 3451 -28.818 2.142 27.892 0.00 0.00 SOLV ATOM 16346 H1 TIP3 3451 -29.305 2.965 27.987 0.00 0.00 SOLV ATOM 16347 H2 TIP3 3451 -28.154 2.333 28.598 0.00 0.00 SOLV ATOM 16348 OH2 TIP3 3452 -27.812 -6.760 39.065 0.00 0.00 SOLV ATOM 16349 H1 TIP3 3452 -28.583 -6.668 39.644 0.00 0.00 SOLV ATOM 16350 H2 TIP3 3452 -27.136 -6.251 39.518 0.00 0.00 SOLV ATOM 16351 OH2 TIP3 3453 -33.062 -1.131 32.139 0.00 0.00 SOLV ATOM 16352 H1 TIP3 3453 -33.883 -1.178 31.642 0.00 0.00 SOLV ATOM 16353 H2 TIP3 3453 -32.527 -1.826 31.648 0.00 0.00 SOLV ATOM 16354 OH2 TIP3 3454 -27.243 0.498 29.793 0.00 0.00 SOLV ATOM 16355 H1 TIP3 3454 -26.304 0.544 30.034 0.00 0.00 SOLV ATOM 16356 H2 TIP3 3454 -27.252 0.398 28.835 0.00 0.00 SOLV ATOM 16357 OH2 TIP3 3455 -23.905 2.177 25.090 0.00 0.00 SOLV ATOM 16358 H1 TIP3 3455 -23.151 1.890 24.544 0.00 0.00 SOLV ATOM 16359 H2 TIP3 3455 -23.800 1.663 25.948 0.00 0.00 SOLV ATOM 16360 OH2 TIP3 3456 -34.039 -9.435 22.038 0.00 0.00 SOLV ATOM 16361 H1 TIP3 3456 -34.844 -9.185 22.359 0.00 0.00 SOLV ATOM 16362 H2 TIP3 3456 -33.521 -8.697 22.423 0.00 0.00 SOLV ATOM 16363 OH2 TIP3 3457 -31.567 6.136 16.094 0.00 0.00 SOLV ATOM 16364 H1 TIP3 3457 -31.325 5.259 16.422 0.00 0.00 SOLV ATOM 16365 H2 TIP3 3457 -31.629 6.703 16.844 0.00 0.00 SOLV ATOM 16366 OH2 TIP3 3458 -32.927 -20.614 23.305 0.00 0.00 SOLV ATOM 16367 H1 TIP3 3458 -33.129 -20.087 22.517 0.00 0.00 SOLV ATOM 16368 H2 TIP3 3458 -32.792 -19.892 23.992 0.00 0.00 SOLV ATOM 16369 OH2 TIP3 3459 -32.560 -5.987 31.502 0.00 0.00 SOLV ATOM 16370 H1 TIP3 3459 -32.067 -5.468 30.856 0.00 0.00 SOLV ATOM 16371 H2 TIP3 3459 -32.237 -6.898 31.323 0.00 0.00 SOLV ATOM 16372 OH2 TIP3 3460 -24.121 -2.569 44.477 0.00 0.00 SOLV ATOM 16373 H1 TIP3 3460 -23.968 -3.493 44.147 0.00 0.00 SOLV ATOM 16374 H2 TIP3 3460 -23.791 -2.525 45.411 0.00 0.00 SOLV ATOM 16375 OH2 TIP3 3461 -30.365 13.204 17.311 0.00 0.00 SOLV ATOM 16376 H1 TIP3 3461 -30.836 13.152 18.142 0.00 0.00 SOLV ATOM 16377 H2 TIP3 3461 -30.898 13.836 16.717 0.00 0.00 SOLV ATOM 16378 OH2 TIP3 3462 -33.921 1.281 20.587 0.00 0.00 SOLV ATOM 16379 H1 TIP3 3462 -33.263 1.099 19.898 0.00 0.00 SOLV ATOM 16380 H2 TIP3 3462 -33.377 1.770 21.222 0.00 0.00 SOLV ATOM 16381 OH2 TIP3 3463 -33.316 7.726 20.590 0.00 0.00 SOLV ATOM 16382 H1 TIP3 3463 -33.340 6.738 20.298 0.00 0.00 SOLV ATOM 16383 H2 TIP3 3463 -33.680 7.779 21.413 0.00 0.00 SOLV ATOM 16384 OH2 TIP3 3464 -7.829 18.403 16.308 0.00 0.00 SOLV ATOM 16385 H1 TIP3 3464 -6.984 18.009 16.677 0.00 0.00 SOLV ATOM 16386 H2 TIP3 3464 -8.460 17.816 16.663 0.00 0.00 SOLV ATOM 16387 OH2 TIP3 3465 -13.357 17.077 20.367 0.00 0.00 SOLV ATOM 16388 H1 TIP3 3465 -12.543 16.684 20.007 0.00 0.00 SOLV ATOM 16389 H2 TIP3 3465 -13.928 16.343 20.689 0.00 0.00 SOLV ATOM 16390 OH2 TIP3 3466 -35.571 -0.276 22.812 0.00 0.00 SOLV ATOM 16391 H1 TIP3 3466 -35.649 0.519 22.284 0.00 0.00 SOLV ATOM 16392 H2 TIP3 3466 -35.364 0.090 23.687 0.00 0.00 SOLV ATOM 16393 OH2 TIP3 3467 -27.442 13.104 28.162 0.00 0.00 SOLV ATOM 16394 H1 TIP3 3467 -28.096 12.422 28.100 0.00 0.00 SOLV ATOM 16395 H2 TIP3 3467 -26.672 12.626 28.520 0.00 0.00 SOLV ATOM 16396 OH2 TIP3 3468 -32.774 6.174 11.163 0.00 0.00 SOLV ATOM 16397 H1 TIP3 3468 -33.263 6.080 12.051 0.00 0.00 SOLV ATOM 16398 H2 TIP3 3468 -32.585 5.276 10.955 0.00 0.00 SOLV ATOM 16399 OH2 TIP3 3469 -33.158 11.235 22.218 0.00 0.00 SOLV ATOM 16400 H1 TIP3 3469 -33.530 10.628 22.898 0.00 0.00 SOLV ATOM 16401 H2 TIP3 3469 -33.103 10.647 21.442 0.00 0.00 SOLV ATOM 16402 OH2 TIP3 3470 -31.379 4.452 13.616 0.00 0.00 SOLV ATOM 16403 H1 TIP3 3470 -32.263 4.377 13.335 0.00 0.00 SOLV ATOM 16404 H2 TIP3 3470 -31.423 5.092 14.349 0.00 0.00 SOLV ATOM 16405 OH2 TIP3 3471 4.857 -7.923 41.503 0.00 0.00 SOLV ATOM 16406 H1 TIP3 3471 4.066 -7.610 41.085 0.00 0.00 SOLV ATOM 16407 H2 TIP3 3471 4.478 -8.663 42.014 0.00 0.00 SOLV ATOM 16408 OH2 TIP3 3472 -37.419 7.144 23.905 0.00 0.00 SOLV ATOM 16409 H1 TIP3 3472 -37.914 7.290 24.770 0.00 0.00 SOLV ATOM 16410 H2 TIP3 3472 -38.127 7.472 23.283 0.00 0.00 SOLV ATOM 16411 OH2 TIP3 3473 -15.931 14.713 28.739 0.00 0.00 SOLV ATOM 16412 H1 TIP3 3473 -16.092 14.995 29.648 0.00 0.00 SOLV ATOM 16413 H2 TIP3 3473 -16.929 14.605 28.474 0.00 0.00 SOLV ATOM 16414 OH2 TIP3 3474 -29.628 11.421 11.031 0.00 0.00 SOLV ATOM 16415 H1 TIP3 3474 -30.361 10.923 11.473 0.00 0.00 SOLV ATOM 16416 H2 TIP3 3474 -29.499 12.100 11.659 0.00 0.00 SOLV ATOM 16417 OH2 TIP3 3475 -20.275 12.369 27.440 0.00 0.00 SOLV ATOM 16418 H1 TIP3 3475 -21.104 11.917 27.669 0.00 0.00 SOLV ATOM 16419 H2 TIP3 3475 -20.064 12.038 26.594 0.00 0.00 SOLV ATOM 16420 OH2 TIP3 3476 -16.952 -43.612 24.153 0.00 0.00 SOLV ATOM 16421 H1 TIP3 3476 -16.829 -43.139 25.029 0.00 0.00 SOLV ATOM 16422 H2 TIP3 3476 -17.875 -43.629 24.018 0.00 0.00 SOLV ATOM 16423 OH2 TIP3 3477 -5.154 24.109 -18.851 0.00 0.00 SOLV ATOM 16424 H1 TIP3 3477 -6.103 24.176 -18.667 0.00 0.00 SOLV ATOM 16425 H2 TIP3 3477 -5.159 23.699 -19.740 0.00 0.00 SOLV ATOM 16426 OH2 TIP3 3478 -30.793 14.592 22.544 0.00 0.00 SOLV ATOM 16427 H1 TIP3 3478 -30.176 13.863 22.506 0.00 0.00 SOLV ATOM 16428 H2 TIP3 3478 -31.177 14.527 23.460 0.00 0.00 SOLV ATOM 16429 OH2 TIP3 3479 -39.210 7.859 15.779 0.00 0.00 SOLV ATOM 16430 H1 TIP3 3479 -39.456 7.949 14.827 0.00 0.00 SOLV ATOM 16431 H2 TIP3 3479 -38.245 7.617 15.705 0.00 0.00 SOLV ATOM 16432 OH2 TIP3 3480 21.931 14.062 21.703 0.00 0.00 SOLV ATOM 16433 H1 TIP3 3480 21.725 14.979 21.525 0.00 0.00 SOLV ATOM 16434 H2 TIP3 3480 22.415 14.116 22.501 0.00 0.00 SOLV ATOM 16435 OH2 TIP3 3481 19.512 11.811 31.114 0.00 0.00 SOLV ATOM 16436 H1 TIP3 3481 20.015 12.569 30.968 0.00 0.00 SOLV ATOM 16437 H2 TIP3 3481 20.216 11.330 31.705 0.00 0.00 SOLV ATOM 16438 OH2 TIP3 3482 -18.445 14.375 28.235 0.00 0.00 SOLV ATOM 16439 H1 TIP3 3482 -19.024 13.519 28.169 0.00 0.00 SOLV ATOM 16440 H2 TIP3 3482 -19.096 14.850 28.810 0.00 0.00 SOLV ATOM 16441 OH2 TIP3 3483 -28.448 12.445 13.897 0.00 0.00 SOLV ATOM 16442 H1 TIP3 3483 -28.023 11.911 13.224 0.00 0.00 SOLV ATOM 16443 H2 TIP3 3483 -27.782 12.657 14.519 0.00 0.00 SOLV ATOM 16444 OH2 TIP3 3484 -16.433 -9.710 37.184 0.00 0.00 SOLV ATOM 16445 H1 TIP3 3484 -15.658 -9.409 36.755 0.00 0.00 SOLV ATOM 16446 H2 TIP3 3484 -15.994 -10.163 37.906 0.00 0.00 SOLV ATOM 16447 OH2 TIP3 3485 -19.272 11.885 31.346 0.00 0.00 SOLV ATOM 16448 H1 TIP3 3485 -20.255 11.674 31.364 0.00 0.00 SOLV ATOM 16449 H2 TIP3 3485 -19.281 12.621 30.709 0.00 0.00 SOLV ATOM 16450 OH2 TIP3 3486 -19.661 -31.977 37.797 0.00 0.00 SOLV ATOM 16451 H1 TIP3 3486 -19.252 -32.374 37.110 0.00 0.00 SOLV ATOM 16452 H2 TIP3 3486 -19.866 -31.070 37.487 0.00 0.00 SOLV ATOM 16453 OH2 TIP3 3487 -6.087 -33.945 33.070 0.00 0.00 SOLV ATOM 16454 H1 TIP3 3487 -6.762 -33.945 33.784 0.00 0.00 SOLV ATOM 16455 H2 TIP3 3487 -5.704 -33.025 33.189 0.00 0.00 SOLV ATOM 16456 OH2 TIP3 3488 -16.384 12.067 30.935 0.00 0.00 SOLV ATOM 16457 H1 TIP3 3488 -16.557 12.843 30.365 0.00 0.00 SOLV ATOM 16458 H2 TIP3 3488 -17.252 11.560 30.870 0.00 0.00 SOLV ATOM 16459 OH2 TIP3 3489 -16.794 9.372 35.641 0.00 0.00 SOLV ATOM 16460 H1 TIP3 3489 -17.295 9.199 34.826 0.00 0.00 SOLV ATOM 16461 H2 TIP3 3489 -16.369 8.518 35.879 0.00 0.00 SOLV ATOM 16462 OH2 TIP3 3490 -20.720 17.497 -3.835 0.00 0.00 SOLV ATOM 16463 H1 TIP3 3490 -20.246 18.021 -4.470 0.00 0.00 SOLV ATOM 16464 H2 TIP3 3490 -20.076 16.873 -3.628 0.00 0.00 SOLV ATOM 16465 OH2 TIP3 3491 -1.772 -31.025 28.700 0.00 0.00 SOLV ATOM 16466 H1 TIP3 3491 -2.604 -31.174 29.263 0.00 0.00 SOLV ATOM 16467 H2 TIP3 3491 -2.129 -30.673 27.912 0.00 0.00 SOLV ATOM 16468 OH2 TIP3 3492 2.150 4.487 36.084 0.00 0.00 SOLV ATOM 16469 H1 TIP3 3492 2.729 5.259 36.118 0.00 0.00 SOLV ATOM 16470 H2 TIP3 3492 1.234 4.815 36.017 0.00 0.00 SOLV ATOM 16471 OH2 TIP3 3493 -21.433 -35.220 26.707 0.00 0.00 SOLV ATOM 16472 H1 TIP3 3493 -20.969 -34.318 26.812 0.00 0.00 SOLV ATOM 16473 H2 TIP3 3493 -20.798 -35.764 26.165 0.00 0.00 SOLV ATOM 16474 OH2 TIP3 3494 -10.321 3.530 41.047 0.00 0.00 SOLV ATOM 16475 H1 TIP3 3494 -9.915 2.621 40.968 0.00 0.00 SOLV ATOM 16476 H2 TIP3 3494 -9.547 4.050 40.747 0.00 0.00 SOLV ATOM 16477 OH2 TIP3 3495 -24.309 -31.084 14.178 0.00 0.00 SOLV ATOM 16478 H1 TIP3 3495 -24.594 -30.447 13.511 0.00 0.00 SOLV ATOM 16479 H2 TIP3 3495 -24.185 -30.474 15.002 0.00 0.00 SOLV ATOM 16480 OH2 TIP3 3496 -23.665 13.248 23.900 0.00 0.00 SOLV ATOM 16481 H1 TIP3 3496 -23.958 14.020 24.482 0.00 0.00 SOLV ATOM 16482 H2 TIP3 3496 -24.413 13.150 23.250 0.00 0.00 SOLV ATOM 16483 OH2 TIP3 3497 -22.807 -31.030 17.170 0.00 0.00 SOLV ATOM 16484 H1 TIP3 3497 -23.042 -30.089 17.253 0.00 0.00 SOLV ATOM 16485 H2 TIP3 3497 -21.849 -31.010 17.066 0.00 0.00 SOLV ATOM 16486 OH2 TIP3 3498 -14.972 21.380 3.501 0.00 0.00 SOLV ATOM 16487 H1 TIP3 3498 -15.205 22.281 3.625 0.00 0.00 SOLV ATOM 16488 H2 TIP3 3498 -15.782 20.926 3.834 0.00 0.00 SOLV ATOM 16489 OH2 TIP3 3499 -16.965 -37.563 18.362 0.00 0.00 SOLV ATOM 16490 H1 TIP3 3499 -16.593 -36.653 18.259 0.00 0.00 SOLV ATOM 16491 H2 TIP3 3499 -17.517 -37.658 17.572 0.00 0.00 SOLV ATOM 16492 OH2 TIP3 3500 -27.245 -18.624 26.080 0.00 0.00 SOLV ATOM 16493 H1 TIP3 3500 -28.199 -18.670 26.229 0.00 0.00 SOLV ATOM 16494 H2 TIP3 3500 -27.116 -18.374 25.198 0.00 0.00 SOLV ATOM 16495 OH2 TIP3 3501 -20.157 -33.997 16.011 0.00 0.00 SOLV ATOM 16496 H1 TIP3 3501 -19.384 -33.345 15.944 0.00 0.00 SOLV ATOM 16497 H2 TIP3 3501 -20.952 -33.481 15.975 0.00 0.00 SOLV ATOM 16498 OH2 TIP3 3502 -13.692 -38.359 19.962 0.00 0.00 SOLV ATOM 16499 H1 TIP3 3502 -13.671 -38.716 19.019 0.00 0.00 SOLV ATOM 16500 H2 TIP3 3502 -13.664 -37.403 19.794 0.00 0.00 SOLV ATOM 16501 OH2 TIP3 3503 -17.860 -30.082 35.683 0.00 0.00 SOLV ATOM 16502 H1 TIP3 3503 -18.509 -29.632 35.155 0.00 0.00 SOLV ATOM 16503 H2 TIP3 3503 -17.378 -29.384 36.127 0.00 0.00 SOLV ATOM 16504 OH2 TIP3 3504 -27.566 -23.663 40.809 0.00 0.00 SOLV ATOM 16505 H1 TIP3 3504 -27.418 -24.636 40.949 0.00 0.00 SOLV ATOM 16506 H2 TIP3 3504 -28.137 -23.551 40.007 0.00 0.00 SOLV ATOM 16507 OH2 TIP3 3505 -26.531 -27.123 31.655 0.00 0.00 SOLV ATOM 16508 H1 TIP3 3505 -25.676 -27.128 31.223 0.00 0.00 SOLV ATOM 16509 H2 TIP3 3505 -26.575 -28.007 32.059 0.00 0.00 SOLV ATOM 16510 OH2 TIP3 3506 -26.309 -35.183 16.469 0.00 0.00 SOLV ATOM 16511 H1 TIP3 3506 -25.838 -34.628 15.805 0.00 0.00 SOLV ATOM 16512 H2 TIP3 3506 -27.179 -34.750 16.532 0.00 0.00 SOLV ATOM 16513 OH2 TIP3 3507 -19.610 -28.169 7.769 0.00 0.00 SOLV ATOM 16514 H1 TIP3 3507 -18.952 -27.994 7.075 0.00 0.00 SOLV ATOM 16515 H2 TIP3 3507 -19.624 -29.141 7.851 0.00 0.00 SOLV ATOM 16516 OH2 TIP3 3508 -12.692 -41.249 18.621 0.00 0.00 SOLV ATOM 16517 H1 TIP3 3508 -12.436 -42.175 18.336 0.00 0.00 SOLV ATOM 16518 H2 TIP3 3508 -12.875 -41.349 19.559 0.00 0.00 SOLV ATOM 16519 OH2 TIP3 3509 -10.663 -27.747 36.409 0.00 0.00 SOLV ATOM 16520 H1 TIP3 3509 -9.759 -27.662 36.776 0.00 0.00 SOLV ATOM 16521 H2 TIP3 3509 -10.859 -28.704 36.279 0.00 0.00 SOLV ATOM 16522 OH2 TIP3 3510 -10.258 -3.254 35.416 0.00 0.00 SOLV ATOM 16523 H1 TIP3 3510 -11.073 -3.498 34.883 0.00 0.00 SOLV ATOM 16524 H2 TIP3 3510 -10.194 -3.951 36.085 0.00 0.00 SOLV ATOM 16525 OH2 TIP3 3511 -24.783 -14.925 24.978 0.00 0.00 SOLV ATOM 16526 H1 TIP3 3511 -24.490 -14.755 25.838 0.00 0.00 SOLV ATOM 16527 H2 TIP3 3511 -25.732 -14.973 25.159 0.00 0.00 SOLV ATOM 16528 OH2 TIP3 3512 -15.819 -35.033 36.028 0.00 0.00 SOLV ATOM 16529 H1 TIP3 3512 -15.789 -35.094 37.016 0.00 0.00 SOLV ATOM 16530 H2 TIP3 3512 -16.461 -35.789 35.874 0.00 0.00 SOLV ATOM 16531 OH2 TIP3 3513 -19.259 -31.934 47.505 0.00 0.00 SOLV ATOM 16532 H1 TIP3 3513 -18.362 -31.784 47.304 0.00 0.00 SOLV ATOM 16533 H2 TIP3 3513 -19.586 -32.449 46.744 0.00 0.00 SOLV ATOM 16534 OH2 TIP3 3514 -16.480 -22.462 52.613 0.00 0.00 SOLV ATOM 16535 H1 TIP3 3514 -16.615 -21.858 51.864 0.00 0.00 SOLV ATOM 16536 H2 TIP3 3514 -16.501 -23.361 52.195 0.00 0.00 SOLV ATOM 16537 OH2 TIP3 3515 -15.425 -32.241 9.362 0.00 0.00 SOLV ATOM 16538 H1 TIP3 3515 -15.556 -32.693 10.240 0.00 0.00 SOLV ATOM 16539 H2 TIP3 3515 -15.236 -33.038 8.774 0.00 0.00 SOLV ATOM 16540 OH2 TIP3 3516 -13.883 -35.596 14.545 0.00 0.00 SOLV ATOM 16541 H1 TIP3 3516 -13.986 -35.658 15.499 0.00 0.00 SOLV ATOM 16542 H2 TIP3 3516 -13.106 -36.127 14.357 0.00 0.00 SOLV ATOM 16543 OH2 TIP3 3517 -27.898 -19.608 13.733 0.00 0.00 SOLV ATOM 16544 H1 TIP3 3517 -27.796 -18.764 13.370 0.00 0.00 SOLV ATOM 16545 H2 TIP3 3517 -27.727 -19.435 14.681 0.00 0.00 SOLV ATOM 16546 OH2 TIP3 3518 -6.202 -18.103 45.135 0.00 0.00 SOLV ATOM 16547 H1 TIP3 3518 -5.916 -18.776 44.520 0.00 0.00 SOLV ATOM 16548 H2 TIP3 3518 -6.876 -18.559 45.719 0.00 0.00 SOLV ATOM 16549 OH2 TIP3 3519 -20.298 -22.394 26.523 0.00 0.00 SOLV ATOM 16550 H1 TIP3 3519 -20.625 -22.693 27.375 0.00 0.00 SOLV ATOM 16551 H2 TIP3 3519 -19.316 -22.533 26.590 0.00 0.00 SOLV ATOM 16552 OH2 TIP3 3520 11.487 -24.526 35.986 0.00 0.00 SOLV ATOM 16553 H1 TIP3 3520 10.961 -23.786 36.324 0.00 0.00 SOLV ATOM 16554 H2 TIP3 3520 12.226 -23.953 35.598 0.00 0.00 SOLV ATOM 16555 OH2 TIP3 3521 -23.997 -26.765 26.616 0.00 0.00 SOLV ATOM 16556 H1 TIP3 3521 -23.606 -27.415 25.991 0.00 0.00 SOLV ATOM 16557 H2 TIP3 3521 -24.371 -27.187 27.406 0.00 0.00 SOLV ATOM 16558 OH2 TIP3 3522 -25.171 -29.461 38.500 0.00 0.00 SOLV ATOM 16559 H1 TIP3 3522 -25.438 -28.487 38.426 0.00 0.00 SOLV ATOM 16560 H2 TIP3 3522 -25.592 -29.785 39.350 0.00 0.00 SOLV ATOM 16561 OH2 TIP3 3523 -16.403 -38.421 40.626 0.00 0.00 SOLV ATOM 16562 H1 TIP3 3523 -16.778 -37.579 40.889 0.00 0.00 SOLV ATOM 16563 H2 TIP3 3523 -15.883 -38.691 41.393 0.00 0.00 SOLV ATOM 16564 OH2 TIP3 3524 -23.710 -29.708 9.779 0.00 0.00 SOLV ATOM 16565 H1 TIP3 3524 -23.429 -30.587 9.491 0.00 0.00 SOLV ATOM 16566 H2 TIP3 3524 -23.752 -29.755 10.766 0.00 0.00 SOLV ATOM 16567 OH2 TIP3 3525 -22.234 -25.213 11.404 0.00 0.00 SOLV ATOM 16568 H1 TIP3 3525 -22.015 -25.993 10.877 0.00 0.00 SOLV ATOM 16569 H2 TIP3 3525 -22.564 -25.598 12.202 0.00 0.00 SOLV ATOM 16570 OH2 TIP3 3526 -24.137 -17.690 14.762 0.00 0.00 SOLV ATOM 16571 H1 TIP3 3526 -23.921 -16.728 14.691 0.00 0.00 SOLV ATOM 16572 H2 TIP3 3526 -23.289 -18.139 14.639 0.00 0.00 SOLV ATOM 16573 OH2 TIP3 3527 -21.934 -32.532 14.217 0.00 0.00 SOLV ATOM 16574 H1 TIP3 3527 -22.700 -32.070 14.608 0.00 0.00 SOLV ATOM 16575 H2 TIP3 3527 -22.256 -32.708 13.302 0.00 0.00 SOLV ATOM 16576 OH2 TIP3 3528 -18.426 -21.923 15.420 0.00 0.00 SOLV ATOM 16577 H1 TIP3 3528 -17.508 -21.719 15.343 0.00 0.00 SOLV ATOM 16578 H2 TIP3 3528 -18.532 -22.731 15.956 0.00 0.00 SOLV ATOM 16579 OH2 TIP3 3529 -30.507 -24.036 35.033 0.00 0.00 SOLV ATOM 16580 H1 TIP3 3529 -29.860 -24.695 34.742 0.00 0.00 SOLV ATOM 16581 H2 TIP3 3529 -31.284 -24.541 35.318 0.00 0.00 SOLV ATOM 16582 OH2 TIP3 3530 -14.294 -35.590 44.535 0.00 0.00 SOLV ATOM 16583 H1 TIP3 3530 -13.772 -35.121 43.891 0.00 0.00 SOLV ATOM 16584 H2 TIP3 3530 -13.947 -36.484 44.464 0.00 0.00 SOLV ATOM 16585 OH2 TIP3 3531 -20.834 -15.082 43.361 0.00 0.00 SOLV ATOM 16586 H1 TIP3 3531 -19.981 -15.085 43.952 0.00 0.00 SOLV ATOM 16587 H2 TIP3 3531 -21.376 -14.281 43.669 0.00 0.00 SOLV ATOM 16588 OH2 TIP3 3532 -10.756 -33.135 37.329 0.00 0.00 SOLV ATOM 16589 H1 TIP3 3532 -11.371 -33.819 37.212 0.00 0.00 SOLV ATOM 16590 H2 TIP3 3532 -10.906 -32.769 38.189 0.00 0.00 SOLV ATOM 16591 OH2 TIP3 3533 -12.778 -24.392 53.870 0.00 0.00 SOLV ATOM 16592 H1 TIP3 3533 -11.826 -24.296 53.690 0.00 0.00 SOLV ATOM 16593 H2 TIP3 3533 -13.074 -24.859 53.161 0.00 0.00 SOLV ATOM 16594 OH2 TIP3 3534 -23.385 -18.498 43.837 0.00 0.00 SOLV ATOM 16595 H1 TIP3 3534 -23.516 -18.854 42.975 0.00 0.00 SOLV ATOM 16596 H2 TIP3 3534 -23.164 -17.544 43.717 0.00 0.00 SOLV ATOM 16597 OH2 TIP3 3535 -24.064 -22.961 11.371 0.00 0.00 SOLV ATOM 16598 H1 TIP3 3535 -24.448 -23.485 12.036 0.00 0.00 SOLV ATOM 16599 H2 TIP3 3535 -23.269 -23.476 11.103 0.00 0.00 SOLV ATOM 16600 OH2 TIP3 3536 -13.188 -20.655 7.581 0.00 0.00 SOLV ATOM 16601 H1 TIP3 3536 -13.486 -20.088 8.283 0.00 0.00 SOLV ATOM 16602 H2 TIP3 3536 -13.940 -20.630 6.960 0.00 0.00 SOLV ATOM 16603 OH2 TIP3 3537 -7.532 -30.355 34.384 0.00 0.00 SOLV ATOM 16604 H1 TIP3 3537 -7.804 -30.074 35.252 0.00 0.00 SOLV ATOM 16605 H2 TIP3 3537 -6.755 -29.828 34.196 0.00 0.00 SOLV ATOM 16606 OH2 TIP3 3538 -25.189 -33.711 14.620 0.00 0.00 SOLV ATOM 16607 H1 TIP3 3538 -25.386 -34.031 13.728 0.00 0.00 SOLV ATOM 16608 H2 TIP3 3538 -24.976 -32.802 14.406 0.00 0.00 SOLV ATOM 16609 OH2 TIP3 3539 -22.066 -28.160 40.787 0.00 0.00 SOLV ATOM 16610 H1 TIP3 3539 -22.229 -29.094 40.917 0.00 0.00 SOLV ATOM 16611 H2 TIP3 3539 -22.088 -27.732 41.661 0.00 0.00 SOLV ATOM 16612 OH2 TIP3 3540 -30.446 -17.224 37.388 0.00 0.00 SOLV ATOM 16613 H1 TIP3 3540 -30.269 -18.136 37.063 0.00 0.00 SOLV ATOM 16614 H2 TIP3 3540 -30.022 -16.651 36.743 0.00 0.00 SOLV ATOM 16615 OH2 TIP3 3541 -27.807 -14.083 37.618 0.00 0.00 SOLV ATOM 16616 H1 TIP3 3541 -27.788 -14.847 37.092 0.00 0.00 SOLV ATOM 16617 H2 TIP3 3541 -27.598 -13.418 36.979 0.00 0.00 SOLV ATOM 16618 OH2 TIP3 3542 -15.025 -17.220 17.061 0.00 0.00 SOLV ATOM 16619 H1 TIP3 3542 -15.421 -16.332 17.155 0.00 0.00 SOLV ATOM 16620 H2 TIP3 3542 -14.187 -16.995 16.607 0.00 0.00 SOLV ATOM 16621 OH2 TIP3 3543 -35.952 -1.921 8.191 0.00 0.00 SOLV ATOM 16622 H1 TIP3 3543 -35.034 -1.868 8.511 0.00 0.00 SOLV ATOM 16623 H2 TIP3 3543 -36.108 -2.860 8.142 0.00 0.00 SOLV ATOM 16624 OH2 TIP3 3544 -29.420 -11.189 23.931 0.00 0.00 SOLV ATOM 16625 H1 TIP3 3544 -28.999 -11.503 24.800 0.00 0.00 SOLV ATOM 16626 H2 TIP3 3544 -28.988 -11.833 23.301 0.00 0.00 SOLV ATOM 16627 OH2 TIP3 3545 -22.170 -8.242 23.771 0.00 0.00 SOLV ATOM 16628 H1 TIP3 3545 -22.844 -7.910 24.333 0.00 0.00 SOLV ATOM 16629 H2 TIP3 3545 -22.433 -7.884 22.908 0.00 0.00 SOLV ATOM 16630 OH2 TIP3 3546 -30.382 -26.799 33.438 0.00 0.00 SOLV ATOM 16631 H1 TIP3 3546 -31.051 -26.770 34.168 0.00 0.00 SOLV ATOM 16632 H2 TIP3 3546 -30.057 -27.685 33.556 0.00 0.00 SOLV ATOM 16633 OH2 TIP3 3547 6.884 -9.752 41.377 0.00 0.00 SOLV ATOM 16634 H1 TIP3 3547 6.712 -10.049 40.454 0.00 0.00 SOLV ATOM 16635 H2 TIP3 3547 6.298 -8.978 41.457 0.00 0.00 SOLV ATOM 16636 OH2 TIP3 3548 -22.613 -13.339 41.688 0.00 0.00 SOLV ATOM 16637 H1 TIP3 3548 -23.181 -14.001 42.132 0.00 0.00 SOLV ATOM 16638 H2 TIP3 3548 -22.772 -13.513 40.771 0.00 0.00 SOLV ATOM 16639 OH2 TIP3 3549 -22.501 -31.004 41.478 0.00 0.00 SOLV ATOM 16640 H1 TIP3 3549 -21.959 -31.471 42.167 0.00 0.00 SOLV ATOM 16641 H2 TIP3 3549 -22.464 -31.611 40.738 0.00 0.00 SOLV ATOM 16642 OH2 TIP3 3550 -12.821 -29.534 44.042 0.00 0.00 SOLV ATOM 16643 H1 TIP3 3550 -13.583 -29.869 43.686 0.00 0.00 SOLV ATOM 16644 H2 TIP3 3550 -12.531 -28.835 43.361 0.00 0.00 SOLV ATOM 16645 OH2 TIP3 3551 -27.524 -4.180 13.349 0.00 0.00 SOLV ATOM 16646 H1 TIP3 3551 -27.148 -4.869 13.887 0.00 0.00 SOLV ATOM 16647 H2 TIP3 3551 -27.073 -4.217 12.502 0.00 0.00 SOLV ATOM 16648 OH2 TIP3 3552 -19.467 -3.387 26.966 0.00 0.00 SOLV ATOM 16649 H1 TIP3 3552 -20.395 -3.252 26.778 0.00 0.00 SOLV ATOM 16650 H2 TIP3 3552 -19.517 -3.592 27.982 0.00 0.00 SOLV ATOM 16651 OH2 TIP3 3553 -21.855 -16.680 9.469 0.00 0.00 SOLV ATOM 16652 H1 TIP3 3553 -22.012 -17.613 9.401 0.00 0.00 SOLV ATOM 16653 H2 TIP3 3553 -22.748 -16.331 9.753 0.00 0.00 SOLV ATOM 16654 OH2 TIP3 3554 -31.363 -17.297 19.781 0.00 0.00 SOLV ATOM 16655 H1 TIP3 3554 -31.449 -16.370 19.450 0.00 0.00 SOLV ATOM 16656 H2 TIP3 3554 -30.623 -17.194 20.447 0.00 0.00 SOLV ATOM 16657 OH2 TIP3 3555 -19.519 -6.765 36.073 0.00 0.00 SOLV ATOM 16658 H1 TIP3 3555 -18.880 -6.254 36.632 0.00 0.00 SOLV ATOM 16659 H2 TIP3 3555 -19.628 -7.574 36.503 0.00 0.00 SOLV ATOM 16660 OH2 TIP3 3556 -28.242 -7.478 18.388 0.00 0.00 SOLV ATOM 16661 H1 TIP3 3556 -27.508 -7.120 17.815 0.00 0.00 SOLV ATOM 16662 H2 TIP3 3556 -28.845 -6.710 18.295 0.00 0.00 SOLV ATOM 16663 OH2 TIP3 3557 -14.402 -12.452 43.014 0.00 0.00 SOLV ATOM 16664 H1 TIP3 3557 -14.099 -12.004 43.800 0.00 0.00 SOLV ATOM 16665 H2 TIP3 3557 -14.953 -13.181 43.424 0.00 0.00 SOLV ATOM 16666 OH2 TIP3 3558 -27.605 -5.060 36.655 0.00 0.00 SOLV ATOM 16667 H1 TIP3 3558 -27.606 -5.670 37.395 0.00 0.00 SOLV ATOM 16668 H2 TIP3 3558 -27.993 -5.599 35.892 0.00 0.00 SOLV ATOM 16669 OH2 TIP3 3559 21.616 -21.174 31.898 0.00 0.00 SOLV ATOM 16670 H1 TIP3 3559 20.904 -20.468 31.893 0.00 0.00 SOLV ATOM 16671 H2 TIP3 3559 21.184 -21.891 31.315 0.00 0.00 SOLV ATOM 16672 OH2 TIP3 3560 4.186 -18.565 40.237 0.00 0.00 SOLV ATOM 16673 H1 TIP3 3560 4.819 -17.858 40.303 0.00 0.00 SOLV ATOM 16674 H2 TIP3 3560 4.094 -18.806 41.182 0.00 0.00 SOLV ATOM 16675 OH2 TIP3 3561 -18.622 -3.784 46.411 0.00 0.00 SOLV ATOM 16676 H1 TIP3 3561 -18.539 -4.701 46.142 0.00 0.00 SOLV ATOM 16677 H2 TIP3 3561 -17.673 -3.464 46.338 0.00 0.00 SOLV ATOM 16678 OH2 TIP3 3562 -24.581 -17.621 11.847 0.00 0.00 SOLV ATOM 16679 H1 TIP3 3562 -24.497 -17.239 12.704 0.00 0.00 SOLV ATOM 16680 H2 TIP3 3562 -24.663 -18.576 11.994 0.00 0.00 SOLV ATOM 16681 OH2 TIP3 3563 21.691 -5.889 8.736 0.00 0.00 SOLV ATOM 16682 H1 TIP3 3563 21.385 -5.069 9.209 0.00 0.00 SOLV ATOM 16683 H2 TIP3 3563 21.670 -6.614 9.373 0.00 0.00 SOLV ATOM 16684 OH2 TIP3 3564 -17.793 -17.209 23.128 0.00 0.00 SOLV ATOM 16685 H1 TIP3 3564 -17.891 -16.564 22.394 0.00 0.00 SOLV ATOM 16686 H2 TIP3 3564 -17.892 -16.589 23.937 0.00 0.00 SOLV ATOM 16687 OH2 TIP3 3565 -23.784 -5.040 16.798 0.00 0.00 SOLV ATOM 16688 H1 TIP3 3565 -22.854 -5.450 16.708 0.00 0.00 SOLV ATOM 16689 H2 TIP3 3565 -23.683 -4.184 16.385 0.00 0.00 SOLV ATOM 16690 OH2 TIP3 3566 -30.089 -3.520 14.914 0.00 0.00 SOLV ATOM 16691 H1 TIP3 3566 -29.213 -3.543 14.470 0.00 0.00 SOLV ATOM 16692 H2 TIP3 3566 -30.648 -4.028 14.322 0.00 0.00 SOLV ATOM 16693 OH2 TIP3 3567 11.723 6.190 36.657 0.00 0.00 SOLV ATOM 16694 H1 TIP3 3567 12.438 5.558 36.526 0.00 0.00 SOLV ATOM 16695 H2 TIP3 3567 12.097 6.798 37.285 0.00 0.00 SOLV ATOM 16696 OH2 TIP3 3568 -14.087 -29.102 25.856 0.00 0.00 SOLV ATOM 16697 H1 TIP3 3568 -14.182 -28.377 26.469 0.00 0.00 SOLV ATOM 16698 H2 TIP3 3568 -13.831 -28.684 24.999 0.00 0.00 SOLV ATOM 16699 OH2 TIP3 3569 -10.905 13.848 24.224 0.00 0.00 SOLV ATOM 16700 H1 TIP3 3569 -11.234 13.225 24.858 0.00 0.00 SOLV ATOM 16701 H2 TIP3 3569 -11.311 13.583 23.374 0.00 0.00 SOLV ATOM 16702 OH2 TIP3 3570 -20.513 -12.391 45.726 0.00 0.00 SOLV ATOM 16703 H1 TIP3 3570 -20.458 -12.641 44.757 0.00 0.00 SOLV ATOM 16704 H2 TIP3 3570 -21.079 -11.594 45.647 0.00 0.00 SOLV ATOM 16705 OH2 TIP3 3571 -8.652 -30.255 51.512 0.00 0.00 SOLV ATOM 16706 H1 TIP3 3571 -8.406 -31.027 52.021 0.00 0.00 SOLV ATOM 16707 H2 TIP3 3571 -8.849 -29.673 52.195 0.00 0.00 SOLV ATOM 16708 OH2 TIP3 3572 -4.292 -3.369 6.311 0.00 0.00 SOLV ATOM 16709 H1 TIP3 3572 -4.827 -3.338 7.128 0.00 0.00 SOLV ATOM 16710 H2 TIP3 3572 -4.935 -2.982 5.592 0.00 0.00 SOLV ATOM 16711 OH2 TIP3 3573 -18.942 0.864 -19.731 0.00 0.00 SOLV ATOM 16712 H1 TIP3 3573 -19.039 -0.061 -19.494 0.00 0.00 SOLV ATOM 16713 H2 TIP3 3573 -19.552 0.973 -20.505 0.00 0.00 SOLV ATOM 16714 OH2 TIP3 3574 -12.938 -7.035 23.834 0.00 0.00 SOLV ATOM 16715 H1 TIP3 3574 -13.709 -7.521 24.185 0.00 0.00 SOLV ATOM 16716 H2 TIP3 3574 -13.080 -6.158 24.237 0.00 0.00 SOLV ATOM 16717 OH2 TIP3 3575 -31.363 -12.669 27.024 0.00 0.00 SOLV ATOM 16718 H1 TIP3 3575 -30.532 -12.814 27.403 0.00 0.00 SOLV ATOM 16719 H2 TIP3 3575 -31.348 -13.320 26.302 0.00 0.00 SOLV ATOM 16720 OH2 TIP3 3576 -27.426 -17.506 33.208 0.00 0.00 SOLV ATOM 16721 H1 TIP3 3576 -26.944 -17.382 32.419 0.00 0.00 SOLV ATOM 16722 H2 TIP3 3576 -26.751 -17.957 33.733 0.00 0.00 SOLV ATOM 16723 OH2 TIP3 3577 -17.565 -12.001 46.202 0.00 0.00 SOLV ATOM 16724 H1 TIP3 3577 -18.429 -12.206 45.861 0.00 0.00 SOLV ATOM 16725 H2 TIP3 3577 -17.056 -12.201 45.438 0.00 0.00 SOLV ATOM 16726 OH2 TIP3 3578 -25.399 -11.084 41.268 0.00 0.00 SOLV ATOM 16727 H1 TIP3 3578 -25.353 -11.135 40.311 0.00 0.00 SOLV ATOM 16728 H2 TIP3 3578 -25.037 -10.190 41.413 0.00 0.00 SOLV ATOM 16729 OH2 TIP3 3579 -21.482 -4.934 36.457 0.00 0.00 SOLV ATOM 16730 H1 TIP3 3579 -22.021 -5.703 36.845 0.00 0.00 SOLV ATOM 16731 H2 TIP3 3579 -20.717 -5.512 36.084 0.00 0.00 SOLV ATOM 16732 OH2 TIP3 3580 -21.336 -22.093 49.182 0.00 0.00 SOLV ATOM 16733 H1 TIP3 3580 -21.429 -22.042 48.250 0.00 0.00 SOLV ATOM 16734 H2 TIP3 3580 -21.288 -23.034 49.398 0.00 0.00 SOLV ATOM 16735 OH2 TIP3 3581 -28.319 -15.306 30.432 0.00 0.00 SOLV ATOM 16736 H1 TIP3 3581 -28.486 -15.509 29.497 0.00 0.00 SOLV ATOM 16737 H2 TIP3 3581 -28.963 -15.873 30.862 0.00 0.00 SOLV ATOM 16738 OH2 TIP3 3582 -19.722 -18.645 19.865 0.00 0.00 SOLV ATOM 16739 H1 TIP3 3582 -19.320 -18.058 19.233 0.00 0.00 SOLV ATOM 16740 H2 TIP3 3582 -20.050 -19.414 19.324 0.00 0.00 SOLV ATOM 16741 OH2 TIP3 3583 -33.027 -11.543 8.258 0.00 0.00 SOLV ATOM 16742 H1 TIP3 3583 -33.045 -11.039 9.120 0.00 0.00 SOLV ATOM 16743 H2 TIP3 3583 -33.865 -11.268 7.810 0.00 0.00 SOLV ATOM 16744 OH2 TIP3 3584 -26.163 -3.743 19.127 0.00 0.00 SOLV ATOM 16745 H1 TIP3 3584 -26.969 -3.618 19.636 0.00 0.00 SOLV ATOM 16746 H2 TIP3 3584 -26.580 -3.889 18.246 0.00 0.00 SOLV ATOM 16747 OH2 TIP3 3585 -33.592 -8.834 27.094 0.00 0.00 SOLV ATOM 16748 H1 TIP3 3585 -32.880 -9.463 26.688 0.00 0.00 SOLV ATOM 16749 H2 TIP3 3585 -33.457 -8.047 26.583 0.00 0.00 SOLV ATOM 16750 OH2 TIP3 3586 -16.683 -14.210 49.900 0.00 0.00 SOLV ATOM 16751 H1 TIP3 3586 -16.347 -14.768 49.209 0.00 0.00 SOLV ATOM 16752 H2 TIP3 3586 -16.267 -14.501 50.674 0.00 0.00 SOLV ATOM 16753 OH2 TIP3 3587 -17.497 -3.434 40.605 0.00 0.00 SOLV ATOM 16754 H1 TIP3 3587 -16.985 -4.171 40.674 0.00 0.00 SOLV ATOM 16755 H2 TIP3 3587 -16.889 -2.813 40.264 0.00 0.00 SOLV ATOM 16756 OH2 TIP3 3588 -29.131 -2.771 35.924 0.00 0.00 SOLV ATOM 16757 H1 TIP3 3588 -29.898 -3.281 36.051 0.00 0.00 SOLV ATOM 16758 H2 TIP3 3588 -28.381 -3.352 35.868 0.00 0.00 SOLV ATOM 16759 OH2 TIP3 3589 -28.116 -9.868 40.623 0.00 0.00 SOLV ATOM 16760 H1 TIP3 3589 -28.614 -10.594 40.142 0.00 0.00 SOLV ATOM 16761 H2 TIP3 3589 -27.371 -10.225 41.076 0.00 0.00 SOLV ATOM 16762 OH2 TIP3 3590 -26.052 -6.170 41.438 0.00 0.00 SOLV ATOM 16763 H1 TIP3 3590 -26.464 -6.090 42.306 0.00 0.00 SOLV ATOM 16764 H2 TIP3 3590 -25.788 -7.107 41.496 0.00 0.00 SOLV ATOM 16765 OH2 TIP3 3591 -22.234 -9.924 45.197 0.00 0.00 SOLV ATOM 16766 H1 TIP3 3591 -23.182 -10.113 45.400 0.00 0.00 SOLV ATOM 16767 H2 TIP3 3591 -22.042 -9.203 45.772 0.00 0.00 SOLV ATOM 16768 OH2 TIP3 3592 6.850 7.319 10.038 0.00 0.00 SOLV ATOM 16769 H1 TIP3 3592 6.764 7.635 11.028 0.00 0.00 SOLV ATOM 16770 H2 TIP3 3592 7.779 7.454 9.799 0.00 0.00 SOLV ATOM 16771 OH2 TIP3 3593 -28.689 -1.808 19.558 0.00 0.00 SOLV ATOM 16772 H1 TIP3 3593 -28.714 -2.680 19.862 0.00 0.00 SOLV ATOM 16773 H2 TIP3 3593 -28.248 -1.302 20.317 0.00 0.00 SOLV ATOM 16774 OH2 TIP3 3594 -11.173 -6.844 43.039 0.00 0.00 SOLV ATOM 16775 H1 TIP3 3594 -11.560 -7.501 42.486 0.00 0.00 SOLV ATOM 16776 H2 TIP3 3594 -10.249 -6.918 42.732 0.00 0.00 SOLV ATOM 16777 OH2 TIP3 3595 -16.206 -3.323 34.119 0.00 0.00 SOLV ATOM 16778 H1 TIP3 3595 -15.597 -3.159 34.822 0.00 0.00 SOLV ATOM 16779 H2 TIP3 3595 -15.932 -4.075 33.586 0.00 0.00 SOLV ATOM 16780 OH2 TIP3 3596 -16.008 -20.770 39.964 0.00 0.00 SOLV ATOM 16781 H1 TIP3 3596 -15.154 -20.568 40.347 0.00 0.00 SOLV ATOM 16782 H2 TIP3 3596 -16.604 -20.386 40.690 0.00 0.00 SOLV ATOM 16783 OH2 TIP3 3597 -29.796 -18.867 26.864 0.00 0.00 SOLV ATOM 16784 H1 TIP3 3597 -29.778 -17.923 27.153 0.00 0.00 SOLV ATOM 16785 H2 TIP3 3597 -29.773 -19.332 27.727 0.00 0.00 SOLV ATOM 16786 OH2 TIP3 3598 -31.946 -5.878 38.300 0.00 0.00 SOLV ATOM 16787 H1 TIP3 3598 -31.797 -5.175 37.554 0.00 0.00 SOLV ATOM 16788 H2 TIP3 3598 -32.533 -6.458 37.890 0.00 0.00 SOLV ATOM 16789 OH2 TIP3 3599 -24.173 -5.451 39.349 0.00 0.00 SOLV ATOM 16790 H1 TIP3 3599 -24.663 -4.765 38.924 0.00 0.00 SOLV ATOM 16791 H2 TIP3 3599 -24.799 -5.752 39.996 0.00 0.00 SOLV ATOM 16792 OH2 TIP3 3600 -24.782 -6.180 45.042 0.00 0.00 SOLV ATOM 16793 H1 TIP3 3600 -24.206 -5.659 44.483 0.00 0.00 SOLV ATOM 16794 H2 TIP3 3600 -24.486 -5.983 45.970 0.00 0.00 SOLV ATOM 16795 OH2 TIP3 3601 -34.657 -7.798 15.134 0.00 0.00 SOLV ATOM 16796 H1 TIP3 3601 -35.308 -7.319 15.685 0.00 0.00 SOLV ATOM 16797 H2 TIP3 3601 -33.795 -7.807 15.628 0.00 0.00 SOLV ATOM 16798 OH2 TIP3 3602 -25.562 -7.073 16.934 0.00 0.00 SOLV ATOM 16799 H1 TIP3 3602 -25.602 -7.611 16.184 0.00 0.00 SOLV ATOM 16800 H2 TIP3 3602 -24.870 -6.384 16.696 0.00 0.00 SOLV ATOM 16801 OH2 TIP3 3603 -37.481 4.135 10.179 0.00 0.00 SOLV ATOM 16802 H1 TIP3 3603 -38.010 4.816 9.706 0.00 0.00 SOLV ATOM 16803 H2 TIP3 3603 -37.371 3.445 9.494 0.00 0.00 SOLV ATOM 16804 OH2 TIP3 3604 -27.964 -0.486 17.309 0.00 0.00 SOLV ATOM 16805 H1 TIP3 3604 -27.088 -0.173 17.539 0.00 0.00 SOLV ATOM 16806 H2 TIP3 3604 -28.182 -0.962 18.156 0.00 0.00 SOLV ATOM 16807 OH2 TIP3 3605 -0.564 -10.849 42.827 0.00 0.00 SOLV ATOM 16808 H1 TIP3 3605 0.047 -11.368 43.321 0.00 0.00 SOLV ATOM 16809 H2 TIP3 3605 -1.370 -11.231 43.081 0.00 0.00 SOLV ATOM 16810 OH2 TIP3 3606 -31.742 3.199 21.064 0.00 0.00 SOLV ATOM 16811 H1 TIP3 3606 -30.842 3.275 20.753 0.00 0.00 SOLV ATOM 16812 H2 TIP3 3606 -31.616 2.976 22.020 0.00 0.00 SOLV ATOM 16813 OH2 TIP3 3607 19.182 -3.287 33.035 0.00 0.00 SOLV ATOM 16814 H1 TIP3 3607 19.966 -3.325 32.432 0.00 0.00 SOLV ATOM 16815 H2 TIP3 3607 19.344 -4.052 33.604 0.00 0.00 SOLV ATOM 16816 OH2 TIP3 3608 -13.491 -1.117 43.204 0.00 0.00 SOLV ATOM 16817 H1 TIP3 3608 -13.136 -1.324 44.022 0.00 0.00 SOLV ATOM 16818 H2 TIP3 3608 -13.818 -1.949 42.924 0.00 0.00 SOLV ATOM 16819 OH2 TIP3 3609 -32.258 5.507 8.373 0.00 0.00 SOLV ATOM 16820 H1 TIP3 3609 -32.477 5.957 9.177 0.00 0.00 SOLV ATOM 16821 H2 TIP3 3609 -31.326 5.478 8.466 0.00 0.00 SOLV ATOM 16822 OH2 TIP3 3610 -22.631 -4.408 6.716 0.00 0.00 SOLV ATOM 16823 H1 TIP3 3610 -23.346 -3.787 6.674 0.00 0.00 SOLV ATOM 16824 H2 TIP3 3610 -21.917 -3.863 6.512 0.00 0.00 SOLV ATOM 16825 OH2 TIP3 3611 -9.822 -5.043 37.494 0.00 0.00 SOLV ATOM 16826 H1 TIP3 3611 -10.264 -4.401 38.056 0.00 0.00 SOLV ATOM 16827 H2 TIP3 3611 -9.843 -5.866 37.911 0.00 0.00 SOLV ATOM 16828 OH2 TIP3 3612 -28.344 6.088 25.756 0.00 0.00 SOLV ATOM 16829 H1 TIP3 3612 -28.869 6.628 26.415 0.00 0.00 SOLV ATOM 16830 H2 TIP3 3612 -28.875 5.238 25.506 0.00 0.00 SOLV ATOM 16831 OH2 TIP3 3613 -23.301 7.647 33.398 0.00 0.00 SOLV ATOM 16832 H1 TIP3 3613 -22.882 6.923 33.896 0.00 0.00 SOLV ATOM 16833 H2 TIP3 3613 -23.565 8.212 34.092 0.00 0.00 SOLV ATOM 16834 OH2 TIP3 3614 -18.002 7.227 38.701 0.00 0.00 SOLV ATOM 16835 H1 TIP3 3614 -17.414 6.532 38.318 0.00 0.00 SOLV ATOM 16836 H2 TIP3 3614 -18.040 7.071 39.667 0.00 0.00 SOLV ATOM 16837 OH2 TIP3 3615 -20.448 -17.162 25.693 0.00 0.00 SOLV ATOM 16838 H1 TIP3 3615 -20.494 -16.872 26.668 0.00 0.00 SOLV ATOM 16839 H2 TIP3 3615 -19.734 -16.605 25.266 0.00 0.00 SOLV ATOM 16840 OH2 TIP3 3616 4.277 -2.840 39.787 0.00 0.00 SOLV ATOM 16841 H1 TIP3 3616 5.240 -2.946 39.613 0.00 0.00 SOLV ATOM 16842 H2 TIP3 3616 4.138 -1.900 39.891 0.00 0.00 SOLV ATOM 16843 OH2 TIP3 3617 -17.178 -9.848 10.416 0.00 0.00 SOLV ATOM 16844 H1 TIP3 3617 -17.211 -8.879 10.751 0.00 0.00 SOLV ATOM 16845 H2 TIP3 3617 -17.174 -10.349 11.238 0.00 0.00 SOLV ATOM 16846 OH2 TIP3 3618 -7.233 -12.398 9.989 0.00 0.00 SOLV ATOM 16847 H1 TIP3 3618 -7.945 -12.522 10.651 0.00 0.00 SOLV ATOM 16848 H2 TIP3 3618 -6.900 -11.521 10.276 0.00 0.00 SOLV ATOM 16849 OH2 TIP3 3619 21.803 9.607 23.160 0.00 0.00 SOLV ATOM 16850 H1 TIP3 3619 21.506 10.516 23.099 0.00 0.00 SOLV ATOM 16851 H2 TIP3 3619 22.664 9.642 22.623 0.00 0.00 SOLV ATOM 16852 OH2 TIP3 3620 -28.393 10.712 24.413 0.00 0.00 SOLV ATOM 16853 H1 TIP3 3620 -27.499 10.830 24.813 0.00 0.00 SOLV ATOM 16854 H2 TIP3 3620 -28.882 11.405 24.882 0.00 0.00 SOLV ATOM 16855 OH2 TIP3 3621 -36.802 9.740 21.514 0.00 0.00 SOLV ATOM 16856 H1 TIP3 3621 -37.397 9.238 20.934 0.00 0.00 SOLV ATOM 16857 H2 TIP3 3621 -36.413 10.446 20.939 0.00 0.00 SOLV ATOM 16858 OH2 TIP3 3622 -19.681 11.816 34.217 0.00 0.00 SOLV ATOM 16859 H1 TIP3 3622 -18.814 11.358 34.212 0.00 0.00 SOLV ATOM 16860 H2 TIP3 3622 -20.029 11.767 33.328 0.00 0.00 SOLV ATOM 16861 OH2 TIP3 3623 -20.943 11.932 24.324 0.00 0.00 SOLV ATOM 16862 H1 TIP3 3623 -21.815 12.384 24.427 0.00 0.00 SOLV ATOM 16863 H2 TIP3 3623 -20.291 12.657 24.100 0.00 0.00 SOLV ATOM 16864 OH2 TIP3 3624 -27.695 -12.032 8.191 0.00 0.00 SOLV ATOM 16865 H1 TIP3 3624 -28.651 -11.923 8.015 0.00 0.00 SOLV ATOM 16866 H2 TIP3 3624 -27.267 -11.209 7.962 0.00 0.00 SOLV ATOM 16867 OH2 TIP3 3625 -27.983 -1.371 14.381 0.00 0.00 SOLV ATOM 16868 H1 TIP3 3625 -27.268 -1.978 14.093 0.00 0.00 SOLV ATOM 16869 H2 TIP3 3625 -27.603 -0.863 15.087 0.00 0.00 SOLV ATOM 16870 OH2 TIP3 3626 -15.900 -43.257 29.298 0.00 0.00 SOLV ATOM 16871 H1 TIP3 3626 -15.556 -43.912 28.604 0.00 0.00 SOLV ATOM 16872 H2 TIP3 3626 -15.279 -43.424 30.016 0.00 0.00 SOLV ATOM 16873 OH2 TIP3 3627 -32.551 2.259 28.927 0.00 0.00 SOLV ATOM 16874 H1 TIP3 3627 -32.810 2.940 29.618 0.00 0.00 SOLV ATOM 16875 H2 TIP3 3627 -32.853 2.702 28.182 0.00 0.00 SOLV ATOM 16876 OH2 TIP3 3628 -19.037 4.543 43.568 0.00 0.00 SOLV ATOM 16877 H1 TIP3 3628 -19.792 3.948 43.444 0.00 0.00 SOLV ATOM 16878 H2 TIP3 3628 -19.389 5.097 44.307 0.00 0.00 SOLV ATOM 16879 OH2 TIP3 3629 -23.182 9.473 29.340 0.00 0.00 SOLV ATOM 16880 H1 TIP3 3629 -23.631 8.799 29.798 0.00 0.00 SOLV ATOM 16881 H2 TIP3 3629 -22.856 9.028 28.537 0.00 0.00 SOLV ATOM 16882 OH2 TIP3 3630 -15.411 -43.730 19.956 0.00 0.00 SOLV ATOM 16883 H1 TIP3 3630 -15.185 -44.522 19.538 0.00 0.00 SOLV ATOM 16884 H2 TIP3 3630 -14.776 -43.566 20.677 0.00 0.00 SOLV ATOM 16885 OH2 TIP3 3631 -27.210 3.202 29.940 0.00 0.00 SOLV ATOM 16886 H1 TIP3 3631 -27.059 3.323 30.875 0.00 0.00 SOLV ATOM 16887 H2 TIP3 3631 -26.414 3.047 29.566 0.00 0.00 SOLV ATOM 16888 OH2 TIP3 3632 -21.335 -0.876 32.923 0.00 0.00 SOLV ATOM 16889 H1 TIP3 3632 -21.147 -1.799 32.587 0.00 0.00 SOLV ATOM 16890 H2 TIP3 3632 -21.475 -1.068 33.864 0.00 0.00 SOLV ATOM 16891 OH2 TIP3 3633 -14.838 -39.473 17.476 0.00 0.00 SOLV ATOM 16892 H1 TIP3 3633 -15.021 -40.367 17.753 0.00 0.00 SOLV ATOM 16893 H2 TIP3 3633 -15.706 -38.977 17.701 0.00 0.00 SOLV ATOM 16894 OH2 TIP3 3634 -4.005 -31.959 30.196 0.00 0.00 SOLV ATOM 16895 H1 TIP3 3634 -4.620 -32.668 29.975 0.00 0.00 SOLV ATOM 16896 H2 TIP3 3634 -4.118 -31.841 31.171 0.00 0.00 SOLV ATOM 16897 OH2 TIP3 3635 -17.861 -32.798 35.583 0.00 0.00 SOLV ATOM 16898 H1 TIP3 3635 -17.707 -31.858 35.617 0.00 0.00 SOLV ATOM 16899 H2 TIP3 3635 -17.047 -33.145 36.062 0.00 0.00 SOLV ATOM 16900 OH2 TIP3 3636 -27.566 11.799 9.089 0.00 0.00 SOLV ATOM 16901 H1 TIP3 3636 -28.083 11.595 9.837 0.00 0.00 SOLV ATOM 16902 H2 TIP3 3636 -28.050 11.439 8.302 0.00 0.00 SOLV ATOM 16903 OH2 TIP3 3637 -11.227 -39.375 17.184 0.00 0.00 SOLV ATOM 16904 H1 TIP3 3637 -11.738 -39.746 17.893 0.00 0.00 SOLV ATOM 16905 H2 TIP3 3637 -11.740 -38.559 16.997 0.00 0.00 SOLV ATOM 16906 OH2 TIP3 3638 -15.331 -45.299 16.454 0.00 0.00 SOLV ATOM 16907 H1 TIP3 3638 -15.163 -46.235 16.309 0.00 0.00 SOLV ATOM 16908 H2 TIP3 3638 -14.861 -45.085 17.274 0.00 0.00 SOLV ATOM 16909 OH2 TIP3 3639 -21.692 9.191 26.633 0.00 0.00 SOLV ATOM 16910 H1 TIP3 3639 -22.297 8.400 26.531 0.00 0.00 SOLV ATOM 16911 H2 TIP3 3639 -22.027 9.729 25.939 0.00 0.00 SOLV ATOM 16912 OH2 TIP3 3640 8.685 16.464 11.735 0.00 0.00 SOLV ATOM 16913 H1 TIP3 3640 7.911 17.079 11.764 0.00 0.00 SOLV ATOM 16914 H2 TIP3 3640 8.485 15.761 12.346 0.00 0.00 SOLV ATOM 16915 OH2 TIP3 3641 -13.796 -39.323 14.996 0.00 0.00 SOLV ATOM 16916 H1 TIP3 3641 -13.357 -38.604 15.440 0.00 0.00 SOLV ATOM 16917 H2 TIP3 3641 -14.234 -39.747 15.746 0.00 0.00 SOLV ATOM 16918 OH2 TIP3 3642 -32.532 6.999 28.666 0.00 0.00 SOLV ATOM 16919 H1 TIP3 3642 -32.269 7.858 28.875 0.00 0.00 SOLV ATOM 16920 H2 TIP3 3642 -33.218 6.951 29.354 0.00 0.00 SOLV ATOM 16921 OH2 TIP3 3643 -20.989 5.649 37.549 0.00 0.00 SOLV ATOM 16922 H1 TIP3 3643 -20.165 5.824 38.028 0.00 0.00 SOLV ATOM 16923 H2 TIP3 3643 -20.906 6.315 36.861 0.00 0.00 SOLV ATOM 16924 OH2 TIP3 3644 -8.049 -43.346 26.829 0.00 0.00 SOLV ATOM 16925 H1 TIP3 3644 -8.796 -43.063 27.407 0.00 0.00 SOLV ATOM 16926 H2 TIP3 3644 -8.268 -43.152 25.868 0.00 0.00 SOLV ATOM 16927 OH2 TIP3 3645 -26.719 15.956 8.968 0.00 0.00 SOLV ATOM 16928 H1 TIP3 3645 -27.082 16.777 9.265 0.00 0.00 SOLV ATOM 16929 H2 TIP3 3645 -27.508 15.396 8.954 0.00 0.00 SOLV ATOM 16930 OH2 TIP3 3646 -13.316 -39.298 23.507 0.00 0.00 SOLV ATOM 16931 H1 TIP3 3646 -13.718 -40.211 23.632 0.00 0.00 SOLV ATOM 16932 H2 TIP3 3646 -13.753 -38.756 24.191 0.00 0.00 SOLV ATOM 16933 OH2 TIP3 3647 -5.446 -37.801 23.494 0.00 0.00 SOLV ATOM 16934 H1 TIP3 3647 -6.308 -37.538 23.649 0.00 0.00 SOLV ATOM 16935 H2 TIP3 3647 -5.037 -37.008 22.945 0.00 0.00 SOLV ATOM 16936 OH2 TIP3 3648 -12.975 -35.221 36.507 0.00 0.00 SOLV ATOM 16937 H1 TIP3 3648 -12.296 -34.819 36.028 0.00 0.00 SOLV ATOM 16938 H2 TIP3 3648 -13.811 -34.812 36.162 0.00 0.00 SOLV ATOM 16939 OH2 TIP3 3649 -17.787 -43.759 16.247 0.00 0.00 SOLV ATOM 16940 H1 TIP3 3649 -16.950 -44.326 16.534 0.00 0.00 SOLV ATOM 16941 H2 TIP3 3649 -17.540 -42.914 16.594 0.00 0.00 SOLV ATOM 16942 OH2 TIP3 3650 -15.404 -42.267 17.751 0.00 0.00 SOLV ATOM 16943 H1 TIP3 3650 -14.644 -42.859 17.514 0.00 0.00 SOLV ATOM 16944 H2 TIP3 3650 -15.506 -42.449 18.711 0.00 0.00 SOLV ATOM 16945 OH2 TIP3 3651 -7.916 -40.238 21.730 0.00 0.00 SOLV ATOM 16946 H1 TIP3 3651 -8.267 -39.456 22.170 0.00 0.00 SOLV ATOM 16947 H2 TIP3 3651 -8.728 -40.743 21.543 0.00 0.00 SOLV ATOM 16948 OH2 TIP3 3652 -17.258 -33.291 25.516 0.00 0.00 SOLV ATOM 16949 H1 TIP3 3652 -16.449 -32.894 25.240 0.00 0.00 SOLV ATOM 16950 H2 TIP3 3652 -17.587 -33.712 24.651 0.00 0.00 SOLV ATOM 16951 OH2 TIP3 3653 -12.022 -32.071 33.918 0.00 0.00 SOLV ATOM 16952 H1 TIP3 3653 -12.894 -32.543 34.170 0.00 0.00 SOLV ATOM 16953 H2 TIP3 3653 -12.290 -31.482 33.216 0.00 0.00 SOLV ATOM 16954 OH2 TIP3 3654 -29.206 -23.948 25.066 0.00 0.00 SOLV ATOM 16955 H1 TIP3 3654 -28.333 -24.196 24.704 0.00 0.00 SOLV ATOM 16956 H2 TIP3 3654 -29.394 -24.674 25.701 0.00 0.00 SOLV ATOM 16957 OH2 TIP3 3655 -21.746 -27.718 10.078 0.00 0.00 SOLV ATOM 16958 H1 TIP3 3655 -21.081 -28.239 10.560 0.00 0.00 SOLV ATOM 16959 H2 TIP3 3655 -22.319 -28.371 9.744 0.00 0.00 SOLV ATOM 16960 OH2 TIP3 3656 -9.352 -32.762 8.657 0.00 0.00 SOLV ATOM 16961 H1 TIP3 3656 -9.606 -31.870 9.049 0.00 0.00 SOLV ATOM 16962 H2 TIP3 3656 -10.064 -33.357 8.938 0.00 0.00 SOLV ATOM 16963 OH2 TIP3 3657 -4.343 20.804 7.115 0.00 0.00 SOLV ATOM 16964 H1 TIP3 3657 -4.537 21.264 6.268 0.00 0.00 SOLV ATOM 16965 H2 TIP3 3657 -3.917 21.451 7.670 0.00 0.00 SOLV ATOM 16966 OH2 TIP3 3658 -24.886 -28.977 16.267 0.00 0.00 SOLV ATOM 16967 H1 TIP3 3658 -24.768 -28.037 16.029 0.00 0.00 SOLV ATOM 16968 H2 TIP3 3658 -25.743 -29.085 16.719 0.00 0.00 SOLV ATOM 16969 OH2 TIP3 3659 -19.495 -40.802 13.565 0.00 0.00 SOLV ATOM 16970 H1 TIP3 3659 -19.191 -39.929 13.739 0.00 0.00 SOLV ATOM 16971 H2 TIP3 3659 -19.672 -40.751 12.616 0.00 0.00 SOLV ATOM 16972 OH2 TIP3 3660 -12.403 -26.591 46.294 0.00 0.00 SOLV ATOM 16973 H1 TIP3 3660 -12.911 -26.581 47.106 0.00 0.00 SOLV ATOM 16974 H2 TIP3 3660 -12.299 -27.565 46.218 0.00 0.00 SOLV ATOM 16975 OH2 TIP3 3661 -15.005 -36.637 33.321 0.00 0.00 SOLV ATOM 16976 H1 TIP3 3661 -15.347 -35.793 32.949 0.00 0.00 SOLV ATOM 16977 H2 TIP3 3661 -15.797 -37.194 33.228 0.00 0.00 SOLV ATOM 16978 OH2 TIP3 3662 -12.414 -37.743 44.098 0.00 0.00 SOLV ATOM 16979 H1 TIP3 3662 -11.458 -37.629 44.417 0.00 0.00 SOLV ATOM 16980 H2 TIP3 3662 -12.308 -38.379 43.386 0.00 0.00 SOLV ATOM 16981 OH2 TIP3 3663 -20.512 -35.827 14.064 0.00 0.00 SOLV ATOM 16982 H1 TIP3 3663 -21.366 -36.303 14.351 0.00 0.00 SOLV ATOM 16983 H2 TIP3 3663 -20.312 -35.266 14.870 0.00 0.00 SOLV ATOM 16984 OH2 TIP3 3664 -27.400 -31.753 17.418 0.00 0.00 SOLV ATOM 16985 H1 TIP3 3664 -27.744 -32.615 17.527 0.00 0.00 SOLV ATOM 16986 H2 TIP3 3664 -27.384 -31.663 16.467 0.00 0.00 SOLV ATOM 16987 OH2 TIP3 3665 -11.795 -37.374 14.810 0.00 0.00 SOLV ATOM 16988 H1 TIP3 3665 -10.864 -37.136 14.886 0.00 0.00 SOLV ATOM 16989 H2 TIP3 3665 -11.767 -38.015 14.037 0.00 0.00 SOLV ATOM 16990 OH2 TIP3 3666 -17.032 -34.752 32.721 0.00 0.00 SOLV ATOM 16991 H1 TIP3 3666 -17.531 -34.336 33.433 0.00 0.00 SOLV ATOM 16992 H2 TIP3 3666 -17.102 -34.141 31.961 0.00 0.00 SOLV ATOM 16993 OH2 TIP3 3667 3.316 -18.947 6.508 0.00 0.00 SOLV ATOM 16994 H1 TIP3 3667 2.923 -19.060 5.620 0.00 0.00 SOLV ATOM 16995 H2 TIP3 3667 2.572 -18.668 7.051 0.00 0.00 SOLV ATOM 16996 OH2 TIP3 3668 -24.495 -26.781 39.037 0.00 0.00 SOLV ATOM 16997 H1 TIP3 3668 -23.750 -27.369 39.273 0.00 0.00 SOLV ATOM 16998 H2 TIP3 3668 -23.987 -26.023 38.694 0.00 0.00 SOLV ATOM 16999 OH2 TIP3 3669 -22.524 -35.983 33.575 0.00 0.00 SOLV ATOM 17000 H1 TIP3 3669 -23.124 -36.442 32.986 0.00 0.00 SOLV ATOM 17001 H2 TIP3 3669 -22.643 -36.392 34.472 0.00 0.00 SOLV ATOM 17002 OH2 TIP3 3670 -20.672 -22.404 13.456 0.00 0.00 SOLV ATOM 17003 H1 TIP3 3670 -20.371 -22.333 14.351 0.00 0.00 SOLV ATOM 17004 H2 TIP3 3670 -21.535 -21.931 13.478 0.00 0.00 SOLV ATOM 17005 OH2 TIP3 3671 -16.100 -38.096 21.282 0.00 0.00 SOLV ATOM 17006 H1 TIP3 3671 -16.605 -37.989 20.455 0.00 0.00 SOLV ATOM 17007 H2 TIP3 3671 -15.162 -38.213 21.041 0.00 0.00 SOLV ATOM 17008 OH2 TIP3 3672 -12.488 -37.004 33.752 0.00 0.00 SOLV ATOM 17009 H1 TIP3 3672 -11.901 -36.178 33.533 0.00 0.00 SOLV ATOM 17010 H2 TIP3 3672 -13.463 -36.755 33.587 0.00 0.00 SOLV ATOM 17011 OH2 TIP3 3673 -24.154 -23.116 25.142 0.00 0.00 SOLV ATOM 17012 H1 TIP3 3673 -24.457 -23.332 24.226 0.00 0.00 SOLV ATOM 17013 H2 TIP3 3673 -24.531 -22.283 25.182 0.00 0.00 SOLV ATOM 17014 OH2 TIP3 3674 -17.085 -32.797 11.641 0.00 0.00 SOLV ATOM 17015 H1 TIP3 3674 -16.642 -33.064 12.484 0.00 0.00 SOLV ATOM 17016 H2 TIP3 3674 -17.056 -33.654 11.188 0.00 0.00 SOLV ATOM 17017 OH2 TIP3 3675 -15.226 -34.290 7.613 0.00 0.00 SOLV ATOM 17018 H1 TIP3 3675 -15.644 -34.224 6.760 0.00 0.00 SOLV ATOM 17019 H2 TIP3 3675 -14.623 -35.092 7.445 0.00 0.00 SOLV ATOM 17020 OH2 TIP3 3676 -11.323 -40.246 11.867 0.00 0.00 SOLV ATOM 17021 H1 TIP3 3676 -11.981 -39.574 12.078 0.00 0.00 SOLV ATOM 17022 H2 TIP3 3676 -11.112 -40.607 12.720 0.00 0.00 SOLV ATOM 17023 OH2 TIP3 3677 -23.398 -29.378 28.951 0.00 0.00 SOLV ATOM 17024 H1 TIP3 3677 -22.724 -29.621 29.604 0.00 0.00 SOLV ATOM 17025 H2 TIP3 3677 -23.876 -30.189 28.941 0.00 0.00 SOLV ATOM 17026 OH2 TIP3 3678 -18.568 -15.400 32.040 0.00 0.00 SOLV ATOM 17027 H1 TIP3 3678 -17.691 -15.529 31.705 0.00 0.00 SOLV ATOM 17028 H2 TIP3 3678 -18.374 -15.824 32.971 0.00 0.00 SOLV ATOM 17029 OH2 TIP3 3679 -6.487 -26.419 42.327 0.00 0.00 SOLV ATOM 17030 H1 TIP3 3679 -6.347 -25.624 42.904 0.00 0.00 SOLV ATOM 17031 H2 TIP3 3679 -6.842 -27.054 42.926 0.00 0.00 SOLV ATOM 17032 OH2 TIP3 3680 -28.728 -19.174 39.608 0.00 0.00 SOLV ATOM 17033 H1 TIP3 3680 -28.844 -18.131 39.552 0.00 0.00 SOLV ATOM 17034 H2 TIP3 3680 -28.894 -19.463 38.737 0.00 0.00 SOLV ATOM 17035 OH2 TIP3 3681 -21.498 -17.042 48.878 0.00 0.00 SOLV ATOM 17036 H1 TIP3 3681 -20.841 -17.768 48.769 0.00 0.00 SOLV ATOM 17037 H2 TIP3 3681 -21.329 -16.469 48.129 0.00 0.00 SOLV ATOM 17038 OH2 TIP3 3682 -25.239 -31.012 7.660 0.00 0.00 SOLV ATOM 17039 H1 TIP3 3682 -25.318 -30.253 7.106 0.00 0.00 SOLV ATOM 17040 H2 TIP3 3682 -25.415 -30.633 8.476 0.00 0.00 SOLV ATOM 17041 OH2 TIP3 3683 -18.958 -38.231 13.895 0.00 0.00 SOLV ATOM 17042 H1 TIP3 3683 -18.238 -37.834 14.483 0.00 0.00 SOLV ATOM 17043 H2 TIP3 3683 -19.621 -37.499 13.766 0.00 0.00 SOLV ATOM 17044 OH2 TIP3 3684 -25.419 -20.099 16.361 0.00 0.00 SOLV ATOM 17045 H1 TIP3 3684 -25.125 -19.301 15.965 0.00 0.00 SOLV ATOM 17046 H2 TIP3 3684 -24.623 -20.667 16.328 0.00 0.00 SOLV ATOM 17047 OH2 TIP3 3685 -8.250 -20.101 46.279 0.00 0.00 SOLV ATOM 17048 H1 TIP3 3685 -8.014 -20.553 47.094 0.00 0.00 SOLV ATOM 17049 H2 TIP3 3685 -9.090 -19.687 46.555 0.00 0.00 SOLV ATOM 17050 OH2 TIP3 3686 -12.025 -10.850 6.632 0.00 0.00 SOLV ATOM 17051 H1 TIP3 3686 -12.985 -10.887 6.638 0.00 0.00 SOLV ATOM 17052 H2 TIP3 3686 -11.802 -10.679 5.699 0.00 0.00 SOLV ATOM 17053 OH2 TIP3 3687 -28.121 -3.810 16.912 0.00 0.00 SOLV ATOM 17054 H1 TIP3 3687 -28.953 -4.315 16.913 0.00 0.00 SOLV ATOM 17055 H2 TIP3 3687 -28.306 -3.103 16.336 0.00 0.00 SOLV ATOM 17056 OH2 TIP3 3688 -16.947 -23.677 43.974 0.00 0.00 SOLV ATOM 17057 H1 TIP3 3688 -17.222 -24.235 44.674 0.00 0.00 SOLV ATOM 17058 H2 TIP3 3688 -17.462 -23.917 43.212 0.00 0.00 SOLV ATOM 17059 OH2 TIP3 3689 -21.963 -29.357 38.301 0.00 0.00 SOLV ATOM 17060 H1 TIP3 3689 -22.558 -30.117 38.446 0.00 0.00 SOLV ATOM 17061 H2 TIP3 3689 -21.818 -28.963 39.203 0.00 0.00 SOLV ATOM 17062 OH2 TIP3 3690 -15.114 -13.765 45.646 0.00 0.00 SOLV ATOM 17063 H1 TIP3 3690 -15.356 -14.673 45.519 0.00 0.00 SOLV ATOM 17064 H2 TIP3 3690 -14.513 -13.694 46.425 0.00 0.00 SOLV ATOM 17065 OH2 TIP3 3691 -14.541 -18.587 52.243 0.00 0.00 SOLV ATOM 17066 H1 TIP3 3691 -15.115 -17.770 52.330 0.00 0.00 SOLV ATOM 17067 H2 TIP3 3691 -15.239 -19.229 52.057 0.00 0.00 SOLV ATOM 17068 OH2 TIP3 3692 -29.534 -21.425 35.215 0.00 0.00 SOLV ATOM 17069 H1 TIP3 3692 -29.324 -21.358 34.244 0.00 0.00 SOLV ATOM 17070 H2 TIP3 3692 -29.909 -22.266 35.254 0.00 0.00 SOLV ATOM 17071 OH2 TIP3 3693 -6.800 -11.507 53.130 0.00 0.00 SOLV ATOM 17072 H1 TIP3 3693 -7.257 -11.878 52.375 0.00 0.00 SOLV ATOM 17073 H2 TIP3 3693 -5.858 -11.491 52.859 0.00 0.00 SOLV ATOM 17074 OH2 TIP3 3694 -20.605 -39.430 19.053 0.00 0.00 SOLV ATOM 17075 H1 TIP3 3694 -19.982 -40.111 19.275 0.00 0.00 SOLV ATOM 17076 H2 TIP3 3694 -20.275 -38.687 19.522 0.00 0.00 SOLV ATOM 17077 OH2 TIP3 3695 -14.941 -28.168 17.745 0.00 0.00 SOLV ATOM 17078 H1 TIP3 3695 -14.675 -29.048 17.434 0.00 0.00 SOLV ATOM 17079 H2 TIP3 3695 -14.407 -27.554 17.131 0.00 0.00 SOLV ATOM 17080 OH2 TIP3 3696 -9.860 -7.280 21.238 0.00 0.00 SOLV ATOM 17081 H1 TIP3 3696 -10.408 -6.487 21.294 0.00 0.00 SOLV ATOM 17082 H2 TIP3 3696 -10.375 -7.798 20.576 0.00 0.00 SOLV ATOM 17083 OH2 TIP3 3697 -3.850 -2.493 34.785 0.00 0.00 SOLV ATOM 17084 H1 TIP3 3697 -3.458 -1.955 34.098 0.00 0.00 SOLV ATOM 17085 H2 TIP3 3697 -3.577 -3.403 34.542 0.00 0.00 SOLV ATOM 17086 OH2 TIP3 3698 3.514 -34.030 23.189 0.00 0.00 SOLV ATOM 17087 H1 TIP3 3698 3.022 -33.614 22.445 0.00 0.00 SOLV ATOM 17088 H2 TIP3 3698 3.660 -33.270 23.784 0.00 0.00 SOLV ATOM 17089 OH2 TIP3 3699 -16.561 -29.510 30.861 0.00 0.00 SOLV ATOM 17090 H1 TIP3 3699 -16.328 -29.254 31.726 0.00 0.00 SOLV ATOM 17091 H2 TIP3 3699 -15.765 -30.020 30.620 0.00 0.00 SOLV ATOM 17092 OH2 TIP3 3700 -18.071 -13.229 19.801 0.00 0.00 SOLV ATOM 17093 H1 TIP3 3700 -17.730 -13.223 18.898 0.00 0.00 SOLV ATOM 17094 H2 TIP3 3700 -18.650 -12.495 19.770 0.00 0.00 SOLV ATOM 17095 OH2 TIP3 3701 -27.023 -26.348 40.841 0.00 0.00 SOLV ATOM 17096 H1 TIP3 3701 -26.241 -26.260 40.216 0.00 0.00 SOLV ATOM 17097 H2 TIP3 3701 -26.648 -26.877 41.609 0.00 0.00 SOLV ATOM 17098 OH2 TIP3 3702 -14.402 -26.366 49.368 0.00 0.00 SOLV ATOM 17099 H1 TIP3 3702 -14.459 -25.560 48.870 0.00 0.00 SOLV ATOM 17100 H2 TIP3 3702 -15.286 -26.826 49.304 0.00 0.00 SOLV ATOM 17101 OH2 TIP3 3703 -9.501 -23.251 50.954 0.00 0.00 SOLV ATOM 17102 H1 TIP3 3703 -9.680 -23.970 50.317 0.00 0.00 SOLV ATOM 17103 H2 TIP3 3703 -9.737 -22.422 50.511 0.00 0.00 SOLV ATOM 17104 OH2 TIP3 3704 -27.580 -7.491 26.291 0.00 0.00 SOLV ATOM 17105 H1 TIP3 3704 -27.504 -8.084 27.082 0.00 0.00 SOLV ATOM 17106 H2 TIP3 3704 -27.652 -8.127 25.551 0.00 0.00 SOLV ATOM 17107 OH2 TIP3 3705 -17.601 -24.222 34.821 0.00 0.00 SOLV ATOM 17108 H1 TIP3 3705 -17.877 -23.977 35.765 0.00 0.00 SOLV ATOM 17109 H2 TIP3 3705 -18.073 -23.596 34.340 0.00 0.00 SOLV ATOM 17110 OH2 TIP3 3706 -26.998 -26.452 34.666 0.00 0.00 SOLV ATOM 17111 H1 TIP3 3706 -27.001 -26.777 33.750 0.00 0.00 SOLV ATOM 17112 H2 TIP3 3706 -27.753 -27.017 35.091 0.00 0.00 SOLV ATOM 17113 OH2 TIP3 3707 -16.132 -24.608 51.104 0.00 0.00 SOLV ATOM 17114 H1 TIP3 3707 -16.947 -25.048 50.899 0.00 0.00 SOLV ATOM 17115 H2 TIP3 3707 -15.552 -25.310 51.453 0.00 0.00 SOLV ATOM 17116 OH2 TIP3 3708 -18.466 -11.000 42.783 0.00 0.00 SOLV ATOM 17117 H1 TIP3 3708 -19.456 -11.050 42.697 0.00 0.00 SOLV ATOM 17118 H2 TIP3 3708 -18.320 -10.290 43.449 0.00 0.00 SOLV ATOM 17119 OH2 TIP3 3709 -13.046 -16.849 55.272 0.00 0.00 SOLV ATOM 17120 H1 TIP3 3709 -13.753 -16.188 55.582 0.00 0.00 SOLV ATOM 17121 H2 TIP3 3709 -12.364 -16.279 54.959 0.00 0.00 SOLV ATOM 17122 OH2 TIP3 3710 -25.273 -22.201 18.891 0.00 0.00 SOLV ATOM 17123 H1 TIP3 3710 -24.553 -22.839 19.213 0.00 0.00 SOLV ATOM 17124 H2 TIP3 3710 -25.332 -21.641 19.635 0.00 0.00 SOLV ATOM 17125 OH2 TIP3 3711 -21.347 -25.954 19.866 0.00 0.00 SOLV ATOM 17126 H1 TIP3 3711 -20.572 -26.194 20.396 0.00 0.00 SOLV ATOM 17127 H2 TIP3 3711 -21.911 -26.680 20.032 0.00 0.00 SOLV ATOM 17128 OH2 TIP3 3712 -27.476 -17.490 12.170 0.00 0.00 SOLV ATOM 17129 H1 TIP3 3712 -26.698 -16.987 11.850 0.00 0.00 SOLV ATOM 17130 H2 TIP3 3712 -28.210 -17.190 11.682 0.00 0.00 SOLV ATOM 17131 OH2 TIP3 3713 -17.376 -3.622 30.906 0.00 0.00 SOLV ATOM 17132 H1 TIP3 3713 -17.594 -3.009 31.632 0.00 0.00 SOLV ATOM 17133 H2 TIP3 3713 -16.783 -4.318 31.388 0.00 0.00 SOLV ATOM 17134 OH2 TIP3 3714 -32.959 -4.469 20.897 0.00 0.00 SOLV ATOM 17135 H1 TIP3 3714 -33.261 -3.512 20.925 0.00 0.00 SOLV ATOM 17136 H2 TIP3 3714 -32.526 -4.505 21.756 0.00 0.00 SOLV ATOM 17137 OH2 TIP3 3715 -17.441 -1.491 28.971 0.00 0.00 SOLV ATOM 17138 H1 TIP3 3715 -16.956 -0.871 29.632 0.00 0.00 SOLV ATOM 17139 H2 TIP3 3715 -17.365 -2.312 29.431 0.00 0.00 SOLV ATOM 17140 OH2 TIP3 3716 -20.750 -12.124 22.916 0.00 0.00 SOLV ATOM 17141 H1 TIP3 3716 -20.073 -12.793 23.158 0.00 0.00 SOLV ATOM 17142 H2 TIP3 3716 -21.541 -12.346 23.472 0.00 0.00 SOLV ATOM 17143 OH2 TIP3 3717 -11.613 -1.620 31.993 0.00 0.00 SOLV ATOM 17144 H1 TIP3 3717 -12.312 -1.868 31.354 0.00 0.00 SOLV ATOM 17145 H2 TIP3 3717 -11.192 -2.467 32.169 0.00 0.00 SOLV ATOM 17146 OH2 TIP3 3718 -26.011 -18.948 35.104 0.00 0.00 SOLV ATOM 17147 H1 TIP3 3718 -25.914 -19.677 34.575 0.00 0.00 SOLV ATOM 17148 H2 TIP3 3718 -25.434 -19.160 35.800 0.00 0.00 SOLV ATOM 17149 OH2 TIP3 3719 -23.693 -27.546 32.213 0.00 0.00 SOLV ATOM 17150 H1 TIP3 3719 -23.006 -28.189 32.021 0.00 0.00 SOLV ATOM 17151 H2 TIP3 3719 -23.220 -26.868 32.764 0.00 0.00 SOLV ATOM 17152 OH2 TIP3 3720 2.033 7.371 41.178 0.00 0.00 SOLV ATOM 17153 H1 TIP3 3720 2.832 7.873 41.285 0.00 0.00 SOLV ATOM 17154 H2 TIP3 3720 1.704 7.570 40.325 0.00 0.00 SOLV ATOM 17155 OH2 TIP3 3721 -16.143 -20.369 9.158 0.00 0.00 SOLV ATOM 17156 H1 TIP3 3721 -17.014 -20.084 8.732 0.00 0.00 SOLV ATOM 17157 H2 TIP3 3721 -15.841 -19.459 9.533 0.00 0.00 SOLV ATOM 17158 OH2 TIP3 3722 -19.138 -21.316 9.114 0.00 0.00 SOLV ATOM 17159 H1 TIP3 3722 -19.089 -20.309 9.133 0.00 0.00 SOLV ATOM 17160 H2 TIP3 3722 -20.023 -21.545 9.405 0.00 0.00 SOLV ATOM 17161 OH2 TIP3 3723 -15.977 -12.973 12.443 0.00 0.00 SOLV ATOM 17162 H1 TIP3 3723 -15.948 -12.966 11.531 0.00 0.00 SOLV ATOM 17163 H2 TIP3 3723 -15.195 -12.388 12.717 0.00 0.00 SOLV ATOM 17164 OH2 TIP3 3724 -29.822 -6.337 23.279 0.00 0.00 SOLV ATOM 17165 H1 TIP3 3724 -29.494 -6.466 22.405 0.00 0.00 SOLV ATOM 17166 H2 TIP3 3724 -29.567 -7.133 23.705 0.00 0.00 SOLV ATOM 17167 OH2 TIP3 3725 -12.497 -30.542 14.565 0.00 0.00 SOLV ATOM 17168 H1 TIP3 3725 -12.834 -29.706 14.225 0.00 0.00 SOLV ATOM 17169 H2 TIP3 3725 -11.527 -30.418 14.627 0.00 0.00 SOLV ATOM 17170 OH2 TIP3 3726 -19.681 -27.007 43.697 0.00 0.00 SOLV ATOM 17171 H1 TIP3 3726 -19.374 -27.891 43.231 0.00 0.00 SOLV ATOM 17172 H2 TIP3 3726 -18.870 -26.449 43.789 0.00 0.00 SOLV ATOM 17173 OH2 TIP3 3727 -2.599 -4.559 38.746 0.00 0.00 SOLV ATOM 17174 H1 TIP3 3727 -2.898 -5.478 39.020 0.00 0.00 SOLV ATOM 17175 H2 TIP3 3727 -2.437 -4.098 39.617 0.00 0.00 SOLV ATOM 17176 OH2 TIP3 3728 -8.044 -9.019 45.067 0.00 0.00 SOLV ATOM 17177 H1 TIP3 3728 -8.120 -8.219 44.542 0.00 0.00 SOLV ATOM 17178 H2 TIP3 3728 -7.169 -9.251 44.906 0.00 0.00 SOLV ATOM 17179 OH2 TIP3 3729 -27.709 -9.486 38.011 0.00 0.00 SOLV ATOM 17180 H1 TIP3 3729 -27.484 -9.517 38.945 0.00 0.00 SOLV ATOM 17181 H2 TIP3 3729 -28.126 -8.607 37.876 0.00 0.00 SOLV ATOM 17182 OH2 TIP3 3730 -15.971 -9.972 45.113 0.00 0.00 SOLV ATOM 17183 H1 TIP3 3730 -15.502 -10.058 45.961 0.00 0.00 SOLV ATOM 17184 H2 TIP3 3730 -16.854 -10.129 45.352 0.00 0.00 SOLV ATOM 17185 OH2 TIP3 3731 -13.797 -13.401 52.955 0.00 0.00 SOLV ATOM 17186 H1 TIP3 3731 -13.316 -13.713 53.739 0.00 0.00 SOLV ATOM 17187 H2 TIP3 3731 -14.744 -13.677 53.012 0.00 0.00 SOLV ATOM 17188 OH2 TIP3 3732 -32.862 -0.058 26.490 0.00 0.00 SOLV ATOM 17189 H1 TIP3 3732 -32.557 -0.170 27.377 0.00 0.00 SOLV ATOM 17190 H2 TIP3 3732 -32.743 -0.974 26.041 0.00 0.00 SOLV ATOM 17191 OH2 TIP3 3733 -35.114 -5.742 23.228 0.00 0.00 SOLV ATOM 17192 H1 TIP3 3733 -34.879 -5.379 22.378 0.00 0.00 SOLV ATOM 17193 H2 TIP3 3733 -35.511 -5.050 23.708 0.00 0.00 SOLV ATOM 17194 OH2 TIP3 3734 -20.004 16.417 15.658 0.00 0.00 SOLV ATOM 17195 H1 TIP3 3734 -19.161 16.336 16.178 0.00 0.00 SOLV ATOM 17196 H2 TIP3 3734 -20.410 17.229 16.088 0.00 0.00 SOLV ATOM 17197 OH2 TIP3 3735 -16.204 -19.742 47.761 0.00 0.00 SOLV ATOM 17198 H1 TIP3 3735 -17.082 -19.938 47.481 0.00 0.00 SOLV ATOM 17199 H2 TIP3 3735 -16.199 -18.739 47.725 0.00 0.00 SOLV ATOM 17200 OH2 TIP3 3736 -15.678 -9.053 14.711 0.00 0.00 SOLV ATOM 17201 H1 TIP3 3736 -16.138 -9.263 15.576 0.00 0.00 SOLV ATOM 17202 H2 TIP3 3736 -16.347 -9.155 13.990 0.00 0.00 SOLV ATOM 17203 OH2 TIP3 3737 -26.592 -10.005 44.141 0.00 0.00 SOLV ATOM 17204 H1 TIP3 3737 -27.204 -9.293 43.925 0.00 0.00 SOLV ATOM 17205 H2 TIP3 3737 -27.168 -10.769 44.118 0.00 0.00 SOLV ATOM 17206 OH2 TIP3 3738 -11.226 -16.248 49.633 0.00 0.00 SOLV ATOM 17207 H1 TIP3 3738 -10.812 -16.633 48.873 0.00 0.00 SOLV ATOM 17208 H2 TIP3 3738 -11.788 -16.967 49.924 0.00 0.00 SOLV ATOM 17209 OH2 TIP3 3739 -15.053 6.491 44.896 0.00 0.00 SOLV ATOM 17210 H1 TIP3 3739 -14.201 6.937 45.101 0.00 0.00 SOLV ATOM 17211 H2 TIP3 3739 -14.766 5.816 44.266 0.00 0.00 SOLV ATOM 17212 OH2 TIP3 3740 -28.468 -13.795 11.345 0.00 0.00 SOLV ATOM 17213 H1 TIP3 3740 -27.681 -13.980 10.833 0.00 0.00 SOLV ATOM 17214 H2 TIP3 3740 -28.436 -12.859 11.531 0.00 0.00 SOLV ATOM 17215 OH2 TIP3 3741 -17.487 -16.832 8.976 0.00 0.00 SOLV ATOM 17216 H1 TIP3 3741 -18.143 -17.226 8.300 0.00 0.00 SOLV ATOM 17217 H2 TIP3 3741 -16.601 -17.223 8.724 0.00 0.00 SOLV ATOM 17218 OH2 TIP3 3742 -17.755 15.571 2.112 0.00 0.00 SOLV ATOM 17219 H1 TIP3 3742 -17.562 14.648 1.894 0.00 0.00 SOLV ATOM 17220 H2 TIP3 3742 -17.633 15.589 3.067 0.00 0.00 SOLV ATOM 17221 OH2 TIP3 3743 -29.486 -16.765 24.163 0.00 0.00 SOLV ATOM 17222 H1 TIP3 3743 -30.093 -17.305 23.670 0.00 0.00 SOLV ATOM 17223 H2 TIP3 3743 -28.613 -17.176 24.145 0.00 0.00 SOLV ATOM 17224 OH2 TIP3 3744 -13.538 4.489 42.977 0.00 0.00 SOLV ATOM 17225 H1 TIP3 3744 -13.387 4.842 42.095 0.00 0.00 SOLV ATOM 17226 H2 TIP3 3744 -13.273 3.594 42.886 0.00 0.00 SOLV ATOM 17227 OH2 TIP3 3745 -20.938 -18.752 29.742 0.00 0.00 SOLV ATOM 17228 H1 TIP3 3745 -21.689 -19.291 30.068 0.00 0.00 SOLV ATOM 17229 H2 TIP3 3745 -20.262 -18.910 30.416 0.00 0.00 SOLV ATOM 17230 OH2 TIP3 3746 -28.176 -22.188 32.893 0.00 0.00 SOLV ATOM 17231 H1 TIP3 3746 -27.305 -21.928 33.236 0.00 0.00 SOLV ATOM 17232 H2 TIP3 3746 -28.100 -23.117 32.754 0.00 0.00 SOLV ATOM 17233 OH2 TIP3 3747 -18.807 -8.083 15.308 0.00 0.00 SOLV ATOM 17234 H1 TIP3 3747 -18.437 -7.225 15.507 0.00 0.00 SOLV ATOM 17235 H2 TIP3 3747 -18.765 -8.564 16.191 0.00 0.00 SOLV ATOM 17236 OH2 TIP3 3748 -30.527 -8.935 33.432 0.00 0.00 SOLV ATOM 17237 H1 TIP3 3748 -30.476 -8.724 32.488 0.00 0.00 SOLV ATOM 17238 H2 TIP3 3748 -31.070 -9.715 33.419 0.00 0.00 SOLV ATOM 17239 OH2 TIP3 3749 0.363 -2.993 47.661 0.00 0.00 SOLV ATOM 17240 H1 TIP3 3749 -0.542 -3.281 47.542 0.00 0.00 SOLV ATOM 17241 H2 TIP3 3749 0.734 -3.460 46.924 0.00 0.00 SOLV ATOM 17242 OH2 TIP3 3750 -17.661 -9.211 40.780 0.00 0.00 SOLV ATOM 17243 H1 TIP3 3750 -16.918 -9.451 40.171 0.00 0.00 SOLV ATOM 17244 H2 TIP3 3750 -17.885 -10.110 41.199 0.00 0.00 SOLV ATOM 17245 OH2 TIP3 3751 -19.589 -3.050 37.630 0.00 0.00 SOLV ATOM 17246 H1 TIP3 3751 -20.361 -2.605 38.144 0.00 0.00 SOLV ATOM 17247 H2 TIP3 3751 -20.072 -3.665 37.111 0.00 0.00 SOLV ATOM 17248 OH2 TIP3 3752 -9.191 -3.465 43.604 0.00 0.00 SOLV ATOM 17249 H1 TIP3 3752 -8.697 -2.614 43.914 0.00 0.00 SOLV ATOM 17250 H2 TIP3 3752 -9.801 -3.114 42.934 0.00 0.00 SOLV ATOM 17251 OH2 TIP3 3753 -23.108 13.190 6.636 0.00 0.00 SOLV ATOM 17252 H1 TIP3 3753 -23.687 13.026 7.349 0.00 0.00 SOLV ATOM 17253 H2 TIP3 3753 -22.946 12.288 6.245 0.00 0.00 SOLV ATOM 17254 OH2 TIP3 3754 -29.964 -7.884 28.240 0.00 0.00 SOLV ATOM 17255 H1 TIP3 3754 -29.299 -7.437 28.762 0.00 0.00 SOLV ATOM 17256 H2 TIP3 3754 -30.021 -8.733 28.682 0.00 0.00 SOLV ATOM 17257 OH2 TIP3 3755 0.621 -25.641 38.001 0.00 0.00 SOLV ATOM 17258 H1 TIP3 3755 -0.276 -25.628 37.633 0.00 0.00 SOLV ATOM 17259 H2 TIP3 3755 0.515 -26.522 38.429 0.00 0.00 SOLV ATOM 17260 OH2 TIP3 3756 -14.244 -32.344 19.082 0.00 0.00 SOLV ATOM 17261 H1 TIP3 3756 -13.913 -32.726 19.922 0.00 0.00 SOLV ATOM 17262 H2 TIP3 3756 -13.590 -31.605 18.807 0.00 0.00 SOLV ATOM 17263 OH2 TIP3 3757 -20.421 -0.519 29.498 0.00 0.00 SOLV ATOM 17264 H1 TIP3 3757 -19.511 -0.597 29.754 0.00 0.00 SOLV ATOM 17265 H2 TIP3 3757 -20.994 -0.469 30.265 0.00 0.00 SOLV ATOM 17266 OH2 TIP3 3758 -15.734 -1.028 40.639 0.00 0.00 SOLV ATOM 17267 H1 TIP3 3758 -15.754 -0.355 41.299 0.00 0.00 SOLV ATOM 17268 H2 TIP3 3758 -16.204 -0.661 39.873 0.00 0.00 SOLV ATOM 17269 OH2 TIP3 3759 2.358 22.736 6.480 0.00 0.00 SOLV ATOM 17270 H1 TIP3 3759 1.767 23.512 6.333 0.00 0.00 SOLV ATOM 17271 H2 TIP3 3759 2.141 22.565 7.422 0.00 0.00 SOLV ATOM 17272 OH2 TIP3 3760 -28.220 -11.844 31.743 0.00 0.00 SOLV ATOM 17273 H1 TIP3 3760 -28.381 -12.407 32.482 0.00 0.00 SOLV ATOM 17274 H2 TIP3 3760 -28.149 -10.892 32.086 0.00 0.00 SOLV ATOM 17275 OH2 TIP3 3761 -21.603 -6.830 14.704 0.00 0.00 SOLV ATOM 17276 H1 TIP3 3761 -21.643 -7.747 14.433 0.00 0.00 SOLV ATOM 17277 H2 TIP3 3761 -21.861 -6.397 13.916 0.00 0.00 SOLV ATOM 17278 OH2 TIP3 3762 -24.352 16.756 10.713 0.00 0.00 SOLV ATOM 17279 H1 TIP3 3762 -24.484 16.698 11.681 0.00 0.00 SOLV ATOM 17280 H2 TIP3 3762 -25.208 16.994 10.336 0.00 0.00 SOLV ATOM 17281 OH2 TIP3 3763 -28.869 -6.117 34.254 0.00 0.00 SOLV ATOM 17282 H1 TIP3 3763 -28.821 -5.291 33.758 0.00 0.00 SOLV ATOM 17283 H2 TIP3 3763 -29.611 -6.590 33.856 0.00 0.00 SOLV ATOM 17284 OH2 TIP3 3764 -1.010 5.833 2.183 0.00 0.00 SOLV ATOM 17285 H1 TIP3 3764 -1.199 5.947 1.244 0.00 0.00 SOLV ATOM 17286 H2 TIP3 3764 -1.050 6.740 2.563 0.00 0.00 SOLV ATOM 17287 OH2 TIP3 3765 5.679 1.960 -2.313 0.00 0.00 SOLV ATOM 17288 H1 TIP3 3765 5.596 1.009 -2.136 0.00 0.00 SOLV ATOM 17289 H2 TIP3 3765 6.161 1.992 -3.130 0.00 0.00 SOLV ATOM 17290 OH2 TIP3 3766 -14.176 4.780 26.234 0.00 0.00 SOLV ATOM 17291 H1 TIP3 3766 -15.097 5.002 26.372 0.00 0.00 SOLV ATOM 17292 H2 TIP3 3766 -14.159 4.302 25.378 0.00 0.00 SOLV ATOM 17293 OH2 TIP3 3767 -7.901 -26.628 40.073 0.00 0.00 SOLV ATOM 17294 H1 TIP3 3767 -8.785 -26.207 40.229 0.00 0.00 SOLV ATOM 17295 H2 TIP3 3767 -7.386 -26.275 40.863 0.00 0.00 SOLV ATOM 17296 OH2 TIP3 3768 -22.800 -0.124 21.074 0.00 0.00 SOLV ATOM 17297 H1 TIP3 3768 -22.423 -0.320 20.200 0.00 0.00 SOLV ATOM 17298 H2 TIP3 3768 -23.525 -0.772 21.130 0.00 0.00 SOLV ATOM 17299 OH2 TIP3 3769 11.503 -12.698 21.186 0.00 0.00 SOLV ATOM 17300 H1 TIP3 3769 11.795 -13.608 20.937 0.00 0.00 SOLV ATOM 17301 H2 TIP3 3769 10.697 -12.906 21.679 0.00 0.00 SOLV ATOM 17302 OH2 TIP3 3770 -27.735 6.397 32.473 0.00 0.00 SOLV ATOM 17303 H1 TIP3 3770 -27.293 5.763 33.073 0.00 0.00 SOLV ATOM 17304 H2 TIP3 3770 -27.148 7.196 32.450 0.00 0.00 SOLV ATOM 17305 OH2 TIP3 3771 -11.824 -29.283 27.821 0.00 0.00 SOLV ATOM 17306 H1 TIP3 3771 -12.648 -29.648 27.497 0.00 0.00 SOLV ATOM 17307 H2 TIP3 3771 -11.595 -29.637 28.682 0.00 0.00 SOLV ATOM 17308 OH2 TIP3 3772 -17.814 -6.381 8.230 0.00 0.00 SOLV ATOM 17309 H1 TIP3 3772 -17.323 -5.781 8.796 0.00 0.00 SOLV ATOM 17310 H2 TIP3 3772 -17.768 -7.217 8.750 0.00 0.00 SOLV ATOM 17311 OH2 TIP3 3773 -30.977 -0.128 28.769 0.00 0.00 SOLV ATOM 17312 H1 TIP3 3773 -30.428 0.056 29.511 0.00 0.00 SOLV ATOM 17313 H2 TIP3 3773 -31.482 0.672 28.718 0.00 0.00 SOLV ATOM 17314 OH2 TIP3 3774 -28.443 -0.644 32.301 0.00 0.00 SOLV ATOM 17315 H1 TIP3 3774 -28.949 0.197 32.330 0.00 0.00 SOLV ATOM 17316 H2 TIP3 3774 -28.057 -0.513 31.461 0.00 0.00 SOLV ATOM 17317 OH2 TIP3 3775 -6.743 -4.575 51.197 0.00 0.00 SOLV ATOM 17318 H1 TIP3 3775 -7.235 -5.120 51.877 0.00 0.00 SOLV ATOM 17319 H2 TIP3 3775 -5.875 -4.422 51.594 0.00 0.00 SOLV ATOM 17320 OH2 TIP3 3776 -13.218 -5.979 35.876 0.00 0.00 SOLV ATOM 17321 H1 TIP3 3776 -13.229 -6.888 36.190 0.00 0.00 SOLV ATOM 17322 H2 TIP3 3776 -13.936 -5.517 36.404 0.00 0.00 SOLV ATOM 17323 OH2 TIP3 3777 -22.152 11.463 31.027 0.00 0.00 SOLV ATOM 17324 H1 TIP3 3777 -22.834 11.431 31.761 0.00 0.00 SOLV ATOM 17325 H2 TIP3 3777 -22.462 10.761 30.405 0.00 0.00 SOLV ATOM 17326 OH2 TIP3 3778 -16.493 11.661 33.806 0.00 0.00 SOLV ATOM 17327 H1 TIP3 3778 -16.727 10.739 33.510 0.00 0.00 SOLV ATOM 17328 H2 TIP3 3778 -16.433 12.047 32.907 0.00 0.00 SOLV ATOM 17329 OH2 TIP3 3779 -20.935 2.870 27.961 0.00 0.00 SOLV ATOM 17330 H1 TIP3 3779 -19.927 2.918 28.059 0.00 0.00 SOLV ATOM 17331 H2 TIP3 3779 -21.076 2.103 27.404 0.00 0.00 SOLV ATOM 17332 OH2 TIP3 3780 -24.423 5.067 20.250 0.00 0.00 SOLV ATOM 17333 H1 TIP3 3780 -23.991 5.491 21.073 0.00 0.00 SOLV ATOM 17334 H2 TIP3 3780 -25.406 5.103 20.351 0.00 0.00 SOLV ATOM 17335 OH2 TIP3 3781 -8.747 -0.219 44.778 0.00 0.00 SOLV ATOM 17336 H1 TIP3 3781 -8.807 -0.606 43.847 0.00 0.00 SOLV ATOM 17337 H2 TIP3 3781 -7.772 -0.354 45.002 0.00 0.00 SOLV ATOM 17338 OH2 TIP3 3782 -32.764 12.085 15.885 0.00 0.00 SOLV ATOM 17339 H1 TIP3 3782 -33.316 12.502 15.177 0.00 0.00 SOLV ATOM 17340 H2 TIP3 3782 -31.899 11.887 15.411 0.00 0.00 SOLV ATOM 17341 OH2 TIP3 3783 -21.927 1.039 23.472 0.00 0.00 SOLV ATOM 17342 H1 TIP3 3783 -21.066 1.430 23.256 0.00 0.00 SOLV ATOM 17343 H2 TIP3 3783 -22.257 0.673 22.572 0.00 0.00 SOLV ATOM 17344 OH2 TIP3 3784 -35.545 0.518 16.695 0.00 0.00 SOLV ATOM 17345 H1 TIP3 3784 -35.869 0.273 17.589 0.00 0.00 SOLV ATOM 17346 H2 TIP3 3784 -36.272 0.934 16.293 0.00 0.00 SOLV ATOM 17347 OH2 TIP3 3785 -12.227 -39.723 30.625 0.00 0.00 SOLV ATOM 17348 H1 TIP3 3785 -11.456 -40.354 30.499 0.00 0.00 SOLV ATOM 17349 H2 TIP3 3785 -11.957 -38.975 30.035 0.00 0.00 SOLV ATOM 17350 OH2 TIP3 3786 -11.806 -4.280 41.491 0.00 0.00 SOLV ATOM 17351 H1 TIP3 3786 -12.301 -4.307 42.371 0.00 0.00 SOLV ATOM 17352 H2 TIP3 3786 -11.077 -4.916 41.704 0.00 0.00 SOLV ATOM 17353 OH2 TIP3 3787 -23.888 5.006 36.519 0.00 0.00 SOLV ATOM 17354 H1 TIP3 3787 -23.346 5.564 37.114 0.00 0.00 SOLV ATOM 17355 H2 TIP3 3787 -24.158 4.223 37.071 0.00 0.00 SOLV ATOM 17356 OH2 TIP3 3788 -19.612 14.708 30.728 0.00 0.00 SOLV ATOM 17357 H1 TIP3 3788 -18.695 15.015 30.787 0.00 0.00 SOLV ATOM 17358 H2 TIP3 3788 -20.159 15.560 30.727 0.00 0.00 SOLV ATOM 17359 OH2 TIP3 3789 -22.149 1.408 31.616 0.00 0.00 SOLV ATOM 17360 H1 TIP3 3789 -21.414 2.056 31.735 0.00 0.00 SOLV ATOM 17361 H2 TIP3 3789 -21.734 0.590 31.977 0.00 0.00 SOLV ATOM 17362 OH2 TIP3 3790 -8.617 -40.977 24.810 0.00 0.00 SOLV ATOM 17363 H1 TIP3 3790 -9.067 -41.490 24.043 0.00 0.00 SOLV ATOM 17364 H2 TIP3 3790 -9.334 -40.638 25.338 0.00 0.00 SOLV ATOM 17365 OH2 TIP3 3791 -29.044 -2.963 5.496 0.00 0.00 SOLV ATOM 17366 H1 TIP3 3791 -29.619 -3.733 5.161 0.00 0.00 SOLV ATOM 17367 H2 TIP3 3791 -28.571 -2.589 4.692 0.00 0.00 SOLV ATOM 17368 OH2 TIP3 3792 -10.106 -46.039 22.764 0.00 0.00 SOLV ATOM 17369 H1 TIP3 3792 -10.293 -46.698 23.417 0.00 0.00 SOLV ATOM 17370 H2 TIP3 3792 -10.352 -46.474 21.908 0.00 0.00 SOLV ATOM 17371 OH2 TIP3 3793 -19.767 7.990 28.323 0.00 0.00 SOLV ATOM 17372 H1 TIP3 3793 -20.535 8.259 27.846 0.00 0.00 SOLV ATOM 17373 H2 TIP3 3793 -19.151 7.752 27.636 0.00 0.00 SOLV ATOM 17374 OH2 TIP3 3794 -25.482 12.927 21.927 0.00 0.00 SOLV ATOM 17375 H1 TIP3 3794 -26.011 13.621 22.253 0.00 0.00 SOLV ATOM 17376 H2 TIP3 3794 -25.302 13.174 20.951 0.00 0.00 SOLV ATOM 17377 OH2 TIP3 3795 -18.336 -20.283 21.957 0.00 0.00 SOLV ATOM 17378 H1 TIP3 3795 -18.421 -20.166 22.887 0.00 0.00 SOLV ATOM 17379 H2 TIP3 3795 -18.487 -19.436 21.577 0.00 0.00 SOLV ATOM 17380 OH2 TIP3 3796 -16.797 9.755 38.327 0.00 0.00 SOLV ATOM 17381 H1 TIP3 3796 -16.772 9.758 37.368 0.00 0.00 SOLV ATOM 17382 H2 TIP3 3796 -17.145 8.858 38.541 0.00 0.00 SOLV ATOM 17383 OH2 TIP3 3797 -1.493 9.364 24.326 0.00 0.00 SOLV ATOM 17384 H1 TIP3 3797 -1.161 9.017 25.085 0.00 0.00 SOLV ATOM 17385 H2 TIP3 3797 -2.452 9.169 24.504 0.00 0.00 SOLV ATOM 17386 OH2 TIP3 3798 23.574 12.837 33.240 0.00 0.00 SOLV ATOM 17387 H1 TIP3 3798 23.933 12.404 33.997 0.00 0.00 SOLV ATOM 17388 H2 TIP3 3798 23.727 13.754 33.486 0.00 0.00 SOLV ATOM 17389 OH2 TIP3 3799 -21.560 -36.155 36.159 0.00 0.00 SOLV ATOM 17390 H1 TIP3 3799 -21.005 -35.889 36.967 0.00 0.00 SOLV ATOM 17391 H2 TIP3 3799 -22.381 -36.120 36.631 0.00 0.00 SOLV ATOM 17392 OH2 TIP3 3800 12.251 6.779 1.745 0.00 0.00 SOLV ATOM 17393 H1 TIP3 3800 12.782 7.575 1.841 0.00 0.00 SOLV ATOM 17394 H2 TIP3 3800 12.781 6.208 1.112 0.00 0.00 SOLV ATOM 17395 OH2 TIP3 3801 -26.100 9.266 6.959 0.00 0.00 SOLV ATOM 17396 H1 TIP3 3801 -26.802 9.748 6.448 0.00 0.00 SOLV ATOM 17397 H2 TIP3 3801 -25.603 8.705 6.297 0.00 0.00 SOLV ATOM 17398 OH2 TIP3 3802 -9.923 -35.160 28.742 0.00 0.00 SOLV ATOM 17399 H1 TIP3 3802 -9.878 -35.696 29.568 0.00 0.00 SOLV ATOM 17400 H2 TIP3 3802 -9.485 -34.357 28.948 0.00 0.00 SOLV ATOM 17401 OH2 TIP3 3803 -17.680 20.484 0.952 0.00 0.00 SOLV ATOM 17402 H1 TIP3 3803 -17.201 19.666 1.236 0.00 0.00 SOLV ATOM 17403 H2 TIP3 3803 -18.397 20.525 1.624 0.00 0.00 SOLV ATOM 17404 OH2 TIP3 3804 -15.083 -40.103 28.632 0.00 0.00 SOLV ATOM 17405 H1 TIP3 3804 -15.790 -40.664 29.021 0.00 0.00 SOLV ATOM 17406 H2 TIP3 3804 -15.007 -39.348 29.239 0.00 0.00 SOLV ATOM 17407 OH2 TIP3 3805 -17.074 12.494 36.459 0.00 0.00 SOLV ATOM 17408 H1 TIP3 3805 -16.863 12.232 35.558 0.00 0.00 SOLV ATOM 17409 H2 TIP3 3805 -16.237 12.302 36.941 0.00 0.00 SOLV ATOM 17410 OH2 TIP3 3806 -18.365 -27.990 10.322 0.00 0.00 SOLV ATOM 17411 H1 TIP3 3806 -18.809 -27.657 9.494 0.00 0.00 SOLV ATOM 17412 H2 TIP3 3806 -19.032 -28.100 10.973 0.00 0.00 SOLV ATOM 17413 OH2 TIP3 3807 -15.978 -33.978 13.770 0.00 0.00 SOLV ATOM 17414 H1 TIP3 3807 -15.189 -34.292 14.377 0.00 0.00 SOLV ATOM 17415 H2 TIP3 3807 -16.583 -34.728 13.823 0.00 0.00 SOLV ATOM 17416 OH2 TIP3 3808 -7.749 -34.878 21.470 0.00 0.00 SOLV ATOM 17417 H1 TIP3 3808 -8.091 -35.532 20.799 0.00 0.00 SOLV ATOM 17418 H2 TIP3 3808 -6.793 -34.776 21.246 0.00 0.00 SOLV ATOM 17419 OH2 TIP3 3809 -18.730 -35.168 30.013 0.00 0.00 SOLV ATOM 17420 H1 TIP3 3809 -19.144 -36.023 29.747 0.00 0.00 SOLV ATOM 17421 H2 TIP3 3809 -19.223 -34.963 30.856 0.00 0.00 SOLV ATOM 17422 OH2 TIP3 3810 -13.115 -41.638 21.331 0.00 0.00 SOLV ATOM 17423 H1 TIP3 3810 -13.145 -40.652 21.434 0.00 0.00 SOLV ATOM 17424 H2 TIP3 3810 -13.266 -41.961 22.245 0.00 0.00 SOLV ATOM 17425 OH2 TIP3 3811 -19.394 -38.701 16.783 0.00 0.00 SOLV ATOM 17426 H1 TIP3 3811 -18.761 -39.380 16.948 0.00 0.00 SOLV ATOM 17427 H2 TIP3 3811 -20.038 -38.778 17.518 0.00 0.00 SOLV ATOM 17428 OH2 TIP3 3812 -18.714 7.655 4.237 0.00 0.00 SOLV ATOM 17429 H1 TIP3 3812 -19.382 7.816 4.955 0.00 0.00 SOLV ATOM 17430 H2 TIP3 3812 -18.039 7.152 4.726 0.00 0.00 SOLV ATOM 17431 OH2 TIP3 3813 -16.645 -40.463 9.545 0.00 0.00 SOLV ATOM 17432 H1 TIP3 3813 -16.184 -40.037 8.843 0.00 0.00 SOLV ATOM 17433 H2 TIP3 3813 -16.914 -41.364 9.247 0.00 0.00 SOLV ATOM 17434 OH2 TIP3 3814 -18.355 -36.781 10.547 0.00 0.00 SOLV ATOM 17435 H1 TIP3 3814 -19.037 -36.185 10.919 0.00 0.00 SOLV ATOM 17436 H2 TIP3 3814 -18.740 -37.726 10.734 0.00 0.00 SOLV ATOM 17437 OH2 TIP3 3815 -29.599 -27.520 24.556 0.00 0.00 SOLV ATOM 17438 H1 TIP3 3815 -29.478 -26.888 25.276 0.00 0.00 SOLV ATOM 17439 H2 TIP3 3815 -29.745 -28.328 25.056 0.00 0.00 SOLV ATOM 17440 OH2 TIP3 3816 -2.754 -35.323 30.743 0.00 0.00 SOLV ATOM 17441 H1 TIP3 3816 -1.844 -35.048 30.430 0.00 0.00 SOLV ATOM 17442 H2 TIP3 3816 -3.172 -35.631 29.922 0.00 0.00 SOLV ATOM 17443 OH2 TIP3 3817 -23.209 -36.740 12.164 0.00 0.00 SOLV ATOM 17444 H1 TIP3 3817 -23.671 -35.905 12.032 0.00 0.00 SOLV ATOM 17445 H2 TIP3 3817 -22.996 -36.698 13.047 0.00 0.00 SOLV ATOM 17446 OH2 TIP3 3818 -6.916 -33.852 7.509 0.00 0.00 SOLV ATOM 17447 H1 TIP3 3818 -6.659 -33.310 6.750 0.00 0.00 SOLV ATOM 17448 H2 TIP3 3818 -7.673 -33.366 7.807 0.00 0.00 SOLV ATOM 17449 OH2 TIP3 3819 -16.822 -37.790 23.999 0.00 0.00 SOLV ATOM 17450 H1 TIP3 3819 -15.976 -37.602 24.446 0.00 0.00 SOLV ATOM 17451 H2 TIP3 3819 -16.545 -37.963 23.067 0.00 0.00 SOLV ATOM 17452 OH2 TIP3 3820 -10.403 -25.172 11.153 0.00 0.00 SOLV ATOM 17453 H1 TIP3 3820 -10.169 -25.736 11.861 0.00 0.00 SOLV ATOM 17454 H2 TIP3 3820 -11.377 -25.002 11.338 0.00 0.00 SOLV ATOM 17455 OH2 TIP3 3821 -23.116 -32.737 36.927 0.00 0.00 SOLV ATOM 17456 H1 TIP3 3821 -23.851 -32.277 36.489 0.00 0.00 SOLV ATOM 17457 H2 TIP3 3821 -22.683 -33.042 36.114 0.00 0.00 SOLV ATOM 17458 OH2 TIP3 3822 -12.017 -33.584 42.976 0.00 0.00 SOLV ATOM 17459 H1 TIP3 3822 -11.268 -33.083 42.679 0.00 0.00 SOLV ATOM 17460 H2 TIP3 3822 -12.728 -32.946 42.842 0.00 0.00 SOLV ATOM 17461 OH2 TIP3 3823 -9.970 -36.230 26.330 0.00 0.00 SOLV ATOM 17462 H1 TIP3 3823 -10.096 -35.978 27.284 0.00 0.00 SOLV ATOM 17463 H2 TIP3 3823 -10.651 -35.658 25.842 0.00 0.00 SOLV ATOM 17464 OH2 TIP3 3824 -10.581 -31.121 44.257 0.00 0.00 SOLV ATOM 17465 H1 TIP3 3824 -10.732 -31.517 45.132 0.00 0.00 SOLV ATOM 17466 H2 TIP3 3824 -11.369 -30.552 44.179 0.00 0.00 SOLV ATOM 17467 OH2 TIP3 3825 -4.479 -30.853 8.531 0.00 0.00 SOLV ATOM 17468 H1 TIP3 3825 -4.504 -29.915 8.521 0.00 0.00 SOLV ATOM 17469 H2 TIP3 3825 -5.185 -31.083 9.087 0.00 0.00 SOLV ATOM 17470 OH2 TIP3 3826 -22.752 -24.356 27.590 0.00 0.00 SOLV ATOM 17471 H1 TIP3 3826 -23.174 -23.848 26.880 0.00 0.00 SOLV ATOM 17472 H2 TIP3 3826 -22.836 -25.273 27.255 0.00 0.00 SOLV ATOM 17473 OH2 TIP3 3827 -12.261 -34.689 24.751 0.00 0.00 SOLV ATOM 17474 H1 TIP3 3827 -12.262 -34.204 25.565 0.00 0.00 SOLV ATOM 17475 H2 TIP3 3827 -11.484 -34.302 24.241 0.00 0.00 SOLV ATOM 17476 OH2 TIP3 3828 -9.825 -42.295 20.009 0.00 0.00 SOLV ATOM 17477 H1 TIP3 3828 -9.767 -41.872 19.095 0.00 0.00 SOLV ATOM 17478 H2 TIP3 3828 -10.499 -43.026 19.809 0.00 0.00 SOLV ATOM 17479 OH2 TIP3 3829 -8.373 -13.150 7.636 0.00 0.00 SOLV ATOM 17480 H1 TIP3 3829 -7.824 -13.885 7.290 0.00 0.00 SOLV ATOM 17481 H2 TIP3 3829 -7.968 -12.988 8.515 0.00 0.00 SOLV ATOM 17482 OH2 TIP3 3830 -18.594 -29.027 28.976 0.00 0.00 SOLV ATOM 17483 H1 TIP3 3830 -19.064 -29.875 29.276 0.00 0.00 SOLV ATOM 17484 H2 TIP3 3830 -17.741 -29.017 29.459 0.00 0.00 SOLV ATOM 17485 OH2 TIP3 3831 -26.853 -14.854 26.673 0.00 0.00 SOLV ATOM 17486 H1 TIP3 3831 -27.841 -14.992 26.899 0.00 0.00 SOLV ATOM 17487 H2 TIP3 3831 -26.393 -15.609 27.164 0.00 0.00 SOLV ATOM 17488 OH2 TIP3 3832 -23.945 -36.061 27.172 0.00 0.00 SOLV ATOM 17489 H1 TIP3 3832 -23.961 -37.039 26.969 0.00 0.00 SOLV ATOM 17490 H2 TIP3 3832 -22.990 -35.871 26.963 0.00 0.00 SOLV ATOM 17491 OH2 TIP3 3833 -19.901 -24.616 32.402 0.00 0.00 SOLV ATOM 17492 H1 TIP3 3833 -19.339 -25.341 32.012 0.00 0.00 SOLV ATOM 17493 H2 TIP3 3833 -20.001 -24.006 31.661 0.00 0.00 SOLV ATOM 17494 OH2 TIP3 3834 -8.266 -32.237 24.838 0.00 0.00 SOLV ATOM 17495 H1 TIP3 3834 -8.312 -31.234 25.080 0.00 0.00 SOLV ATOM 17496 H2 TIP3 3834 -9.161 -32.564 24.727 0.00 0.00 SOLV ATOM 17497 OH2 TIP3 3835 -19.415 -26.254 36.680 0.00 0.00 SOLV ATOM 17498 H1 TIP3 3835 -20.117 -26.892 36.564 0.00 0.00 SOLV ATOM 17499 H2 TIP3 3835 -19.779 -25.428 36.429 0.00 0.00 SOLV ATOM 17500 OH2 TIP3 3836 -21.008 -19.541 40.688 0.00 0.00 SOLV ATOM 17501 H1 TIP3 3836 -21.942 -19.784 40.917 0.00 0.00 SOLV ATOM 17502 H2 TIP3 3836 -20.817 -18.845 41.306 0.00 0.00 SOLV ATOM 17503 OH2 TIP3 3837 -13.795 -31.704 41.470 0.00 0.00 SOLV ATOM 17504 H1 TIP3 3837 -14.172 -30.978 42.018 0.00 0.00 SOLV ATOM 17505 H2 TIP3 3837 -14.569 -31.967 40.889 0.00 0.00 SOLV ATOM 17506 OH2 TIP3 3838 -16.353 -36.840 13.894 0.00 0.00 SOLV ATOM 17507 H1 TIP3 3838 -16.247 -37.240 13.059 0.00 0.00 SOLV ATOM 17508 H2 TIP3 3838 -15.483 -36.507 14.083 0.00 0.00 SOLV ATOM 17509 OH2 TIP3 3839 -20.412 4.352 -4.067 0.00 0.00 SOLV ATOM 17510 H1 TIP3 3839 -20.157 3.956 -4.879 0.00 0.00 SOLV ATOM 17511 H2 TIP3 3839 -20.715 3.622 -3.522 0.00 0.00 SOLV ATOM 17512 OH2 TIP3 3840 -19.700 -31.592 30.655 0.00 0.00 SOLV ATOM 17513 H1 TIP3 3840 -20.465 -31.924 30.196 0.00 0.00 SOLV ATOM 17514 H2 TIP3 3840 -19.817 -32.037 31.524 0.00 0.00 SOLV ATOM 17515 OH2 TIP3 3841 -17.889 -12.344 16.568 0.00 0.00 SOLV ATOM 17516 H1 TIP3 3841 -17.377 -13.162 16.626 0.00 0.00 SOLV ATOM 17517 H2 TIP3 3841 -18.149 -12.291 15.614 0.00 0.00 SOLV ATOM 17518 OH2 TIP3 3842 -22.733 -27.262 46.435 0.00 0.00 SOLV ATOM 17519 H1 TIP3 3842 -22.397 -26.390 46.271 0.00 0.00 SOLV ATOM 17520 H2 TIP3 3842 -21.911 -27.849 46.375 0.00 0.00 SOLV ATOM 17521 OH2 TIP3 3843 -17.279 -30.117 40.438 0.00 0.00 SOLV ATOM 17522 H1 TIP3 3843 -18.076 -29.628 40.674 0.00 0.00 SOLV ATOM 17523 H2 TIP3 3843 -16.682 -29.492 40.036 0.00 0.00 SOLV ATOM 17524 OH2 TIP3 3844 -3.407 -32.159 44.616 0.00 0.00 SOLV ATOM 17525 H1 TIP3 3844 -4.004 -31.815 45.251 0.00 0.00 SOLV ATOM 17526 H2 TIP3 3844 -2.615 -31.745 44.800 0.00 0.00 SOLV ATOM 17527 OH2 TIP3 3845 -27.440 -31.066 35.594 0.00 0.00 SOLV ATOM 17528 H1 TIP3 3845 -27.613 -30.137 35.759 0.00 0.00 SOLV ATOM 17529 H2 TIP3 3845 -26.578 -31.096 36.101 0.00 0.00 SOLV ATOM 17530 OH2 TIP3 3846 -17.711 -9.552 19.724 0.00 0.00 SOLV ATOM 17531 H1 TIP3 3846 -18.353 -9.907 20.337 0.00 0.00 SOLV ATOM 17532 H2 TIP3 3846 -17.078 -9.036 20.324 0.00 0.00 SOLV ATOM 17533 OH2 TIP3 3847 -7.018 -18.738 4.992 0.00 0.00 SOLV ATOM 17534 H1 TIP3 3847 -7.795 -19.389 5.091 0.00 0.00 SOLV ATOM 17535 H2 TIP3 3847 -7.017 -18.655 4.041 0.00 0.00 SOLV ATOM 17536 OH2 TIP3 3848 -24.682 -26.189 15.975 0.00 0.00 SOLV ATOM 17537 H1 TIP3 3848 -24.968 -25.725 16.764 0.00 0.00 SOLV ATOM 17538 H2 TIP3 3848 -23.714 -26.084 16.002 0.00 0.00 SOLV ATOM 17539 OH2 TIP3 3849 -28.386 -21.727 21.115 0.00 0.00 SOLV ATOM 17540 H1 TIP3 3849 -27.876 -21.050 20.726 0.00 0.00 SOLV ATOM 17541 H2 TIP3 3849 -28.932 -21.235 21.712 0.00 0.00 SOLV ATOM 17542 OH2 TIP3 3850 -14.026 -27.299 11.535 0.00 0.00 SOLV ATOM 17543 H1 TIP3 3850 -14.491 -28.157 11.542 0.00 0.00 SOLV ATOM 17544 H2 TIP3 3850 -13.066 -27.520 11.679 0.00 0.00 SOLV ATOM 17545 OH2 TIP3 3851 -25.214 -20.595 26.714 0.00 0.00 SOLV ATOM 17546 H1 TIP3 3851 -25.857 -19.804 26.795 0.00 0.00 SOLV ATOM 17547 H2 TIP3 3851 -25.275 -20.800 25.760 0.00 0.00 SOLV ATOM 17548 OH2 TIP3 3852 -20.118 -17.434 14.920 0.00 0.00 SOLV ATOM 17549 H1 TIP3 3852 -19.229 -17.741 14.783 0.00 0.00 SOLV ATOM 17550 H2 TIP3 3852 -19.952 -16.484 14.809 0.00 0.00 SOLV ATOM 17551 OH2 TIP3 3853 -22.210 -29.672 26.524 0.00 0.00 SOLV ATOM 17552 H1 TIP3 3853 -22.736 -29.728 27.306 0.00 0.00 SOLV ATOM 17553 H2 TIP3 3853 -22.414 -30.472 26.017 0.00 0.00 SOLV ATOM 17554 OH2 TIP3 3854 -21.997 -25.608 16.190 0.00 0.00 SOLV ATOM 17555 H1 TIP3 3854 -21.611 -24.857 16.491 0.00 0.00 SOLV ATOM 17556 H2 TIP3 3854 -21.413 -25.865 15.424 0.00 0.00 SOLV ATOM 17557 OH2 TIP3 3855 -21.780 -33.326 42.898 0.00 0.00 SOLV ATOM 17558 H1 TIP3 3855 -21.321 -33.929 42.316 0.00 0.00 SOLV ATOM 17559 H2 TIP3 3855 -22.641 -33.608 42.858 0.00 0.00 SOLV ATOM 17560 OH2 TIP3 3856 -25.823 -21.706 34.193 0.00 0.00 SOLV ATOM 17561 H1 TIP3 3856 -25.781 -22.364 34.985 0.00 0.00 SOLV ATOM 17562 H2 TIP3 3856 -24.965 -21.885 33.694 0.00 0.00 SOLV ATOM 17563 OH2 TIP3 3857 -12.135 -18.894 53.769 0.00 0.00 SOLV ATOM 17564 H1 TIP3 3857 -13.040 -18.924 53.351 0.00 0.00 SOLV ATOM 17565 H2 TIP3 3857 -12.285 -18.417 54.597 0.00 0.00 SOLV ATOM 17566 OH2 TIP3 3858 -14.827 -22.840 9.467 0.00 0.00 SOLV ATOM 17567 H1 TIP3 3858 -15.186 -21.970 9.031 0.00 0.00 SOLV ATOM 17568 H2 TIP3 3858 -13.820 -22.687 9.419 0.00 0.00 SOLV ATOM 17569 OH2 TIP3 3859 0.593 -28.882 17.982 0.00 0.00 SOLV ATOM 17570 H1 TIP3 3859 1.324 -28.313 17.660 0.00 0.00 SOLV ATOM 17571 H2 TIP3 3859 -0.179 -28.327 17.812 0.00 0.00 SOLV ATOM 17572 OH2 TIP3 3860 -2.205 -25.461 13.087 0.00 0.00 SOLV ATOM 17573 H1 TIP3 3860 -2.813 -26.165 12.621 0.00 0.00 SOLV ATOM 17574 H2 TIP3 3860 -2.392 -24.712 12.588 0.00 0.00 SOLV ATOM 17575 OH2 TIP3 3861 -25.796 -25.660 18.548 0.00 0.00 SOLV ATOM 17576 H1 TIP3 3861 -26.433 -25.334 19.260 0.00 0.00 SOLV ATOM 17577 H2 TIP3 3861 -24.964 -25.234 18.802 0.00 0.00 SOLV ATOM 17578 OH2 TIP3 3862 -18.026 -37.613 32.872 0.00 0.00 SOLV ATOM 17579 H1 TIP3 3862 -18.250 -36.707 32.579 0.00 0.00 SOLV ATOM 17580 H2 TIP3 3862 -18.869 -37.896 33.211 0.00 0.00 SOLV ATOM 17581 OH2 TIP3 3863 -25.125 -12.516 34.250 0.00 0.00 SOLV ATOM 17582 H1 TIP3 3863 -25.546 -11.901 34.864 0.00 0.00 SOLV ATOM 17583 H2 TIP3 3863 -25.641 -12.386 33.455 0.00 0.00 SOLV ATOM 17584 OH2 TIP3 3864 -8.002 -26.482 46.501 0.00 0.00 SOLV ATOM 17585 H1 TIP3 3864 -8.690 -27.065 46.852 0.00 0.00 SOLV ATOM 17586 H2 TIP3 3864 -7.302 -27.133 46.214 0.00 0.00 SOLV ATOM 17587 OH2 TIP3 3865 5.465 -23.444 43.101 0.00 0.00 SOLV ATOM 17588 H1 TIP3 3865 6.301 -23.216 42.687 0.00 0.00 SOLV ATOM 17589 H2 TIP3 3865 4.829 -23.369 42.360 0.00 0.00 SOLV ATOM 17590 OH2 TIP3 3866 -15.987 -20.377 50.732 0.00 0.00 SOLV ATOM 17591 H1 TIP3 3866 -15.372 -21.109 50.522 0.00 0.00 SOLV ATOM 17592 H2 TIP3 3866 -16.081 -19.965 49.821 0.00 0.00 SOLV ATOM 17593 OH2 TIP3 3867 -10.762 -18.341 56.401 0.00 0.00 SOLV ATOM 17594 H1 TIP3 3867 -11.240 -17.780 57.011 0.00 0.00 SOLV ATOM 17595 H2 TIP3 3867 -11.302 -19.083 56.314 0.00 0.00 SOLV ATOM 17596 OH2 TIP3 3868 -18.732 -17.377 37.960 0.00 0.00 SOLV ATOM 17597 H1 TIP3 3868 -18.197 -18.025 38.423 0.00 0.00 SOLV ATOM 17598 H2 TIP3 3868 -19.646 -17.744 37.893 0.00 0.00 SOLV ATOM 17599 OH2 TIP3 3869 -19.057 -31.009 7.772 0.00 0.00 SOLV ATOM 17600 H1 TIP3 3869 -18.671 -31.295 6.891 0.00 0.00 SOLV ATOM 17601 H2 TIP3 3869 -18.384 -31.264 8.398 0.00 0.00 SOLV ATOM 17602 OH2 TIP3 3870 -25.281 -6.409 19.631 0.00 0.00 SOLV ATOM 17603 H1 TIP3 3870 -25.318 -5.464 19.473 0.00 0.00 SOLV ATOM 17604 H2 TIP3 3870 -25.159 -6.870 18.711 0.00 0.00 SOLV ATOM 17605 OH2 TIP3 3871 -27.452 -8.323 11.328 0.00 0.00 SOLV ATOM 17606 H1 TIP3 3871 -26.934 -8.320 10.519 0.00 0.00 SOLV ATOM 17607 H2 TIP3 3871 -28.234 -7.844 11.101 0.00 0.00 SOLV ATOM 17608 OH2 TIP3 3872 -22.460 -8.931 13.251 0.00 0.00 SOLV ATOM 17609 H1 TIP3 3872 -22.589 -9.484 12.497 0.00 0.00 SOLV ATOM 17610 H2 TIP3 3872 -22.731 -7.990 12.942 0.00 0.00 SOLV ATOM 17611 OH2 TIP3 3873 -16.772 -19.261 16.420 0.00 0.00 SOLV ATOM 17612 H1 TIP3 3873 -16.671 -19.526 17.368 0.00 0.00 SOLV ATOM 17613 H2 TIP3 3873 -16.315 -18.410 16.391 0.00 0.00 SOLV ATOM 17614 OH2 TIP3 3874 -2.797 -29.251 39.787 0.00 0.00 SOLV ATOM 17615 H1 TIP3 3874 -3.328 -28.559 40.178 0.00 0.00 SOLV ATOM 17616 H2 TIP3 3874 -3.470 -29.874 39.518 0.00 0.00 SOLV ATOM 17617 OH2 TIP3 3875 -13.965 -10.887 47.623 0.00 0.00 SOLV ATOM 17618 H1 TIP3 3875 -14.293 -11.749 47.815 0.00 0.00 SOLV ATOM 17619 H2 TIP3 3875 -13.138 -11.073 47.119 0.00 0.00 SOLV ATOM 17620 OH2 TIP3 3876 -17.942 -27.090 17.076 0.00 0.00 SOLV ATOM 17621 H1 TIP3 3876 -18.260 -27.591 17.798 0.00 0.00 SOLV ATOM 17622 H2 TIP3 3876 -17.032 -27.195 17.195 0.00 0.00 SOLV ATOM 17623 OH2 TIP3 3877 -8.841 -14.203 55.318 0.00 0.00 SOLV ATOM 17624 H1 TIP3 3877 -8.392 -14.772 54.725 0.00 0.00 SOLV ATOM 17625 H2 TIP3 3877 -8.140 -13.569 55.676 0.00 0.00 SOLV ATOM 17626 OH2 TIP3 3878 -15.704 -26.860 45.633 0.00 0.00 SOLV ATOM 17627 H1 TIP3 3878 -15.902 -26.903 44.661 0.00 0.00 SOLV ATOM 17628 H2 TIP3 3878 -14.787 -26.856 45.621 0.00 0.00 SOLV ATOM 17629 OH2 TIP3 3879 -17.229 -27.154 49.977 0.00 0.00 SOLV ATOM 17630 H1 TIP3 3879 -17.789 -27.239 49.182 0.00 0.00 SOLV ATOM 17631 H2 TIP3 3879 -17.752 -27.522 50.708 0.00 0.00 SOLV ATOM 17632 OH2 TIP3 3880 -8.630 -29.997 9.244 0.00 0.00 SOLV ATOM 17633 H1 TIP3 3880 -8.340 -30.227 8.296 0.00 0.00 SOLV ATOM 17634 H2 TIP3 3880 -9.026 -29.091 9.144 0.00 0.00 SOLV ATOM 17635 OH2 TIP3 3881 -21.957 9.605 8.235 0.00 0.00 SOLV ATOM 17636 H1 TIP3 3881 -22.940 9.631 8.455 0.00 0.00 SOLV ATOM 17637 H2 TIP3 3881 -21.479 9.915 9.036 0.00 0.00 SOLV ATOM 17638 OH2 TIP3 3882 -17.108 -21.153 11.972 0.00 0.00 SOLV ATOM 17639 H1 TIP3 3882 -17.274 -22.077 11.782 0.00 0.00 SOLV ATOM 17640 H2 TIP3 3882 -16.881 -20.827 11.093 0.00 0.00 SOLV ATOM 17641 OH2 TIP3 3883 -26.830 -25.953 27.898 0.00 0.00 SOLV ATOM 17642 H1 TIP3 3883 -25.985 -26.117 28.322 0.00 0.00 SOLV ATOM 17643 H2 TIP3 3883 -27.243 -26.823 27.999 0.00 0.00 SOLV ATOM 17644 OH2 TIP3 3884 -27.837 -28.511 28.056 0.00 0.00 SOLV ATOM 17645 H1 TIP3 3884 -28.550 -28.829 27.524 0.00 0.00 SOLV ATOM 17646 H2 TIP3 3884 -27.780 -29.125 28.812 0.00 0.00 SOLV ATOM 17647 OH2 TIP3 3885 -24.720 -27.969 34.832 0.00 0.00 SOLV ATOM 17648 H1 TIP3 3885 -25.659 -27.729 34.979 0.00 0.00 SOLV ATOM 17649 H2 TIP3 3885 -24.720 -27.876 33.839 0.00 0.00 SOLV ATOM 17650 OH2 TIP3 3886 -17.563 -22.730 27.030 0.00 0.00 SOLV ATOM 17651 H1 TIP3 3886 -17.542 -23.641 27.339 0.00 0.00 SOLV ATOM 17652 H2 TIP3 3886 -17.579 -22.261 27.822 0.00 0.00 SOLV ATOM 17653 OH2 TIP3 3887 -12.854 0.388 46.056 0.00 0.00 SOLV ATOM 17654 H1 TIP3 3887 -13.863 0.597 45.924 0.00 0.00 SOLV ATOM 17655 H2 TIP3 3887 -12.621 0.994 46.758 0.00 0.00 SOLV ATOM 17656 OH2 TIP3 3888 -12.659 -18.385 50.182 0.00 0.00 SOLV ATOM 17657 H1 TIP3 3888 -13.335 -18.580 50.846 0.00 0.00 SOLV ATOM 17658 H2 TIP3 3888 -12.737 -19.152 49.535 0.00 0.00 SOLV ATOM 17659 OH2 TIP3 3889 -8.942 -9.525 53.961 0.00 0.00 SOLV ATOM 17660 H1 TIP3 3889 -9.540 -10.217 53.640 0.00 0.00 SOLV ATOM 17661 H2 TIP3 3889 -8.182 -10.107 54.331 0.00 0.00 SOLV ATOM 17662 OH2 TIP3 3890 -3.784 -11.131 -4.898 0.00 0.00 SOLV ATOM 17663 H1 TIP3 3890 -4.162 -11.492 -5.696 0.00 0.00 SOLV ATOM 17664 H2 TIP3 3890 -3.281 -10.374 -5.154 0.00 0.00 SOLV ATOM 17665 OH2 TIP3 3891 -17.957 -14.099 8.997 0.00 0.00 SOLV ATOM 17666 H1 TIP3 3891 -17.648 -15.014 9.107 0.00 0.00 SOLV ATOM 17667 H2 TIP3 3891 -18.875 -14.155 9.150 0.00 0.00 SOLV ATOM 17668 OH2 TIP3 3892 -24.944 1.526 21.094 0.00 0.00 SOLV ATOM 17669 H1 TIP3 3892 -25.195 1.566 20.151 0.00 0.00 SOLV ATOM 17670 H2 TIP3 3892 -24.084 1.163 21.065 0.00 0.00 SOLV ATOM 17671 OH2 TIP3 3893 -20.524 -13.295 12.065 0.00 0.00 SOLV ATOM 17672 H1 TIP3 3893 -21.320 -13.430 11.506 0.00 0.00 SOLV ATOM 17673 H2 TIP3 3893 -20.172 -12.477 11.722 0.00 0.00 SOLV ATOM 17674 OH2 TIP3 3894 -29.740 -11.350 37.253 0.00 0.00 SOLV ATOM 17675 H1 TIP3 3894 -29.171 -10.613 37.417 0.00 0.00 SOLV ATOM 17676 H2 TIP3 3894 -29.734 -11.811 38.087 0.00 0.00 SOLV ATOM 17677 OH2 TIP3 3895 -7.357 -2.490 39.385 0.00 0.00 SOLV ATOM 17678 H1 TIP3 3895 -8.274 -2.371 39.066 0.00 0.00 SOLV ATOM 17679 H2 TIP3 3895 -7.246 -3.509 39.440 0.00 0.00 SOLV ATOM 17680 OH2 TIP3 3896 -21.793 -7.827 42.981 0.00 0.00 SOLV ATOM 17681 H1 TIP3 3896 -21.613 -8.591 43.553 0.00 0.00 SOLV ATOM 17682 H2 TIP3 3896 -21.247 -7.983 42.203 0.00 0.00 SOLV ATOM 17683 OH2 TIP3 3897 -4.906 -10.247 50.721 0.00 0.00 SOLV ATOM 17684 H1 TIP3 3897 -4.445 -10.600 51.493 0.00 0.00 SOLV ATOM 17685 H2 TIP3 3897 -5.462 -9.575 51.094 0.00 0.00 SOLV ATOM 17686 OH2 TIP3 3898 -1.943 -21.255 43.327 0.00 0.00 SOLV ATOM 17687 H1 TIP3 3898 -2.344 -21.364 42.425 0.00 0.00 SOLV ATOM 17688 H2 TIP3 3898 -1.028 -21.648 43.160 0.00 0.00 SOLV ATOM 17689 OH2 TIP3 3899 -2.155 -9.158 40.929 0.00 0.00 SOLV ATOM 17690 H1 TIP3 3899 -2.165 -9.969 40.392 0.00 0.00 SOLV ATOM 17691 H2 TIP3 3899 -1.673 -9.475 41.663 0.00 0.00 SOLV ATOM 17692 OH2 TIP3 3900 -20.961 -14.135 15.649 0.00 0.00 SOLV ATOM 17693 H1 TIP3 3900 -20.031 -14.348 15.801 0.00 0.00 SOLV ATOM 17694 H2 TIP3 3900 -21.410 -14.648 16.371 0.00 0.00 SOLV ATOM 17695 OH2 TIP3 3901 -27.120 -16.587 16.473 0.00 0.00 SOLV ATOM 17696 H1 TIP3 3901 -27.887 -16.191 16.874 0.00 0.00 SOLV ATOM 17697 H2 TIP3 3901 -27.460 -17.333 15.872 0.00 0.00 SOLV ATOM 17698 OH2 TIP3 3902 -26.604 -4.843 4.568 0.00 0.00 SOLV ATOM 17699 H1 TIP3 3902 -27.564 -5.013 4.437 0.00 0.00 SOLV ATOM 17700 H2 TIP3 3902 -26.114 -5.401 3.866 0.00 0.00 SOLV ATOM 17701 OH2 TIP3 3903 -17.960 -23.481 37.654 0.00 0.00 SOLV ATOM 17702 H1 TIP3 3903 -18.510 -23.099 38.332 0.00 0.00 SOLV ATOM 17703 H2 TIP3 3903 -17.644 -24.284 38.112 0.00 0.00 SOLV ATOM 17704 OH2 TIP3 3904 -23.158 -9.517 35.855 0.00 0.00 SOLV ATOM 17705 H1 TIP3 3904 -22.784 -8.768 36.323 0.00 0.00 SOLV ATOM 17706 H2 TIP3 3904 -24.066 -9.264 35.701 0.00 0.00 SOLV ATOM 17707 OH2 TIP3 3905 -17.280 -11.802 48.757 0.00 0.00 SOLV ATOM 17708 H1 TIP3 3905 -17.198 -12.133 47.861 0.00 0.00 SOLV ATOM 17709 H2 TIP3 3905 -17.059 -12.562 49.354 0.00 0.00 SOLV ATOM 17710 OH2 TIP3 3906 -2.141 -24.582 36.401 0.00 0.00 SOLV ATOM 17711 H1 TIP3 3906 -2.870 -24.405 35.818 0.00 0.00 SOLV ATOM 17712 H2 TIP3 3906 -2.666 -24.922 37.205 0.00 0.00 SOLV ATOM 17713 OH2 TIP3 3907 -11.555 -14.405 39.764 0.00 0.00 SOLV ATOM 17714 H1 TIP3 3907 -11.802 -13.785 39.082 0.00 0.00 SOLV ATOM 17715 H2 TIP3 3907 -11.289 -15.243 39.261 0.00 0.00 SOLV ATOM 17716 OH2 TIP3 3908 -27.296 -14.779 8.755 0.00 0.00 SOLV ATOM 17717 H1 TIP3 3908 -28.201 -15.101 8.825 0.00 0.00 SOLV ATOM 17718 H2 TIP3 3908 -27.435 -13.955 8.418 0.00 0.00 SOLV ATOM 17719 OH2 TIP3 3909 -6.561 5.788 29.572 0.00 0.00 SOLV ATOM 17720 H1 TIP3 3909 -6.723 6.707 29.870 0.00 0.00 SOLV ATOM 17721 H2 TIP3 3909 -6.661 5.892 28.637 0.00 0.00 SOLV ATOM 17722 OH2 TIP3 3910 -26.278 -17.479 30.719 0.00 0.00 SOLV ATOM 17723 H1 TIP3 3910 -26.073 -17.614 29.797 0.00 0.00 SOLV ATOM 17724 H2 TIP3 3910 -26.063 -16.545 30.898 0.00 0.00 SOLV ATOM 17725 OH2 TIP3 3911 -20.667 -32.105 19.152 0.00 0.00 SOLV ATOM 17726 H1 TIP3 3911 -21.373 -32.503 18.609 0.00 0.00 SOLV ATOM 17727 H2 TIP3 3911 -20.317 -31.495 18.525 0.00 0.00 SOLV ATOM 17728 OH2 TIP3 3912 4.963 5.361 39.994 0.00 0.00 SOLV ATOM 17729 H1 TIP3 3912 4.557 6.228 40.161 0.00 0.00 SOLV ATOM 17730 H2 TIP3 3912 4.953 5.022 40.887 0.00 0.00 SOLV ATOM 17731 OH2 TIP3 3913 -3.660 -2.066 37.479 0.00 0.00 SOLV ATOM 17732 H1 TIP3 3913 -3.556 -2.370 36.534 0.00 0.00 SOLV ATOM 17733 H2 TIP3 3913 -3.485 -2.897 37.930 0.00 0.00 SOLV ATOM 17734 OH2 TIP3 3914 -24.343 -10.539 14.392 0.00 0.00 SOLV ATOM 17735 H1 TIP3 3914 -23.652 -11.117 14.767 0.00 0.00 SOLV ATOM 17736 H2 TIP3 3914 -23.867 -9.761 14.120 0.00 0.00 SOLV ATOM 17737 OH2 TIP3 3915 -24.963 -18.360 8.848 0.00 0.00 SOLV ATOM 17738 H1 TIP3 3915 -24.743 -19.258 8.943 0.00 0.00 SOLV ATOM 17739 H2 TIP3 3915 -25.109 -18.138 9.807 0.00 0.00 SOLV ATOM 17740 OH2 TIP3 3916 -28.323 3.789 4.155 0.00 0.00 SOLV ATOM 17741 H1 TIP3 3916 -27.485 3.307 3.899 0.00 0.00 SOLV ATOM 17742 H2 TIP3 3916 -28.718 3.344 4.868 0.00 0.00 SOLV ATOM 17743 OH2 TIP3 3917 0.879 -7.381 -6.076 0.00 0.00 SOLV ATOM 17744 H1 TIP3 3917 0.884 -8.255 -6.513 0.00 0.00 SOLV ATOM 17745 H2 TIP3 3917 1.737 -7.009 -6.205 0.00 0.00 SOLV ATOM 17746 OH2 TIP3 3918 -12.691 5.246 34.378 0.00 0.00 SOLV ATOM 17747 H1 TIP3 3918 -12.114 5.025 33.660 0.00 0.00 SOLV ATOM 17748 H2 TIP3 3918 -12.835 4.385 34.788 0.00 0.00 SOLV ATOM 17749 OH2 TIP3 3919 -22.261 -20.379 26.666 0.00 0.00 SOLV ATOM 17750 H1 TIP3 3919 -23.112 -20.857 26.603 0.00 0.00 SOLV ATOM 17751 H2 TIP3 3919 -21.532 -21.007 26.641 0.00 0.00 SOLV ATOM 17752 OH2 TIP3 3920 -30.503 4.425 25.313 0.00 0.00 SOLV ATOM 17753 H1 TIP3 3920 -30.233 3.511 25.047 0.00 0.00 SOLV ATOM 17754 H2 TIP3 3920 -31.268 4.674 24.742 0.00 0.00 SOLV ATOM 17755 OH2 TIP3 3921 -18.825 -14.785 38.726 0.00 0.00 SOLV ATOM 17756 H1 TIP3 3921 -18.892 -14.907 39.696 0.00 0.00 SOLV ATOM 17757 H2 TIP3 3921 -19.032 -15.712 38.440 0.00 0.00 SOLV ATOM 17758 OH2 TIP3 3922 -18.265 1.349 41.373 0.00 0.00 SOLV ATOM 17759 H1 TIP3 3922 -19.090 1.526 41.865 0.00 0.00 SOLV ATOM 17760 H2 TIP3 3922 -17.695 1.015 42.111 0.00 0.00 SOLV ATOM 17761 OH2 TIP3 3923 -3.784 -2.758 45.177 0.00 0.00 SOLV ATOM 17762 H1 TIP3 3923 -2.957 -3.067 44.821 0.00 0.00 SOLV ATOM 17763 H2 TIP3 3923 -3.522 -2.328 45.984 0.00 0.00 SOLV ATOM 17764 OH2 TIP3 3924 -19.106 -32.760 23.424 0.00 0.00 SOLV ATOM 17765 H1 TIP3 3924 -19.684 -32.148 22.936 0.00 0.00 SOLV ATOM 17766 H2 TIP3 3924 -19.181 -33.549 22.960 0.00 0.00 SOLV ATOM 17767 OH2 TIP3 3925 -31.657 -7.244 26.009 0.00 0.00 SOLV ATOM 17768 H1 TIP3 3925 -31.047 -6.868 26.643 0.00 0.00 SOLV ATOM 17769 H2 TIP3 3925 -31.251 -8.161 25.944 0.00 0.00 SOLV ATOM 17770 OH2 TIP3 3926 -16.631 6.068 33.156 0.00 0.00 SOLV ATOM 17771 H1 TIP3 3926 -17.191 6.550 32.554 0.00 0.00 SOLV ATOM 17772 H2 TIP3 3926 -15.776 6.465 32.872 0.00 0.00 SOLV ATOM 17773 OH2 TIP3 3927 -26.399 0.673 27.094 0.00 0.00 SOLV ATOM 17774 H1 TIP3 3927 -27.228 1.225 27.170 0.00 0.00 SOLV ATOM 17775 H2 TIP3 3927 -26.545 0.311 26.198 0.00 0.00 SOLV ATOM 17776 OH2 TIP3 3928 -23.647 0.424 27.225 0.00 0.00 SOLV ATOM 17777 H1 TIP3 3928 -23.739 0.166 28.141 0.00 0.00 SOLV ATOM 17778 H2 TIP3 3928 -24.598 0.539 26.943 0.00 0.00 SOLV ATOM 17779 OH2 TIP3 3929 -27.660 -7.722 21.130 0.00 0.00 SOLV ATOM 17780 H1 TIP3 3929 -28.274 -7.724 20.398 0.00 0.00 SOLV ATOM 17781 H2 TIP3 3929 -26.798 -7.540 20.672 0.00 0.00 SOLV ATOM 17782 OH2 TIP3 3930 -21.810 -19.775 35.640 0.00 0.00 SOLV ATOM 17783 H1 TIP3 3930 -21.339 -20.268 36.335 0.00 0.00 SOLV ATOM 17784 H2 TIP3 3930 -22.625 -19.514 36.134 0.00 0.00 SOLV ATOM 17785 OH2 TIP3 3931 -18.162 10.588 -2.464 0.00 0.00 SOLV ATOM 17786 H1 TIP3 3931 -18.001 9.974 -3.202 0.00 0.00 SOLV ATOM 17787 H2 TIP3 3931 -18.007 10.017 -1.683 0.00 0.00 SOLV ATOM 17788 OH2 TIP3 3932 0.793 -14.521 -8.188 0.00 0.00 SOLV ATOM 17789 H1 TIP3 3932 1.652 -14.860 -8.414 0.00 0.00 SOLV ATOM 17790 H2 TIP3 3932 0.319 -14.593 -9.025 0.00 0.00 SOLV ATOM 17791 OH2 TIP3 3933 -15.863 3.403 33.919 0.00 0.00 SOLV ATOM 17792 H1 TIP3 3933 -15.105 3.395 34.530 0.00 0.00 SOLV ATOM 17793 H2 TIP3 3933 -15.995 4.335 33.743 0.00 0.00 SOLV ATOM 17794 OH2 TIP3 3934 -26.249 0.575 23.416 0.00 0.00 SOLV ATOM 17795 H1 TIP3 3934 -25.699 -0.169 23.643 0.00 0.00 SOLV ATOM 17796 H2 TIP3 3934 -25.719 1.052 22.683 0.00 0.00 SOLV ATOM 17797 OH2 TIP3 3935 -24.415 6.024 30.167 0.00 0.00 SOLV ATOM 17798 H1 TIP3 3935 -24.669 6.705 30.787 0.00 0.00 SOLV ATOM 17799 H2 TIP3 3935 -24.964 6.370 29.419 0.00 0.00 SOLV ATOM 17800 OH2 TIP3 3936 -12.607 -14.535 42.520 0.00 0.00 SOLV ATOM 17801 H1 TIP3 3936 -12.122 -14.563 41.669 0.00 0.00 SOLV ATOM 17802 H2 TIP3 3936 -13.209 -13.769 42.431 0.00 0.00 SOLV ATOM 17803 OH2 TIP3 3937 -10.962 1.838 43.973 0.00 0.00 SOLV ATOM 17804 H1 TIP3 3937 -11.619 1.525 44.595 0.00 0.00 SOLV ATOM 17805 H2 TIP3 3937 -11.500 2.095 43.188 0.00 0.00 SOLV ATOM 17806 OH2 TIP3 3938 -19.484 -1.476 40.750 0.00 0.00 SOLV ATOM 17807 H1 TIP3 3938 -18.854 -2.205 40.639 0.00 0.00 SOLV ATOM 17808 H2 TIP3 3938 -18.851 -0.744 40.826 0.00 0.00 SOLV ATOM 17809 OH2 TIP3 3939 -20.983 1.413 35.350 0.00 0.00 SOLV ATOM 17810 H1 TIP3 3939 -20.711 1.492 34.420 0.00 0.00 SOLV ATOM 17811 H2 TIP3 3939 -21.509 0.580 35.397 0.00 0.00 SOLV ATOM 17812 OH2 TIP3 3940 -11.368 12.103 40.563 0.00 0.00 SOLV ATOM 17813 H1 TIP3 3940 -12.014 12.858 40.724 0.00 0.00 SOLV ATOM 17814 H2 TIP3 3940 -12.047 11.451 40.459 0.00 0.00 SOLV ATOM 17815 OH2 TIP3 3941 -19.593 -2.811 43.067 0.00 0.00 SOLV ATOM 17816 H1 TIP3 3941 -19.577 -3.715 43.500 0.00 0.00 SOLV ATOM 17817 H2 TIP3 3941 -19.948 -2.915 42.160 0.00 0.00 SOLV ATOM 17818 OH2 TIP3 3942 1.214 -29.307 37.361 0.00 0.00 SOLV ATOM 17819 H1 TIP3 3942 2.001 -29.814 37.515 0.00 0.00 SOLV ATOM 17820 H2 TIP3 3942 0.941 -29.214 38.264 0.00 0.00 SOLV ATOM 17821 OH2 TIP3 3943 -19.254 5.046 31.085 0.00 0.00 SOLV ATOM 17822 H1 TIP3 3943 -20.200 5.135 30.719 0.00 0.00 SOLV ATOM 17823 H2 TIP3 3943 -18.723 4.705 30.370 0.00 0.00 SOLV ATOM 17824 OH2 TIP3 3944 -11.900 6.746 29.549 0.00 0.00 SOLV ATOM 17825 H1 TIP3 3944 -11.151 7.317 29.711 0.00 0.00 SOLV ATOM 17826 H2 TIP3 3944 -12.151 7.006 28.623 0.00 0.00 SOLV ATOM 17827 OH2 TIP3 3945 -32.827 -7.221 23.238 0.00 0.00 SOLV ATOM 17828 H1 TIP3 3945 -32.340 -7.032 24.063 0.00 0.00 SOLV ATOM 17829 H2 TIP3 3945 -33.409 -6.544 23.238 0.00 0.00 SOLV ATOM 17830 OH2 TIP3 3946 -9.840 9.715 37.809 0.00 0.00 SOLV ATOM 17831 H1 TIP3 3946 -9.842 8.917 37.222 0.00 0.00 SOLV ATOM 17832 H2 TIP3 3946 -9.853 9.314 38.687 0.00 0.00 SOLV ATOM 17833 OH2 TIP3 3947 -12.013 2.955 46.806 0.00 0.00 SOLV ATOM 17834 H1 TIP3 3947 -11.336 3.714 46.674 0.00 0.00 SOLV ATOM 17835 H2 TIP3 3947 -12.872 3.386 47.094 0.00 0.00 SOLV ATOM 17836 OH2 TIP3 3948 -14.071 -46.058 18.970 0.00 0.00 SOLV ATOM 17837 H1 TIP3 3948 -13.530 -46.669 18.464 0.00 0.00 SOLV ATOM 17838 H2 TIP3 3948 -14.750 -46.632 19.372 0.00 0.00 SOLV ATOM 17839 OH2 TIP3 3949 -32.678 13.006 29.679 0.00 0.00 SOLV ATOM 17840 H1 TIP3 3949 -32.933 12.423 30.335 0.00 0.00 SOLV ATOM 17841 H2 TIP3 3949 -33.392 12.835 29.089 0.00 0.00 SOLV ATOM 17842 OH2 TIP3 3950 -25.735 6.544 25.860 0.00 0.00 SOLV ATOM 17843 H1 TIP3 3950 -26.639 6.150 25.809 0.00 0.00 SOLV ATOM 17844 H2 TIP3 3950 -25.487 6.588 24.893 0.00 0.00 SOLV ATOM 17845 OH2 TIP3 3951 -11.926 13.669 12.209 0.00 0.00 SOLV ATOM 17846 H1 TIP3 3951 -12.676 13.616 11.565 0.00 0.00 SOLV ATOM 17847 H2 TIP3 3951 -12.412 13.920 13.019 0.00 0.00 SOLV ATOM 17848 OH2 TIP3 3952 -13.016 8.318 45.095 0.00 0.00 SOLV ATOM 17849 H1 TIP3 3952 -12.555 8.564 44.230 0.00 0.00 SOLV ATOM 17850 H2 TIP3 3952 -13.473 9.091 45.339 0.00 0.00 SOLV ATOM 17851 OH2 TIP3 3953 -27.308 0.965 6.562 0.00 0.00 SOLV ATOM 17852 H1 TIP3 3953 -28.120 0.643 7.015 0.00 0.00 SOLV ATOM 17853 H2 TIP3 3953 -26.755 1.340 7.270 0.00 0.00 SOLV ATOM 17854 OH2 TIP3 3954 -5.970 -38.953 8.393 0.00 0.00 SOLV ATOM 17855 H1 TIP3 3954 -5.788 -38.882 9.339 0.00 0.00 SOLV ATOM 17856 H2 TIP3 3954 -6.901 -39.210 8.366 0.00 0.00 SOLV ATOM 17857 OH2 TIP3 3955 -7.747 -30.593 28.909 0.00 0.00 SOLV ATOM 17858 H1 TIP3 3955 -7.793 -29.764 28.319 0.00 0.00 SOLV ATOM 17859 H2 TIP3 3955 -7.178 -30.354 29.649 0.00 0.00 SOLV ATOM 17860 OH2 TIP3 3956 -25.271 8.068 31.635 0.00 0.00 SOLV ATOM 17861 H1 TIP3 3956 -24.789 7.618 32.378 0.00 0.00 SOLV ATOM 17862 H2 TIP3 3956 -25.228 8.987 31.787 0.00 0.00 SOLV ATOM 17863 OH2 TIP3 3957 -20.403 -34.368 8.482 0.00 0.00 SOLV ATOM 17864 H1 TIP3 3957 -19.479 -34.203 8.834 0.00 0.00 SOLV ATOM 17865 H2 TIP3 3957 -20.853 -34.910 9.140 0.00 0.00 SOLV ATOM 17866 OH2 TIP3 3958 -22.662 -38.030 17.538 0.00 0.00 SOLV ATOM 17867 H1 TIP3 3958 -21.912 -38.437 17.951 0.00 0.00 SOLV ATOM 17868 H2 TIP3 3958 -22.689 -38.409 16.636 0.00 0.00 SOLV ATOM 17869 OH2 TIP3 3959 -22.845 17.424 18.449 0.00 0.00 SOLV ATOM 17870 H1 TIP3 3959 -22.121 17.656 17.869 0.00 0.00 SOLV ATOM 17871 H2 TIP3 3959 -22.740 18.016 19.224 0.00 0.00 SOLV ATOM 17872 OH2 TIP3 3960 -16.182 9.662 27.777 0.00 0.00 SOLV ATOM 17873 H1 TIP3 3960 -15.895 10.549 27.647 0.00 0.00 SOLV ATOM 17874 H2 TIP3 3960 -17.050 9.773 28.244 0.00 0.00 SOLV ATOM 17875 OH2 TIP3 3961 -19.336 -37.200 20.206 0.00 0.00 SOLV ATOM 17876 H1 TIP3 3961 -19.556 -36.476 19.639 0.00 0.00 SOLV ATOM 17877 H2 TIP3 3961 -18.464 -37.468 19.892 0.00 0.00 SOLV ATOM 17878 OH2 TIP3 3962 -12.697 -23.013 41.473 0.00 0.00 SOLV ATOM 17879 H1 TIP3 3962 -12.785 -22.029 41.473 0.00 0.00 SOLV ATOM 17880 H2 TIP3 3962 -11.734 -23.020 41.706 0.00 0.00 SOLV ATOM 17881 OH2 TIP3 3963 -12.134 9.849 30.497 0.00 0.00 SOLV ATOM 17882 H1 TIP3 3963 -13.108 9.590 30.205 0.00 0.00 SOLV ATOM 17883 H2 TIP3 3963 -11.714 8.978 30.798 0.00 0.00 SOLV ATOM 17884 OH2 TIP3 3964 -2.003 14.023 36.055 0.00 0.00 SOLV ATOM 17885 H1 TIP3 3964 -2.020 13.822 37.016 0.00 0.00 SOLV ATOM 17886 H2 TIP3 3964 -2.592 13.367 35.665 0.00 0.00 SOLV ATOM 17887 OH2 TIP3 3965 -23.183 -36.240 14.842 0.00 0.00 SOLV ATOM 17888 H1 TIP3 3965 -22.894 -36.340 15.808 0.00 0.00 SOLV ATOM 17889 H2 TIP3 3965 -23.840 -35.517 14.866 0.00 0.00 SOLV ATOM 17890 OH2 TIP3 3966 -29.812 8.434 23.784 0.00 0.00 SOLV ATOM 17891 H1 TIP3 3966 -29.274 9.247 23.807 0.00 0.00 SOLV ATOM 17892 H2 TIP3 3966 -29.927 8.290 24.753 0.00 0.00 SOLV ATOM 17893 OH2 TIP3 3967 2.114 15.141 12.243 0.00 0.00 SOLV ATOM 17894 H1 TIP3 3967 2.788 14.633 12.771 0.00 0.00 SOLV ATOM 17895 H2 TIP3 3967 2.398 15.082 11.299 0.00 0.00 SOLV ATOM 17896 OH2 TIP3 3968 -21.662 -39.156 14.944 0.00 0.00 SOLV ATOM 17897 H1 TIP3 3968 -21.464 -39.789 14.208 0.00 0.00 SOLV ATOM 17898 H2 TIP3 3968 -20.774 -38.867 15.248 0.00 0.00 SOLV ATOM 17899 OH2 TIP3 3969 -12.385 -44.272 23.842 0.00 0.00 SOLV ATOM 17900 H1 TIP3 3969 -12.775 -45.019 23.267 0.00 0.00 SOLV ATOM 17901 H2 TIP3 3969 -11.544 -44.164 23.371 0.00 0.00 SOLV ATOM 17902 OH2 TIP3 3970 -19.834 -33.178 33.742 0.00 0.00 SOLV ATOM 17903 H1 TIP3 3970 -20.766 -32.995 34.105 0.00 0.00 SOLV ATOM 17904 H2 TIP3 3970 -19.246 -32.895 34.479 0.00 0.00 SOLV ATOM 17905 OH2 TIP3 3971 -11.432 -38.476 38.735 0.00 0.00 SOLV ATOM 17906 H1 TIP3 3971 -11.240 -38.233 37.825 0.00 0.00 SOLV ATOM 17907 H2 TIP3 3971 -11.952 -39.308 38.689 0.00 0.00 SOLV ATOM 17908 OH2 TIP3 3972 -21.621 15.117 26.747 0.00 0.00 SOLV ATOM 17909 H1 TIP3 3972 -22.544 15.442 26.738 0.00 0.00 SOLV ATOM 17910 H2 TIP3 3972 -21.631 14.310 27.333 0.00 0.00 SOLV ATOM 17911 OH2 TIP3 3973 -13.437 3.100 38.523 0.00 0.00 SOLV ATOM 17912 H1 TIP3 3973 -13.446 2.116 38.758 0.00 0.00 SOLV ATOM 17913 H2 TIP3 3973 -14.450 3.198 38.513 0.00 0.00 SOLV ATOM 17914 OH2 TIP3 3974 -12.988 -43.434 17.009 0.00 0.00 SOLV ATOM 17915 H1 TIP3 3974 -12.606 -44.312 17.108 0.00 0.00 SOLV ATOM 17916 H2 TIP3 3974 -12.670 -43.152 16.133 0.00 0.00 SOLV ATOM 17917 OH2 TIP3 3975 -21.507 11.474 13.840 0.00 0.00 SOLV ATOM 17918 H1 TIP3 3975 -21.029 12.343 13.798 0.00 0.00 SOLV ATOM 17919 H2 TIP3 3975 -22.411 11.771 13.969 0.00 0.00 SOLV ATOM 17920 OH2 TIP3 3976 -15.669 -39.120 11.799 0.00 0.00 SOLV ATOM 17921 H1 TIP3 3976 -15.997 -39.588 10.972 0.00 0.00 SOLV ATOM 17922 H2 TIP3 3976 -15.674 -39.861 12.463 0.00 0.00 SOLV ATOM 17923 OH2 TIP3 3977 -27.113 16.251 14.087 0.00 0.00 SOLV ATOM 17924 H1 TIP3 3977 -27.702 16.175 14.856 0.00 0.00 SOLV ATOM 17925 H2 TIP3 3977 -26.469 15.570 14.351 0.00 0.00 SOLV ATOM 17926 OH2 TIP3 3978 -26.297 -4.199 28.255 0.00 0.00 SOLV ATOM 17927 H1 TIP3 3978 -25.980 -4.983 28.746 0.00 0.00 SOLV ATOM 17928 H2 TIP3 3978 -25.663 -3.514 28.567 0.00 0.00 SOLV ATOM 17929 OH2 TIP3 3979 -17.089 -32.110 44.011 0.00 0.00 SOLV ATOM 17930 H1 TIP3 3979 -16.918 -32.804 43.382 0.00 0.00 SOLV ATOM 17931 H2 TIP3 3979 -17.233 -32.685 44.754 0.00 0.00 SOLV ATOM 17932 OH2 TIP3 3980 -8.619 -35.189 40.460 0.00 0.00 SOLV ATOM 17933 H1 TIP3 3980 -8.234 -34.332 40.505 0.00 0.00 SOLV ATOM 17934 H2 TIP3 3980 -8.787 -35.361 41.384 0.00 0.00 SOLV ATOM 17935 OH2 TIP3 3981 -20.247 4.300 -11.877 0.00 0.00 SOLV ATOM 17936 H1 TIP3 3981 -20.062 5.223 -11.813 0.00 0.00 SOLV ATOM 17937 H2 TIP3 3981 -21.211 4.233 -11.929 0.00 0.00 SOLV ATOM 17938 OH2 TIP3 3982 -22.489 -11.857 15.754 0.00 0.00 SOLV ATOM 17939 H1 TIP3 3982 -21.930 -12.693 15.571 0.00 0.00 SOLV ATOM 17940 H2 TIP3 3982 -22.793 -12.009 16.725 0.00 0.00 SOLV ATOM 17941 OH2 TIP3 3983 -8.987 -36.181 9.142 0.00 0.00 SOLV ATOM 17942 H1 TIP3 3983 -8.540 -35.480 9.675 0.00 0.00 SOLV ATOM 17943 H2 TIP3 3983 -9.299 -36.823 9.774 0.00 0.00 SOLV ATOM 17944 OH2 TIP3 3984 3.657 -23.654 16.210 0.00 0.00 SOLV ATOM 17945 H1 TIP3 3984 3.579 -23.195 15.427 0.00 0.00 SOLV ATOM 17946 H2 TIP3 3984 4.612 -23.762 16.255 0.00 0.00 SOLV ATOM 17947 OH2 TIP3 3985 3.377 -26.062 9.444 0.00 0.00 SOLV ATOM 17948 H1 TIP3 3985 3.087 -25.890 8.541 0.00 0.00 SOLV ATOM 17949 H2 TIP3 3985 4.203 -25.564 9.484 0.00 0.00 SOLV ATOM 17950 OH2 TIP3 3986 -0.331 -35.574 42.359 0.00 0.00 SOLV ATOM 17951 H1 TIP3 3986 -0.257 -36.029 43.201 0.00 0.00 SOLV ATOM 17952 H2 TIP3 3986 0.415 -35.950 41.882 0.00 0.00 SOLV ATOM 17953 OH2 TIP3 3987 -14.573 -42.259 26.724 0.00 0.00 SOLV ATOM 17954 H1 TIP3 3987 -15.117 -42.835 27.285 0.00 0.00 SOLV ATOM 17955 H2 TIP3 3987 -14.735 -41.402 27.139 0.00 0.00 SOLV ATOM 17956 OH2 TIP3 3988 -2.786 -12.593 43.011 0.00 0.00 SOLV ATOM 17957 H1 TIP3 3988 -2.694 -12.517 43.968 0.00 0.00 SOLV ATOM 17958 H2 TIP3 3988 -2.335 -13.386 42.875 0.00 0.00 SOLV ATOM 17959 OH2 TIP3 3989 -22.450 -20.977 30.558 0.00 0.00 SOLV ATOM 17960 H1 TIP3 3989 -23.201 -21.508 30.103 0.00 0.00 SOLV ATOM 17961 H2 TIP3 3989 -23.017 -20.288 31.031 0.00 0.00 SOLV ATOM 17962 OH2 TIP3 3990 -20.156 -38.177 35.076 0.00 0.00 SOLV ATOM 17963 H1 TIP3 3990 -20.739 -38.923 35.215 0.00 0.00 SOLV ATOM 17964 H2 TIP3 3990 -20.594 -37.447 35.503 0.00 0.00 SOLV ATOM 17965 OH2 TIP3 3991 -10.040 -34.317 44.872 0.00 0.00 SOLV ATOM 17966 H1 TIP3 3991 -9.255 -34.605 44.331 0.00 0.00 SOLV ATOM 17967 H2 TIP3 3991 -10.743 -34.140 44.200 0.00 0.00 SOLV ATOM 17968 OH2 TIP3 3992 -13.955 -20.197 15.828 0.00 0.00 SOLV ATOM 17969 H1 TIP3 3992 -14.617 -20.860 15.511 0.00 0.00 SOLV ATOM 17970 H2 TIP3 3992 -14.511 -19.475 16.130 0.00 0.00 SOLV ATOM 17971 OH2 TIP3 3993 -9.398 -29.819 12.213 0.00 0.00 SOLV ATOM 17972 H1 TIP3 3993 -9.473 -30.222 13.036 0.00 0.00 SOLV ATOM 17973 H2 TIP3 3993 -9.359 -30.545 11.585 0.00 0.00 SOLV ATOM 17974 OH2 TIP3 3994 -1.204 -32.886 33.461 0.00 0.00 SOLV ATOM 17975 H1 TIP3 3994 -0.470 -33.531 33.251 0.00 0.00 SOLV ATOM 17976 H2 TIP3 3994 -1.124 -32.128 32.798 0.00 0.00 SOLV ATOM 17977 OH2 TIP3 3995 -17.542 -37.491 35.715 0.00 0.00 SOLV ATOM 17978 H1 TIP3 3995 -17.166 -38.124 35.096 0.00 0.00 SOLV ATOM 17979 H2 TIP3 3995 -18.517 -37.681 35.702 0.00 0.00 SOLV ATOM 17980 OH2 TIP3 3996 -8.485 -32.794 33.892 0.00 0.00 SOLV ATOM 17981 H1 TIP3 3996 -8.178 -33.094 34.711 0.00 0.00 SOLV ATOM 17982 H2 TIP3 3996 -8.399 -31.845 33.951 0.00 0.00 SOLV ATOM 17983 OH2 TIP3 3997 -9.471 -42.787 22.664 0.00 0.00 SOLV ATOM 17984 H1 TIP3 3997 -9.014 -43.649 22.782 0.00 0.00 SOLV ATOM 17985 H2 TIP3 3997 -9.832 -42.887 21.763 0.00 0.00 SOLV ATOM 17986 OH2 TIP3 3998 -21.068 -18.403 38.210 0.00 0.00 SOLV ATOM 17987 H1 TIP3 3998 -21.133 -18.714 39.066 0.00 0.00 SOLV ATOM 17988 H2 TIP3 3998 -21.870 -18.648 37.764 0.00 0.00 SOLV ATOM 17989 OH2 TIP3 3999 -19.297 -31.991 41.569 0.00 0.00 SOLV ATOM 17990 H1 TIP3 3999 -18.953 -32.918 41.490 0.00 0.00 SOLV ATOM 17991 H2 TIP3 3999 -18.657 -31.490 41.109 0.00 0.00 SOLV ATOM 17992 OH2 TIP3 4000 -23.732 -21.421 21.362 0.00 0.00 SOLV ATOM 17993 H1 TIP3 4000 -24.196 -22.103 21.848 0.00 0.00 SOLV ATOM 17994 H2 TIP3 4000 -22.960 -21.998 21.140 0.00 0.00 SOLV ATOM 17995 OH2 TIP3 4001 7.254 -6.000 -10.971 0.00 0.00 SOLV ATOM 17996 H1 TIP3 4001 6.726 -6.635 -11.481 0.00 0.00 SOLV ATOM 17997 H2 TIP3 4001 8.003 -5.888 -11.592 0.00 0.00 SOLV ATOM 17998 OH2 TIP3 4002 0.643 -10.279 40.389 0.00 0.00 SOLV ATOM 17999 H1 TIP3 4002 1.031 -11.099 40.071 0.00 0.00 SOLV ATOM 18000 H2 TIP3 4002 0.140 -10.518 41.231 0.00 0.00 SOLV ATOM 18001 OH2 TIP3 4003 -22.059 -25.543 38.320 0.00 0.00 SOLV ATOM 18002 H1 TIP3 4003 -22.658 -24.780 38.035 0.00 0.00 SOLV ATOM 18003 H2 TIP3 4003 -21.697 -25.856 37.482 0.00 0.00 SOLV ATOM 18004 OH2 TIP3 4004 -22.605 -33.534 21.635 0.00 0.00 SOLV ATOM 18005 H1 TIP3 4004 -21.751 -34.012 21.486 0.00 0.00 SOLV ATOM 18006 H2 TIP3 4004 -22.957 -33.900 22.445 0.00 0.00 SOLV ATOM 18007 OH2 TIP3 4005 -14.773 -38.871 35.263 0.00 0.00 SOLV ATOM 18008 H1 TIP3 4005 -14.964 -37.980 35.080 0.00 0.00 SOLV ATOM 18009 H2 TIP3 4005 -13.978 -39.012 34.774 0.00 0.00 SOLV ATOM 18010 OH2 TIP3 4006 -15.132 -39.137 38.475 0.00 0.00 SOLV ATOM 18011 H1 TIP3 4006 -15.359 -38.497 37.856 0.00 0.00 SOLV ATOM 18012 H2 TIP3 4006 -15.565 -38.850 39.334 0.00 0.00 SOLV ATOM 18013 OH2 TIP3 4007 -9.944 -19.312 52.286 0.00 0.00 SOLV ATOM 18014 H1 TIP3 4007 -10.682 -19.090 52.832 0.00 0.00 SOLV ATOM 18015 H2 TIP3 4007 -10.364 -19.884 51.588 0.00 0.00 SOLV ATOM 18016 OH2 TIP3 4008 -4.394 -19.990 50.252 0.00 0.00 SOLV ATOM 18017 H1 TIP3 4008 -3.478 -20.374 50.236 0.00 0.00 SOLV ATOM 18018 H2 TIP3 4008 -5.065 -20.643 50.599 0.00 0.00 SOLV ATOM 18019 OH2 TIP3 4009 -24.114 -25.151 8.982 0.00 0.00 SOLV ATOM 18020 H1 TIP3 4009 -23.274 -24.875 8.462 0.00 0.00 SOLV ATOM 18021 H2 TIP3 4009 -24.749 -24.492 8.670 0.00 0.00 SOLV ATOM 18022 OH2 TIP3 4010 -20.579 -40.489 21.990 0.00 0.00 SOLV ATOM 18023 H1 TIP3 4010 -20.278 -40.750 22.861 0.00 0.00 SOLV ATOM 18024 H2 TIP3 4010 -21.085 -39.715 22.180 0.00 0.00 SOLV ATOM 18025 OH2 TIP3 4011 -5.866 -34.101 30.365 0.00 0.00 SOLV ATOM 18026 H1 TIP3 4011 -5.874 -34.151 31.314 0.00 0.00 SOLV ATOM 18027 H2 TIP3 4011 -5.800 -35.051 30.025 0.00 0.00 SOLV ATOM 18028 OH2 TIP3 4012 -20.435 -21.641 19.560 0.00 0.00 SOLV ATOM 18029 H1 TIP3 4012 -19.724 -22.320 19.531 0.00 0.00 SOLV ATOM 18030 H2 TIP3 4012 -21.007 -21.944 20.325 0.00 0.00 SOLV ATOM 18031 OH2 TIP3 4013 6.895 -3.209 36.727 0.00 0.00 SOLV ATOM 18032 H1 TIP3 4013 5.929 -3.333 36.896 0.00 0.00 SOLV ATOM 18033 H2 TIP3 4013 7.126 -3.958 36.132 0.00 0.00 SOLV ATOM 18034 OH2 TIP3 4014 -22.094 -38.315 22.513 0.00 0.00 SOLV ATOM 18035 H1 TIP3 4014 -22.480 -37.805 21.802 0.00 0.00 SOLV ATOM 18036 H2 TIP3 4014 -22.727 -39.004 22.691 0.00 0.00 SOLV ATOM 18037 OH2 TIP3 4015 -5.012 -30.510 42.456 0.00 0.00 SOLV ATOM 18038 H1 TIP3 4015 -5.748 -30.110 42.950 0.00 0.00 SOLV ATOM 18039 H2 TIP3 4015 -4.251 -30.311 43.086 0.00 0.00 SOLV ATOM 18040 OH2 TIP3 4016 -15.508 -29.174 47.833 0.00 0.00 SOLV ATOM 18041 H1 TIP3 4016 -15.778 -28.669 48.707 0.00 0.00 SOLV ATOM 18042 H2 TIP3 4016 -15.557 -28.450 47.191 0.00 0.00 SOLV ATOM 18043 OH2 TIP3 4017 -12.438 -30.038 18.807 0.00 0.00 SOLV ATOM 18044 H1 TIP3 4017 -12.876 -30.031 17.980 0.00 0.00 SOLV ATOM 18045 H2 TIP3 4017 -11.604 -30.465 18.686 0.00 0.00 SOLV ATOM 18046 OH2 TIP3 4018 -5.035 -28.321 30.990 0.00 0.00 SOLV ATOM 18047 H1 TIP3 4018 -5.088 -27.805 30.155 0.00 0.00 SOLV ATOM 18048 H2 TIP3 4018 -4.598 -29.140 30.722 0.00 0.00 SOLV ATOM 18049 OH2 TIP3 4019 -22.703 -15.581 13.764 0.00 0.00 SOLV ATOM 18050 H1 TIP3 4019 -22.947 -14.966 13.039 0.00 0.00 SOLV ATOM 18051 H2 TIP3 4019 -21.938 -15.212 14.190 0.00 0.00 SOLV ATOM 18052 OH2 TIP3 4020 -9.958 -22.088 41.656 0.00 0.00 SOLV ATOM 18053 H1 TIP3 4020 -9.546 -21.718 40.875 0.00 0.00 SOLV ATOM 18054 H2 TIP3 4020 -9.804 -21.411 42.407 0.00 0.00 SOLV ATOM 18055 OH2 TIP3 4021 -10.966 -34.650 33.362 0.00 0.00 SOLV ATOM 18056 H1 TIP3 4021 -11.348 -33.714 33.438 0.00 0.00 SOLV ATOM 18057 H2 TIP3 4021 -10.090 -34.497 33.633 0.00 0.00 SOLV ATOM 18058 OH2 TIP3 4022 -18.135 -16.129 18.937 0.00 0.00 SOLV ATOM 18059 H1 TIP3 4022 -18.672 -15.822 19.677 0.00 0.00 SOLV ATOM 18060 H2 TIP3 4022 -17.269 -15.780 19.193 0.00 0.00 SOLV ATOM 18061 OH2 TIP3 4023 -12.349 -36.404 29.868 0.00 0.00 SOLV ATOM 18062 H1 TIP3 4023 -11.710 -36.786 30.491 0.00 0.00 SOLV ATOM 18063 H2 TIP3 4023 -13.131 -36.890 29.927 0.00 0.00 SOLV ATOM 18064 OH2 TIP3 4024 -23.028 -22.985 41.639 0.00 0.00 SOLV ATOM 18065 H1 TIP3 4024 -23.554 -23.751 41.689 0.00 0.00 SOLV ATOM 18066 H2 TIP3 4024 -23.631 -22.198 41.406 0.00 0.00 SOLV ATOM 18067 OH2 TIP3 4025 -2.197 -28.552 46.509 0.00 0.00 SOLV ATOM 18068 H1 TIP3 4025 -3.117 -28.568 46.522 0.00 0.00 SOLV ATOM 18069 H2 TIP3 4025 -1.965 -29.371 46.966 0.00 0.00 SOLV ATOM 18070 OH2 TIP3 4026 -12.031 -22.319 9.720 0.00 0.00 SOLV ATOM 18071 H1 TIP3 4026 -11.590 -23.097 10.098 0.00 0.00 SOLV ATOM 18072 H2 TIP3 4026 -12.082 -21.744 10.493 0.00 0.00 SOLV ATOM 18073 OH2 TIP3 4027 -18.763 -21.992 34.001 0.00 0.00 SOLV ATOM 18074 H1 TIP3 4027 -18.275 -21.748 33.138 0.00 0.00 SOLV ATOM 18075 H2 TIP3 4027 -19.714 -21.979 33.804 0.00 0.00 SOLV ATOM 18076 OH2 TIP3 4028 -15.092 -35.695 19.890 0.00 0.00 SOLV ATOM 18077 H1 TIP3 4028 -15.808 -35.066 20.187 0.00 0.00 SOLV ATOM 18078 H2 TIP3 4028 -15.052 -36.220 20.719 0.00 0.00 SOLV ATOM 18079 OH2 TIP3 4029 -31.840 -13.913 24.509 0.00 0.00 SOLV ATOM 18080 H1 TIP3 4029 -32.107 -14.697 23.937 0.00 0.00 SOLV ATOM 18081 H2 TIP3 4029 -32.489 -13.212 24.338 0.00 0.00 SOLV ATOM 18082 OH2 TIP3 4030 -0.988 -32.617 22.742 0.00 0.00 SOLV ATOM 18083 H1 TIP3 4030 -1.920 -32.636 22.941 0.00 0.00 SOLV ATOM 18084 H2 TIP3 4030 -0.724 -33.592 22.794 0.00 0.00 SOLV ATOM 18085 OH2 TIP3 4031 -23.728 -15.073 36.625 0.00 0.00 SOLV ATOM 18086 H1 TIP3 4031 -23.543 -15.533 35.750 0.00 0.00 SOLV ATOM 18087 H2 TIP3 4031 -24.644 -15.216 36.730 0.00 0.00 SOLV ATOM 18088 OH2 TIP3 4032 -24.740 -21.781 29.336 0.00 0.00 SOLV ATOM 18089 H1 TIP3 4032 -25.489 -22.347 29.323 0.00 0.00 SOLV ATOM 18090 H2 TIP3 4032 -24.649 -21.406 28.412 0.00 0.00 SOLV ATOM 18091 OH2 TIP3 4033 -16.035 -15.337 38.103 0.00 0.00 SOLV ATOM 18092 H1 TIP3 4033 -16.928 -15.587 38.273 0.00 0.00 SOLV ATOM 18093 H2 TIP3 4033 -16.087 -14.522 37.639 0.00 0.00 SOLV ATOM 18094 OH2 TIP3 4034 -0.171 -29.748 39.683 0.00 0.00 SOLV ATOM 18095 H1 TIP3 4034 -1.129 -29.721 39.693 0.00 0.00 SOLV ATOM 18096 H2 TIP3 4034 0.085 -29.000 40.164 0.00 0.00 SOLV ATOM 18097 OH2 TIP3 4035 -16.541 -16.788 52.155 0.00 0.00 SOLV ATOM 18098 H1 TIP3 4035 -17.062 -16.955 51.377 0.00 0.00 SOLV ATOM 18099 H2 TIP3 4035 -17.069 -17.290 52.767 0.00 0.00 SOLV ATOM 18100 OH2 TIP3 4036 -13.689 -26.127 51.980 0.00 0.00 SOLV ATOM 18101 H1 TIP3 4036 -13.893 -27.017 52.267 0.00 0.00 SOLV ATOM 18102 H2 TIP3 4036 -14.005 -26.072 51.040 0.00 0.00 SOLV ATOM 18103 OH2 TIP3 4037 -21.356 -24.004 7.942 0.00 0.00 SOLV ATOM 18104 H1 TIP3 4037 -21.243 -23.465 8.785 0.00 0.00 SOLV ATOM 18105 H2 TIP3 4037 -20.443 -24.259 7.709 0.00 0.00 SOLV ATOM 18106 OH2 TIP3 4038 -9.040 -13.565 39.435 0.00 0.00 SOLV ATOM 18107 H1 TIP3 4038 -9.950 -13.955 39.395 0.00 0.00 SOLV ATOM 18108 H2 TIP3 4038 -8.734 -13.555 38.457 0.00 0.00 SOLV ATOM 18109 OH2 TIP3 4039 -18.142 -26.989 26.711 0.00 0.00 SOLV ATOM 18110 H1 TIP3 4039 -18.252 -27.795 27.238 0.00 0.00 SOLV ATOM 18111 H2 TIP3 4039 -18.398 -26.302 27.332 0.00 0.00 SOLV ATOM 18112 OH2 TIP3 4040 -4.445 -12.836 6.004 0.00 0.00 SOLV ATOM 18113 H1 TIP3 4040 -3.877 -12.696 5.229 0.00 0.00 SOLV ATOM 18114 H2 TIP3 4040 -4.849 -11.947 6.097 0.00 0.00 SOLV ATOM 18115 OH2 TIP3 4041 -29.666 -22.097 18.724 0.00 0.00 SOLV ATOM 18116 H1 TIP3 4041 -30.233 -21.304 18.996 0.00 0.00 SOLV ATOM 18117 H2 TIP3 4041 -29.209 -22.204 19.509 0.00 0.00 SOLV ATOM 18118 OH2 TIP3 4042 -21.211 -24.114 35.835 0.00 0.00 SOLV ATOM 18119 H1 TIP3 4042 -21.701 -23.844 35.053 0.00 0.00 SOLV ATOM 18120 H2 TIP3 4042 -20.913 -23.235 36.209 0.00 0.00 SOLV ATOM 18121 OH2 TIP3 4043 -12.122 -23.762 48.859 0.00 0.00 SOLV ATOM 18122 H1 TIP3 4043 -11.948 -23.156 48.021 0.00 0.00 SOLV ATOM 18123 H2 TIP3 4043 -11.242 -24.213 48.944 0.00 0.00 SOLV ATOM 18124 OH2 TIP3 4044 -12.535 -29.262 46.755 0.00 0.00 SOLV ATOM 18125 H1 TIP3 4044 -13.050 -29.884 47.283 0.00 0.00 SOLV ATOM 18126 H2 TIP3 4044 -12.752 -29.539 45.851 0.00 0.00 SOLV ATOM 18127 OH2 TIP3 4045 3.706 -13.792 44.036 0.00 0.00 SOLV ATOM 18128 H1 TIP3 4045 3.914 -13.415 43.197 0.00 0.00 SOLV ATOM 18129 H2 TIP3 4045 4.497 -13.574 44.533 0.00 0.00 SOLV ATOM 18130 OH2 TIP3 4046 -20.477 -17.823 42.783 0.00 0.00 SOLV ATOM 18131 H1 TIP3 4046 -20.781 -16.951 43.146 0.00 0.00 SOLV ATOM 18132 H2 TIP3 4046 -19.520 -17.724 42.838 0.00 0.00 SOLV ATOM 18133 OH2 TIP3 4047 -28.523 -5.001 26.911 0.00 0.00 SOLV ATOM 18134 H1 TIP3 4047 -28.548 -5.865 26.545 0.00 0.00 SOLV ATOM 18135 H2 TIP3 4047 -27.674 -4.882 27.341 0.00 0.00 SOLV ATOM 18136 OH2 TIP3 4048 -23.150 -10.406 10.720 0.00 0.00 SOLV ATOM 18137 H1 TIP3 4048 -23.657 -9.635 10.386 0.00 0.00 SOLV ATOM 18138 H2 TIP3 4048 -23.801 -11.116 10.622 0.00 0.00 SOLV ATOM 18139 OH2 TIP3 4049 -10.272 -22.016 19.529 0.00 0.00 SOLV ATOM 18140 H1 TIP3 4049 -10.142 -22.981 19.459 0.00 0.00 SOLV ATOM 18141 H2 TIP3 4049 -10.258 -21.897 20.488 0.00 0.00 SOLV ATOM 18142 OH2 TIP3 4050 -23.593 -23.263 32.819 0.00 0.00 SOLV ATOM 18143 H1 TIP3 4050 -23.392 -23.216 31.905 0.00 0.00 SOLV ATOM 18144 H2 TIP3 4050 -22.997 -23.939 33.116 0.00 0.00 SOLV ATOM 18145 OH2 TIP3 4051 -22.739 -11.874 37.104 0.00 0.00 SOLV ATOM 18146 H1 TIP3 4051 -22.562 -12.626 36.589 0.00 0.00 SOLV ATOM 18147 H2 TIP3 4051 -22.859 -11.169 36.433 0.00 0.00 SOLV ATOM 18148 OH2 TIP3 4052 -6.013 1.736 42.890 0.00 0.00 SOLV ATOM 18149 H1 TIP3 4052 -5.929 2.232 43.696 0.00 0.00 SOLV ATOM 18150 H2 TIP3 4052 -5.497 0.954 43.023 0.00 0.00 SOLV ATOM 18151 OH2 TIP3 4053 -18.681 -5.984 13.200 0.00 0.00 SOLV ATOM 18152 H1 TIP3 4053 -19.350 -6.490 13.673 0.00 0.00 SOLV ATOM 18153 H2 TIP3 4053 -18.162 -5.564 13.925 0.00 0.00 SOLV ATOM 18154 OH2 TIP3 4054 -4.812 -30.598 46.445 0.00 0.00 SOLV ATOM 18155 H1 TIP3 4054 -4.271 -30.821 47.224 0.00 0.00 SOLV ATOM 18156 H2 TIP3 4054 -5.714 -30.683 46.745 0.00 0.00 SOLV ATOM 18157 OH2 TIP3 4055 -7.107 -26.123 9.402 0.00 0.00 SOLV ATOM 18158 H1 TIP3 4055 -6.252 -25.722 9.688 0.00 0.00 SOLV ATOM 18159 H2 TIP3 4055 -7.517 -26.334 10.235 0.00 0.00 SOLV ATOM 18160 OH2 TIP3 4056 2.256 -8.344 10.729 0.00 0.00 SOLV ATOM 18161 H1 TIP3 4056 2.963 -8.770 11.260 0.00 0.00 SOLV ATOM 18162 H2 TIP3 4056 1.730 -7.981 11.467 0.00 0.00 SOLV ATOM 18163 OH2 TIP3 4057 -23.136 -24.021 18.985 0.00 0.00 SOLV ATOM 18164 H1 TIP3 4057 -22.462 -24.663 19.260 0.00 0.00 SOLV ATOM 18165 H2 TIP3 4057 -22.668 -23.413 18.326 0.00 0.00 SOLV ATOM 18166 OH2 TIP3 4058 -20.025 -5.963 19.988 0.00 0.00 SOLV ATOM 18167 H1 TIP3 4058 -19.664 -6.719 19.514 0.00 0.00 SOLV ATOM 18168 H2 TIP3 4058 -20.917 -6.205 20.097 0.00 0.00 SOLV ATOM 18169 OH2 TIP3 4059 -29.006 -13.946 14.167 0.00 0.00 SOLV ATOM 18170 H1 TIP3 4059 -28.587 -13.991 13.268 0.00 0.00 SOLV ATOM 18171 H2 TIP3 4059 -28.656 -13.087 14.501 0.00 0.00 SOLV ATOM 18172 OH2 TIP3 4060 -7.188 -14.576 48.006 0.00 0.00 SOLV ATOM 18173 H1 TIP3 4060 -6.700 -14.096 48.724 0.00 0.00 SOLV ATOM 18174 H2 TIP3 4060 -6.579 -14.442 47.257 0.00 0.00 SOLV ATOM 18175 OH2 TIP3 4061 -6.652 -1.361 35.584 0.00 0.00 SOLV ATOM 18176 H1 TIP3 4061 -5.789 -1.465 35.198 0.00 0.00 SOLV ATOM 18177 H2 TIP3 4061 -6.642 -2.134 36.230 0.00 0.00 SOLV ATOM 18178 OH2 TIP3 4062 -23.003 0.843 38.279 0.00 0.00 SOLV ATOM 18179 H1 TIP3 4062 -22.656 0.986 39.196 0.00 0.00 SOLV ATOM 18180 H2 TIP3 4062 -22.533 1.590 37.795 0.00 0.00 SOLV ATOM 18181 OH2 TIP3 4063 -16.964 -2.280 43.880 0.00 0.00 SOLV ATOM 18182 H1 TIP3 4063 -16.625 -3.154 43.701 0.00 0.00 SOLV ATOM 18183 H2 TIP3 4063 -17.932 -2.327 43.721 0.00 0.00 SOLV ATOM 18184 OH2 TIP3 4064 -18.449 -6.690 33.191 0.00 0.00 SOLV ATOM 18185 H1 TIP3 4064 -18.206 -6.731 34.082 0.00 0.00 SOLV ATOM 18186 H2 TIP3 4064 -17.702 -6.212 32.860 0.00 0.00 SOLV ATOM 18187 OH2 TIP3 4065 -10.367 -11.502 52.671 0.00 0.00 SOLV ATOM 18188 H1 TIP3 4065 -10.965 -11.006 52.105 0.00 0.00 SOLV ATOM 18189 H2 TIP3 4065 -9.996 -12.170 52.052 0.00 0.00 SOLV ATOM 18190 OH2 TIP3 4066 -20.772 -11.037 9.222 0.00 0.00 SOLV ATOM 18191 H1 TIP3 4066 -21.629 -10.681 9.516 0.00 0.00 SOLV ATOM 18192 H2 TIP3 4066 -20.861 -11.993 9.082 0.00 0.00 SOLV ATOM 18193 OH2 TIP3 4067 -6.659 -14.794 6.194 0.00 0.00 SOLV ATOM 18194 H1 TIP3 4067 -6.230 -15.662 6.159 0.00 0.00 SOLV ATOM 18195 H2 TIP3 4067 -5.935 -14.252 5.831 0.00 0.00 SOLV ATOM 18196 OH2 TIP3 4068 -24.925 1.424 13.582 0.00 0.00 SOLV ATOM 18197 H1 TIP3 4068 -25.238 1.682 12.656 0.00 0.00 SOLV ATOM 18198 H2 TIP3 4068 -25.098 2.218 14.096 0.00 0.00 SOLV ATOM 18199 OH2 TIP3 4069 -8.589 -21.428 11.635 0.00 0.00 SOLV ATOM 18200 H1 TIP3 4069 -9.100 -22.198 11.932 0.00 0.00 SOLV ATOM 18201 H2 TIP3 4069 -9.068 -20.706 12.097 0.00 0.00 SOLV ATOM 18202 OH2 TIP3 4070 -18.798 -28.545 32.181 0.00 0.00 SOLV ATOM 18203 H1 TIP3 4070 -18.143 -27.855 32.445 0.00 0.00 SOLV ATOM 18204 H2 TIP3 4070 -18.308 -29.140 31.562 0.00 0.00 SOLV ATOM 18205 OH2 TIP3 4071 -25.347 -17.442 38.344 0.00 0.00 SOLV ATOM 18206 H1 TIP3 4071 -25.052 -17.247 39.292 0.00 0.00 SOLV ATOM 18207 H2 TIP3 4071 -26.113 -16.921 38.257 0.00 0.00 SOLV ATOM 18208 OH2 TIP3 4072 -13.921 -23.440 43.935 0.00 0.00 SOLV ATOM 18209 H1 TIP3 4072 -13.762 -23.186 43.034 0.00 0.00 SOLV ATOM 18210 H2 TIP3 4072 -14.877 -23.134 44.193 0.00 0.00 SOLV ATOM 18211 OH2 TIP3 4073 -9.399 -5.146 50.868 0.00 0.00 SOLV ATOM 18212 H1 TIP3 4073 -9.443 -4.170 50.978 0.00 0.00 SOLV ATOM 18213 H2 TIP3 4073 -8.606 -5.176 50.369 0.00 0.00 SOLV ATOM 18214 OH2 TIP3 4074 -20.572 -21.585 37.166 0.00 0.00 SOLV ATOM 18215 H1 TIP3 4074 -20.796 -21.672 38.078 0.00 0.00 SOLV ATOM 18216 H2 TIP3 4074 -19.590 -21.217 37.170 0.00 0.00 SOLV ATOM 18217 OH2 TIP3 4075 -9.603 1.287 47.070 0.00 0.00 SOLV ATOM 18218 H1 TIP3 4075 -10.353 1.887 47.102 0.00 0.00 SOLV ATOM 18219 H2 TIP3 4075 -9.521 1.037 46.147 0.00 0.00 SOLV ATOM 18220 OH2 TIP3 4076 -20.077 -11.933 39.953 0.00 0.00 SOLV ATOM 18221 H1 TIP3 4076 -20.049 -12.479 39.170 0.00 0.00 SOLV ATOM 18222 H2 TIP3 4076 -20.457 -12.447 40.660 0.00 0.00 SOLV ATOM 18223 OH2 TIP3 4077 0.418 -22.496 18.506 0.00 0.00 SOLV ATOM 18224 H1 TIP3 4077 0.548 -23.319 17.989 0.00 0.00 SOLV ATOM 18225 H2 TIP3 4077 -0.125 -22.835 19.228 0.00 0.00 SOLV ATOM 18226 OH2 TIP3 4078 -26.611 -9.386 15.244 0.00 0.00 SOLV ATOM 18227 H1 TIP3 4078 -25.879 -9.799 14.760 0.00 0.00 SOLV ATOM 18228 H2 TIP3 4078 -26.946 -8.771 14.572 0.00 0.00 SOLV ATOM 18229 OH2 TIP3 4079 -4.981 -7.975 4.303 0.00 0.00 SOLV ATOM 18230 H1 TIP3 4079 -4.924 -7.260 3.625 0.00 0.00 SOLV ATOM 18231 H2 TIP3 4079 -5.057 -7.518 5.116 0.00 0.00 SOLV ATOM 18232 OH2 TIP3 4080 -3.092 5.589 18.804 0.00 0.00 SOLV ATOM 18233 H1 TIP3 4080 -3.645 5.687 17.999 0.00 0.00 SOLV ATOM 18234 H2 TIP3 4080 -3.360 6.328 19.423 0.00 0.00 SOLV ATOM 18235 OH2 TIP3 4081 -15.108 -6.831 41.873 0.00 0.00 SOLV ATOM 18236 H1 TIP3 4081 -14.729 -7.675 42.156 0.00 0.00 SOLV ATOM 18237 H2 TIP3 4081 -16.060 -7.079 41.764 0.00 0.00 SOLV ATOM 18238 OH2 TIP3 4082 -17.900 -6.634 42.350 0.00 0.00 SOLV ATOM 18239 H1 TIP3 4082 -17.979 -7.565 42.244 0.00 0.00 SOLV ATOM 18240 H2 TIP3 4082 -18.231 -6.314 41.500 0.00 0.00 SOLV ATOM 18241 OH2 TIP3 4083 -13.451 -0.574 35.379 0.00 0.00 SOLV ATOM 18242 H1 TIP3 4083 -13.408 -1.321 36.013 0.00 0.00 SOLV ATOM 18243 H2 TIP3 4083 -14.135 0.043 35.765 0.00 0.00 SOLV ATOM 18244 OH2 TIP3 4084 -21.686 -1.533 38.750 0.00 0.00 SOLV ATOM 18245 H1 TIP3 4084 -22.240 -0.767 38.676 0.00 0.00 SOLV ATOM 18246 H2 TIP3 4084 -21.111 -1.326 39.540 0.00 0.00 SOLV ATOM 18247 OH2 TIP3 4085 -17.066 -12.964 41.160 0.00 0.00 SOLV ATOM 18248 H1 TIP3 4085 -17.810 -13.470 40.792 0.00 0.00 SOLV ATOM 18249 H2 TIP3 4085 -17.468 -12.339 41.836 0.00 0.00 SOLV ATOM 18250 OH2 TIP3 4086 -20.242 -1.460 45.363 0.00 0.00 SOLV ATOM 18251 H1 TIP3 4086 -19.687 -2.168 45.582 0.00 0.00 SOLV ATOM 18252 H2 TIP3 4086 -20.328 -1.473 44.357 0.00 0.00 SOLV ATOM 18253 OH2 TIP3 4087 15.683 14.061 11.659 0.00 0.00 SOLV ATOM 18254 H1 TIP3 4087 15.546 13.329 12.349 0.00 0.00 SOLV ATOM 18255 H2 TIP3 4087 16.159 13.548 10.993 0.00 0.00 SOLV ATOM 18256 OH2 TIP3 4088 -18.189 -25.060 41.745 0.00 0.00 SOLV ATOM 18257 H1 TIP3 4088 -19.103 -24.708 41.575 0.00 0.00 SOLV ATOM 18258 H2 TIP3 4088 -17.809 -25.122 40.856 0.00 0.00 SOLV ATOM 18259 OH2 TIP3 4089 -14.805 -6.782 45.365 0.00 0.00 SOLV ATOM 18260 H1 TIP3 4089 -14.645 -7.720 45.058 0.00 0.00 SOLV ATOM 18261 H2 TIP3 4089 -13.874 -6.657 45.786 0.00 0.00 SOLV ATOM 18262 OH2 TIP3 4090 -0.451 -6.281 49.028 0.00 0.00 SOLV ATOM 18263 H1 TIP3 4090 -1.182 -5.924 49.556 0.00 0.00 SOLV ATOM 18264 H2 TIP3 4090 -0.700 -6.068 48.123 0.00 0.00 SOLV ATOM 18265 OH2 TIP3 4091 -5.428 -28.707 33.664 0.00 0.00 SOLV ATOM 18266 H1 TIP3 4091 -5.483 -28.511 32.724 0.00 0.00 SOLV ATOM 18267 H2 TIP3 4091 -4.496 -28.720 33.790 0.00 0.00 SOLV ATOM 18268 OH2 TIP3 4092 -24.660 3.788 23.038 0.00 0.00 SOLV ATOM 18269 H1 TIP3 4092 -24.832 3.188 22.350 0.00 0.00 SOLV ATOM 18270 H2 TIP3 4092 -24.691 3.235 23.869 0.00 0.00 SOLV ATOM 18271 OH2 TIP3 4093 -19.699 -3.546 14.169 0.00 0.00 SOLV ATOM 18272 H1 TIP3 4093 -19.382 -4.079 13.484 0.00 0.00 SOLV ATOM 18273 H2 TIP3 4093 -18.922 -2.947 14.329 0.00 0.00 SOLV ATOM 18274 OH2 TIP3 4094 -25.707 -2.848 39.246 0.00 0.00 SOLV ATOM 18275 H1 TIP3 4094 -25.683 -2.878 40.176 0.00 0.00 SOLV ATOM 18276 H2 TIP3 4094 -25.952 -1.904 39.023 0.00 0.00 SOLV ATOM 18277 OH2 TIP3 4095 -4.698 -12.909 46.916 0.00 0.00 SOLV ATOM 18278 H1 TIP3 4095 -4.886 -12.860 47.865 0.00 0.00 SOLV ATOM 18279 H2 TIP3 4095 -4.726 -13.869 46.747 0.00 0.00 SOLV ATOM 18280 OH2 TIP3 4096 -11.914 -17.307 7.357 0.00 0.00 SOLV ATOM 18281 H1 TIP3 4096 -12.204 -16.407 7.146 0.00 0.00 SOLV ATOM 18282 H2 TIP3 4096 -12.421 -17.795 6.688 0.00 0.00 SOLV ATOM 18283 OH2 TIP3 4097 -33.534 11.802 18.433 0.00 0.00 SOLV ATOM 18284 H1 TIP3 4097 -33.093 12.052 17.615 0.00 0.00 SOLV ATOM 18285 H2 TIP3 4097 -32.929 12.295 19.015 0.00 0.00 SOLV ATOM 18286 OH2 TIP3 4098 -25.367 1.106 35.634 0.00 0.00 SOLV ATOM 18287 H1 TIP3 4098 -25.651 0.454 34.961 0.00 0.00 SOLV ATOM 18288 H2 TIP3 4098 -24.808 1.624 35.107 0.00 0.00 SOLV ATOM 18289 OH2 TIP3 4099 -29.718 2.001 32.510 0.00 0.00 SOLV ATOM 18290 H1 TIP3 4099 -30.597 2.162 32.929 0.00 0.00 SOLV ATOM 18291 H2 TIP3 4099 -29.821 2.582 31.703 0.00 0.00 SOLV ATOM 18292 OH2 TIP3 4100 -12.319 -17.451 31.808 0.00 0.00 SOLV ATOM 18293 H1 TIP3 4100 -11.706 -18.213 32.100 0.00 0.00 SOLV ATOM 18294 H2 TIP3 4100 -13.233 -17.783 32.042 0.00 0.00 SOLV ATOM 18295 OH2 TIP3 4101 -19.467 -8.001 18.136 0.00 0.00 SOLV ATOM 18296 H1 TIP3 4101 -18.662 -8.364 18.513 0.00 0.00 SOLV ATOM 18297 H2 TIP3 4101 -19.834 -8.814 17.740 0.00 0.00 SOLV ATOM 18298 OH2 TIP3 4102 -17.202 -0.842 38.115 0.00 0.00 SOLV ATOM 18299 H1 TIP3 4102 -17.910 -0.181 37.953 0.00 0.00 SOLV ATOM 18300 H2 TIP3 4102 -17.559 -1.721 37.899 0.00 0.00 SOLV ATOM 18301 OH2 TIP3 4103 -13.370 1.660 42.178 0.00 0.00 SOLV ATOM 18302 H1 TIP3 4103 -13.172 1.552 41.240 0.00 0.00 SOLV ATOM 18303 H2 TIP3 4103 -13.636 0.791 42.470 0.00 0.00 SOLV ATOM 18304 OH2 TIP3 4104 -12.661 -1.936 48.635 0.00 0.00 SOLV ATOM 18305 H1 TIP3 4104 -12.842 -0.988 48.620 0.00 0.00 SOLV ATOM 18306 H2 TIP3 4104 -11.832 -2.025 48.182 0.00 0.00 SOLV ATOM 18307 OH2 TIP3 4105 3.222 19.539 -7.082 0.00 0.00 SOLV ATOM 18308 H1 TIP3 4105 3.867 19.068 -7.688 0.00 0.00 SOLV ATOM 18309 H2 TIP3 4105 2.433 19.539 -7.582 0.00 0.00 SOLV ATOM 18310 OH2 TIP3 4106 -14.800 9.747 30.391 0.00 0.00 SOLV ATOM 18311 H1 TIP3 4106 -15.066 10.690 30.487 0.00 0.00 SOLV ATOM 18312 H2 TIP3 4106 -15.276 9.438 29.622 0.00 0.00 SOLV ATOM 18313 OH2 TIP3 4107 0.543 1.230 38.439 0.00 0.00 SOLV ATOM 18314 H1 TIP3 4107 0.875 2.059 38.585 0.00 0.00 SOLV ATOM 18315 H2 TIP3 4107 -0.381 1.310 38.672 0.00 0.00 SOLV ATOM 18316 OH2 TIP3 4108 -23.401 14.766 30.492 0.00 0.00 SOLV ATOM 18317 H1 TIP3 4108 -22.826 14.015 30.316 0.00 0.00 SOLV ATOM 18318 H2 TIP3 4108 -22.924 15.372 31.079 0.00 0.00 SOLV ATOM 18319 OH2 TIP3 4109 5.196 2.895 46.528 0.00 0.00 SOLV ATOM 18320 H1 TIP3 4109 4.360 2.704 46.038 0.00 0.00 SOLV ATOM 18321 H2 TIP3 4109 5.531 2.099 46.729 0.00 0.00 SOLV ATOM 18322 OH2 TIP3 4110 -9.426 0.987 40.919 0.00 0.00 SOLV ATOM 18323 H1 TIP3 4110 -9.358 0.381 41.685 0.00 0.00 SOLV ATOM 18324 H2 TIP3 4110 -9.698 0.462 40.110 0.00 0.00 SOLV ATOM 18325 OH2 TIP3 4111 -24.683 8.878 11.882 0.00 0.00 SOLV ATOM 18326 H1 TIP3 4111 -23.749 8.945 12.237 0.00 0.00 SOLV ATOM 18327 H2 TIP3 4111 -24.839 7.918 11.803 0.00 0.00 SOLV ATOM 18328 OH2 TIP3 4112 -9.504 12.314 28.490 0.00 0.00 SOLV ATOM 18329 H1 TIP3 4112 -8.936 12.110 27.639 0.00 0.00 SOLV ATOM 18330 H2 TIP3 4112 -8.879 12.876 28.997 0.00 0.00 SOLV ATOM 18331 OH2 TIP3 4113 -17.659 7.460 30.821 0.00 0.00 SOLV ATOM 18332 H1 TIP3 4113 -18.542 7.174 30.551 0.00 0.00 SOLV ATOM 18333 H2 TIP3 4113 -17.097 6.927 30.257 0.00 0.00 SOLV ATOM 18334 OH2 TIP3 4114 -21.732 15.636 32.544 0.00 0.00 SOLV ATOM 18335 H1 TIP3 4114 -21.809 15.636 33.494 0.00 0.00 SOLV ATOM 18336 H2 TIP3 4114 -21.140 14.912 32.352 0.00 0.00 SOLV ATOM 18337 OH2 TIP3 4115 -13.576 4.764 29.436 0.00 0.00 SOLV ATOM 18338 H1 TIP3 4115 -13.194 4.214 30.167 0.00 0.00 SOLV ATOM 18339 H2 TIP3 4115 -13.111 5.648 29.519 0.00 0.00 SOLV ATOM 18340 OH2 TIP3 4116 -15.578 1.289 46.054 0.00 0.00 SOLV ATOM 18341 H1 TIP3 4116 -16.157 2.042 45.796 0.00 0.00 SOLV ATOM 18342 H2 TIP3 4116 -16.295 0.818 46.468 0.00 0.00 SOLV ATOM 18343 OH2 TIP3 4117 -18.564 -35.837 41.126 0.00 0.00 SOLV ATOM 18344 H1 TIP3 4117 -18.346 -36.154 40.206 0.00 0.00 SOLV ATOM 18345 H2 TIP3 4117 -19.563 -35.628 41.017 0.00 0.00 SOLV ATOM 18346 OH2 TIP3 4118 -10.153 -39.906 14.369 0.00 0.00 SOLV ATOM 18347 H1 TIP3 4118 -10.464 -39.501 15.205 0.00 0.00 SOLV ATOM 18348 H2 TIP3 4118 -9.240 -40.088 14.689 0.00 0.00 SOLV ATOM 18349 OH2 TIP3 4119 -29.573 0.791 11.411 0.00 0.00 SOLV ATOM 18350 H1 TIP3 4119 -29.562 0.083 11.981 0.00 0.00 SOLV ATOM 18351 H2 TIP3 4119 -29.465 1.571 12.025 0.00 0.00 SOLV ATOM 18352 OH2 TIP3 4120 -8.221 11.920 34.562 0.00 0.00 SOLV ATOM 18353 H1 TIP3 4120 -7.766 11.483 33.743 0.00 0.00 SOLV ATOM 18354 H2 TIP3 4120 -7.843 11.489 35.370 0.00 0.00 SOLV ATOM 18355 OH2 TIP3 4121 -18.149 6.055 41.146 0.00 0.00 SOLV ATOM 18356 H1 TIP3 4121 -18.452 5.521 41.880 0.00 0.00 SOLV ATOM 18357 H2 TIP3 4121 -17.240 5.696 41.079 0.00 0.00 SOLV ATOM 18358 OH2 TIP3 4122 -16.517 5.193 37.339 0.00 0.00 SOLV ATOM 18359 H1 TIP3 4122 -16.204 5.777 36.579 0.00 0.00 SOLV ATOM 18360 H2 TIP3 4122 -16.679 4.322 36.910 0.00 0.00 SOLV ATOM 18361 OH2 TIP3 4123 -25.223 -0.995 7.810 0.00 0.00 SOLV ATOM 18362 H1 TIP3 4123 -25.570 -0.790 6.964 0.00 0.00 SOLV ATOM 18363 H2 TIP3 4123 -25.084 -0.083 8.221 0.00 0.00 SOLV ATOM 18364 OH2 TIP3 4124 -9.282 16.338 1.325 0.00 0.00 SOLV ATOM 18365 H1 TIP3 4124 -9.678 17.169 1.533 0.00 0.00 SOLV ATOM 18366 H2 TIP3 4124 -8.358 16.573 0.960 0.00 0.00 SOLV ATOM 18367 OH2 TIP3 4125 -3.748 -33.235 39.480 0.00 0.00 SOLV ATOM 18368 H1 TIP3 4125 -3.214 -34.004 39.202 0.00 0.00 SOLV ATOM 18369 H2 TIP3 4125 -3.222 -32.936 40.250 0.00 0.00 SOLV ATOM 18370 OH2 TIP3 4126 -28.902 -1.920 26.701 0.00 0.00 SOLV ATOM 18371 H1 TIP3 4126 -29.327 -1.815 27.574 0.00 0.00 SOLV ATOM 18372 H2 TIP3 4126 -28.577 -2.862 26.615 0.00 0.00 SOLV ATOM 18373 OH2 TIP3 4127 3.613 -39.258 26.370 0.00 0.00 SOLV ATOM 18374 H1 TIP3 4127 4.292 -38.751 25.888 0.00 0.00 SOLV ATOM 18375 H2 TIP3 4127 2.801 -38.751 26.058 0.00 0.00 SOLV ATOM 18376 OH2 TIP3 4128 -12.362 -43.902 26.552 0.00 0.00 SOLV ATOM 18377 H1 TIP3 4128 -12.397 -44.162 25.630 0.00 0.00 SOLV ATOM 18378 H2 TIP3 4128 -13.146 -43.352 26.636 0.00 0.00 SOLV ATOM 18379 OH2 TIP3 4129 -9.343 -41.587 17.088 0.00 0.00 SOLV ATOM 18380 H1 TIP3 4129 -9.898 -42.101 16.464 0.00 0.00 SOLV ATOM 18381 H2 TIP3 4129 -9.724 -40.690 17.201 0.00 0.00 SOLV ATOM 18382 OH2 TIP3 4130 -23.483 -37.142 20.430 0.00 0.00 SOLV ATOM 18383 H1 TIP3 4130 -23.360 -37.227 19.459 0.00 0.00 SOLV ATOM 18384 H2 TIP3 4130 -23.711 -36.219 20.550 0.00 0.00 SOLV ATOM 18385 OH2 TIP3 4131 -9.653 17.727 12.870 0.00 0.00 SOLV ATOM 18386 H1 TIP3 4131 -10.084 18.109 12.131 0.00 0.00 SOLV ATOM 18387 H2 TIP3 4131 -9.082 18.446 13.269 0.00 0.00 SOLV ATOM 18388 OH2 TIP3 4132 -10.338 5.959 43.405 0.00 0.00 SOLV ATOM 18389 H1 TIP3 4132 -10.815 5.882 44.221 0.00 0.00 SOLV ATOM 18390 H2 TIP3 4132 -9.915 5.076 43.370 0.00 0.00 SOLV ATOM 18391 OH2 TIP3 4133 -9.333 -18.101 8.114 0.00 0.00 SOLV ATOM 18392 H1 TIP3 4133 -10.119 -17.580 7.855 0.00 0.00 SOLV ATOM 18393 H2 TIP3 4133 -9.732 -18.997 8.081 0.00 0.00 SOLV ATOM 18394 OH2 TIP3 4134 -12.186 -42.094 14.794 0.00 0.00 SOLV ATOM 18395 H1 TIP3 4134 -12.415 -41.163 14.978 0.00 0.00 SOLV ATOM 18396 H2 TIP3 4134 -13.072 -42.425 14.607 0.00 0.00 SOLV ATOM 18397 OH2 TIP3 4135 -12.866 -30.313 32.074 0.00 0.00 SOLV ATOM 18398 H1 TIP3 4135 -12.151 -29.789 31.674 0.00 0.00 SOLV ATOM 18399 H2 TIP3 4135 -13.460 -30.589 31.316 0.00 0.00 SOLV ATOM 18400 OH2 TIP3 4136 -20.264 -32.581 25.973 0.00 0.00 SOLV ATOM 18401 H1 TIP3 4136 -20.236 -32.671 24.976 0.00 0.00 SOLV ATOM 18402 H2 TIP3 4136 -19.304 -32.517 26.207 0.00 0.00 SOLV ATOM 18403 OH2 TIP3 4137 -5.560 -36.081 36.520 0.00 0.00 SOLV ATOM 18404 H1 TIP3 4137 -6.162 -36.743 36.300 0.00 0.00 SOLV ATOM 18405 H2 TIP3 4137 -6.008 -35.594 37.305 0.00 0.00 SOLV ATOM 18406 OH2 TIP3 4138 -7.865 -32.562 36.561 0.00 0.00 SOLV ATOM 18407 H1 TIP3 4138 -7.381 -33.080 37.170 0.00 0.00 SOLV ATOM 18408 H2 TIP3 4138 -8.753 -32.589 36.910 0.00 0.00 SOLV ATOM 18409 OH2 TIP3 4139 -8.578 -35.895 43.207 0.00 0.00 SOLV ATOM 18410 H1 TIP3 4139 -9.012 -36.688 43.598 0.00 0.00 SOLV ATOM 18411 H2 TIP3 4139 -7.584 -36.040 43.314 0.00 0.00 SOLV ATOM 18412 OH2 TIP3 4140 -19.666 -41.778 24.290 0.00 0.00 SOLV ATOM 18413 H1 TIP3 4140 -19.967 -42.557 24.858 0.00 0.00 SOLV ATOM 18414 H2 TIP3 4140 -18.863 -41.517 24.663 0.00 0.00 SOLV ATOM 18415 OH2 TIP3 4141 -8.204 -27.670 37.517 0.00 0.00 SOLV ATOM 18416 H1 TIP3 4141 -8.322 -27.475 38.441 0.00 0.00 SOLV ATOM 18417 H2 TIP3 4141 -7.555 -28.383 37.506 0.00 0.00 SOLV ATOM 18418 OH2 TIP3 4142 -10.005 -37.500 31.122 0.00 0.00 SOLV ATOM 18419 H1 TIP3 4142 -10.347 -38.321 31.441 0.00 0.00 SOLV ATOM 18420 H2 TIP3 4142 -9.058 -37.744 30.910 0.00 0.00 SOLV ATOM 18421 OH2 TIP3 4143 -22.606 -26.903 43.340 0.00 0.00 SOLV ATOM 18422 H1 TIP3 4143 -22.872 -27.271 44.146 0.00 0.00 SOLV ATOM 18423 H2 TIP3 4143 -21.753 -26.370 43.546 0.00 0.00 SOLV ATOM 18424 OH2 TIP3 4144 -10.378 -42.934 28.055 0.00 0.00 SOLV ATOM 18425 H1 TIP3 4144 -10.719 -42.753 28.916 0.00 0.00 SOLV ATOM 18426 H2 TIP3 4144 -11.139 -43.147 27.474 0.00 0.00 SOLV ATOM 18427 OH2 TIP3 4145 -6.298 -40.815 26.502 0.00 0.00 SOLV ATOM 18428 H1 TIP3 4145 -6.614 -41.520 27.015 0.00 0.00 SOLV ATOM 18429 H2 TIP3 4145 -6.972 -40.782 25.731 0.00 0.00 SOLV ATOM 18430 OH2 TIP3 4146 2.157 -40.385 14.908 0.00 0.00 SOLV ATOM 18431 H1 TIP3 4146 1.685 -40.616 14.074 0.00 0.00 SOLV ATOM 18432 H2 TIP3 4146 1.799 -39.508 15.129 0.00 0.00 SOLV ATOM 18433 OH2 TIP3 4147 -25.631 -12.736 13.031 0.00 0.00 SOLV ATOM 18434 H1 TIP3 4147 -25.414 -12.044 13.636 0.00 0.00 SOLV ATOM 18435 H2 TIP3 4147 -25.630 -13.495 13.586 0.00 0.00 SOLV ATOM 18436 OH2 TIP3 4148 -14.682 -42.975 14.767 0.00 0.00 SOLV ATOM 18437 H1 TIP3 4148 -14.909 -43.638 15.358 0.00 0.00 SOLV ATOM 18438 H2 TIP3 4148 -15.462 -42.834 14.192 0.00 0.00 SOLV ATOM 18439 OH2 TIP3 4149 -8.776 -5.615 40.567 0.00 0.00 SOLV ATOM 18440 H1 TIP3 4149 -8.777 -6.395 41.193 0.00 0.00 SOLV ATOM 18441 H2 TIP3 4149 -7.931 -5.737 40.090 0.00 0.00 SOLV ATOM 18442 OH2 TIP3 4150 -16.506 -34.204 42.372 0.00 0.00 SOLV ATOM 18443 H1 TIP3 4150 -15.703 -34.596 41.940 0.00 0.00 SOLV ATOM 18444 H2 TIP3 4150 -17.236 -34.588 41.861 0.00 0.00 SOLV ATOM 18445 OH2 TIP3 4151 -3.775 -39.527 14.274 0.00 0.00 SOLV ATOM 18446 H1 TIP3 4151 -4.033 -40.229 13.658 0.00 0.00 SOLV ATOM 18447 H2 TIP3 4151 -4.601 -39.177 14.634 0.00 0.00 SOLV ATOM 18448 OH2 TIP3 4152 -13.235 -28.019 8.274 0.00 0.00 SOLV ATOM 18449 H1 TIP3 4152 -13.809 -28.041 7.459 0.00 0.00 SOLV ATOM 18450 H2 TIP3 4152 -13.568 -27.168 8.668 0.00 0.00 SOLV ATOM 18451 OH2 TIP3 4153 -18.647 -24.043 19.898 0.00 0.00 SOLV ATOM 18452 H1 TIP3 4153 -18.655 -24.246 18.938 0.00 0.00 SOLV ATOM 18453 H2 TIP3 4153 -18.608 -24.921 20.319 0.00 0.00 SOLV ATOM 18454 OH2 TIP3 4154 -11.468 -37.486 8.092 0.00 0.00 SOLV ATOM 18455 H1 TIP3 4154 -10.962 -36.722 8.210 0.00 0.00 SOLV ATOM 18456 H2 TIP3 4154 -11.203 -37.566 7.163 0.00 0.00 SOLV ATOM 18457 OH2 TIP3 4155 -14.616 -34.563 23.098 0.00 0.00 SOLV ATOM 18458 H1 TIP3 4155 -14.253 -33.974 22.399 0.00 0.00 SOLV ATOM 18459 H2 TIP3 4155 -13.886 -34.799 23.679 0.00 0.00 SOLV ATOM 18460 OH2 TIP3 4156 7.180 1.140 -8.287 0.00 0.00 SOLV ATOM 18461 H1 TIP3 4156 8.101 0.872 -8.409 0.00 0.00 SOLV ATOM 18462 H2 TIP3 4156 6.890 0.354 -7.730 0.00 0.00 SOLV ATOM 18463 OH2 TIP3 4157 4.679 -36.057 40.865 0.00 0.00 SOLV ATOM 18464 H1 TIP3 4157 4.868 -35.568 41.636 0.00 0.00 SOLV ATOM 18465 H2 TIP3 4157 4.879 -35.421 40.135 0.00 0.00 SOLV ATOM 18466 OH2 TIP3 4158 -11.602 -27.259 49.623 0.00 0.00 SOLV ATOM 18467 H1 TIP3 4158 -12.535 -26.960 49.535 0.00 0.00 SOLV ATOM 18468 H2 TIP3 4158 -11.658 -27.414 50.544 0.00 0.00 SOLV ATOM 18469 OH2 TIP3 4159 -21.212 -35.172 40.972 0.00 0.00 SOLV ATOM 18470 H1 TIP3 4159 -21.433 -34.383 40.365 0.00 0.00 SOLV ATOM 18471 H2 TIP3 4159 -21.946 -35.745 40.921 0.00 0.00 SOLV ATOM 18472 OH2 TIP3 4160 -15.363 -20.637 44.421 0.00 0.00 SOLV ATOM 18473 H1 TIP3 4160 -15.974 -20.929 45.137 0.00 0.00 SOLV ATOM 18474 H2 TIP3 4160 -14.586 -20.255 44.883 0.00 0.00 SOLV ATOM 18475 OH2 TIP3 4161 -1.569 -41.303 15.220 0.00 0.00 SOLV ATOM 18476 H1 TIP3 4161 -0.903 -41.053 14.580 0.00 0.00 SOLV ATOM 18477 H2 TIP3 4161 -2.307 -40.665 15.113 0.00 0.00 SOLV ATOM 18478 OH2 TIP3 4162 -22.834 -13.120 24.917 0.00 0.00 SOLV ATOM 18479 H1 TIP3 4162 -22.708 -13.467 25.832 0.00 0.00 SOLV ATOM 18480 H2 TIP3 4162 -23.521 -13.651 24.581 0.00 0.00 SOLV ATOM 18481 OH2 TIP3 4163 10.468 -38.099 17.005 0.00 0.00 SOLV ATOM 18482 H1 TIP3 4163 11.158 -37.604 16.494 0.00 0.00 SOLV ATOM 18483 H2 TIP3 4163 10.900 -38.911 17.213 0.00 0.00 SOLV ATOM 18484 OH2 TIP3 4164 -24.025 -31.427 32.566 0.00 0.00 SOLV ATOM 18485 H1 TIP3 4164 -24.222 -30.571 33.051 0.00 0.00 SOLV ATOM 18486 H2 TIP3 4164 -24.822 -31.680 32.069 0.00 0.00 SOLV ATOM 18487 OH2 TIP3 4165 -18.461 -24.380 24.201 0.00 0.00 SOLV ATOM 18488 H1 TIP3 4165 -17.961 -23.584 24.246 0.00 0.00 SOLV ATOM 18489 H2 TIP3 4165 -17.882 -24.939 24.677 0.00 0.00 SOLV ATOM 18490 OH2 TIP3 4166 -18.014 -34.490 20.020 0.00 0.00 SOLV ATOM 18491 H1 TIP3 4166 -18.536 -34.744 20.812 0.00 0.00 SOLV ATOM 18492 H2 TIP3 4166 -18.778 -34.392 19.375 0.00 0.00 SOLV ATOM 18493 OH2 TIP3 4167 -9.808 -24.839 42.277 0.00 0.00 SOLV ATOM 18494 H1 TIP3 4167 -9.838 -23.837 42.351 0.00 0.00 SOLV ATOM 18495 H2 TIP3 4167 -10.529 -25.065 42.983 0.00 0.00 SOLV ATOM 18496 OH2 TIP3 4168 -9.220 -40.246 32.718 0.00 0.00 SOLV ATOM 18497 H1 TIP3 4168 -8.435 -40.144 32.142 0.00 0.00 SOLV ATOM 18498 H2 TIP3 4168 -8.912 -40.048 33.624 0.00 0.00 SOLV ATOM 18499 OH2 TIP3 4169 -18.224 -25.874 45.910 0.00 0.00 SOLV ATOM 18500 H1 TIP3 4169 -18.470 -25.703 46.833 0.00 0.00 SOLV ATOM 18501 H2 TIP3 4169 -17.276 -26.169 45.995 0.00 0.00 SOLV ATOM 18502 OH2 TIP3 4170 -6.471 -18.206 49.946 0.00 0.00 SOLV ATOM 18503 H1 TIP3 4170 -5.690 -18.738 49.986 0.00 0.00 SOLV ATOM 18504 H2 TIP3 4170 -7.093 -18.667 50.522 0.00 0.00 SOLV ATOM 18505 OH2 TIP3 4171 -13.373 -12.299 50.382 0.00 0.00 SOLV ATOM 18506 H1 TIP3 4171 -13.330 -12.776 51.197 0.00 0.00 SOLV ATOM 18507 H2 TIP3 4171 -13.067 -11.463 50.618 0.00 0.00 SOLV ATOM 18508 OH2 TIP3 4172 -14.183 -22.407 50.441 0.00 0.00 SOLV ATOM 18509 H1 TIP3 4172 -13.329 -22.619 49.914 0.00 0.00 SOLV ATOM 18510 H2 TIP3 4172 -14.449 -23.264 50.878 0.00 0.00 SOLV ATOM 18511 OH2 TIP3 4173 -11.428 17.799 2.969 0.00 0.00 SOLV ATOM 18512 H1 TIP3 4173 -10.896 17.730 3.699 0.00 0.00 SOLV ATOM 18513 H2 TIP3 4173 -11.715 18.699 2.973 0.00 0.00 SOLV ATOM 18514 OH2 TIP3 4174 -22.839 -14.707 27.310 0.00 0.00 SOLV ATOM 18515 H1 TIP3 4174 -22.671 -15.592 27.618 0.00 0.00 SOLV ATOM 18516 H2 TIP3 4174 -22.984 -14.180 28.112 0.00 0.00 SOLV ATOM 18517 OH2 TIP3 4175 -19.025 -18.864 10.786 0.00 0.00 SOLV ATOM 18518 H1 TIP3 4175 -19.261 -19.130 11.662 0.00 0.00 SOLV ATOM 18519 H2 TIP3 4175 -19.233 -17.866 10.697 0.00 0.00 SOLV ATOM 18520 OH2 TIP3 4176 -20.639 -31.156 22.030 0.00 0.00 SOLV ATOM 18521 H1 TIP3 4176 -21.599 -31.290 22.128 0.00 0.00 SOLV ATOM 18522 H2 TIP3 4176 -20.382 -31.466 21.136 0.00 0.00 SOLV ATOM 18523 OH2 TIP3 4177 -10.467 -39.235 26.168 0.00 0.00 SOLV ATOM 18524 H1 TIP3 4177 -10.433 -38.300 26.362 0.00 0.00 SOLV ATOM 18525 H2 TIP3 4177 -11.409 -39.461 26.069 0.00 0.00 SOLV ATOM 18526 OH2 TIP3 4178 -25.275 -24.205 35.320 0.00 0.00 SOLV ATOM 18527 H1 TIP3 4178 -25.818 -24.945 35.141 0.00 0.00 SOLV ATOM 18528 H2 TIP3 4178 -24.748 -24.165 34.481 0.00 0.00 SOLV ATOM 18529 OH2 TIP3 4179 -7.884 -31.404 39.802 0.00 0.00 SOLV ATOM 18530 H1 TIP3 4179 -7.304 -31.834 40.461 0.00 0.00 SOLV ATOM 18531 H2 TIP3 4179 -7.307 -30.858 39.269 0.00 0.00 SOLV ATOM 18532 OH2 TIP3 4180 -23.720 -34.813 29.747 0.00 0.00 SOLV ATOM 18533 H1 TIP3 4180 -24.074 -35.151 28.913 0.00 0.00 SOLV ATOM 18534 H2 TIP3 4180 -22.809 -35.180 29.727 0.00 0.00 SOLV ATOM 18535 OH2 TIP3 4181 -13.305 -19.544 45.691 0.00 0.00 SOLV ATOM 18536 H1 TIP3 4181 -13.168 -18.894 46.360 0.00 0.00 SOLV ATOM 18537 H2 TIP3 4181 -12.702 -19.298 45.049 0.00 0.00 SOLV ATOM 18538 OH2 TIP3 4182 -9.436 -36.313 47.094 0.00 0.00 SOLV ATOM 18539 H1 TIP3 4182 -10.196 -36.309 47.681 0.00 0.00 SOLV ATOM 18540 H2 TIP3 4182 -9.693 -35.706 46.378 0.00 0.00 SOLV ATOM 18541 OH2 TIP3 4183 -5.538 -12.685 49.569 0.00 0.00 SOLV ATOM 18542 H1 TIP3 4183 -5.146 -11.847 49.898 0.00 0.00 SOLV ATOM 18543 H2 TIP3 4183 -5.903 -13.126 50.334 0.00 0.00 SOLV ATOM 18544 OH2 TIP3 4184 -12.989 -34.269 48.032 0.00 0.00 SOLV ATOM 18545 H1 TIP3 4184 -12.401 -35.009 48.334 0.00 0.00 SOLV ATOM 18546 H2 TIP3 4184 -13.858 -34.433 48.444 0.00 0.00 SOLV ATOM 18547 OH2 TIP3 4185 2.199 -7.075 40.928 0.00 0.00 SOLV ATOM 18548 H1 TIP3 4185 1.374 -7.384 40.467 0.00 0.00 SOLV ATOM 18549 H2 TIP3 4185 2.259 -6.227 40.456 0.00 0.00 SOLV ATOM 18550 OH2 TIP3 4186 -15.390 -29.911 43.014 0.00 0.00 SOLV ATOM 18551 H1 TIP3 4186 -16.108 -29.302 42.792 0.00 0.00 SOLV ATOM 18552 H2 TIP3 4186 -15.893 -30.675 43.378 0.00 0.00 SOLV ATOM 18553 OH2 TIP3 4187 -14.734 -17.638 33.272 0.00 0.00 SOLV ATOM 18554 H1 TIP3 4187 -14.612 -17.122 34.146 0.00 0.00 SOLV ATOM 18555 H2 TIP3 4187 -15.096 -18.444 33.546 0.00 0.00 SOLV ATOM 18556 OH2 TIP3 4188 -9.964 -29.833 41.412 0.00 0.00 SOLV ATOM 18557 H1 TIP3 4188 -10.071 -29.967 42.373 0.00 0.00 SOLV ATOM 18558 H2 TIP3 4188 -9.026 -30.012 41.331 0.00 0.00 SOLV ATOM 18559 OH2 TIP3 4189 -16.616 -17.047 47.470 0.00 0.00 SOLV ATOM 18560 H1 TIP3 4189 -16.124 -16.872 46.632 0.00 0.00 SOLV ATOM 18561 H2 TIP3 4189 -15.996 -16.682 48.121 0.00 0.00 SOLV ATOM 18562 OH2 TIP3 4190 -9.231 -27.158 54.092 0.00 0.00 SOLV ATOM 18563 H1 TIP3 4190 -9.076 -27.139 55.017 0.00 0.00 SOLV ATOM 18564 H2 TIP3 4190 -8.492 -26.636 53.795 0.00 0.00 SOLV ATOM 18565 OH2 TIP3 4191 -4.852 -17.990 52.516 0.00 0.00 SOLV ATOM 18566 H1 TIP3 4191 -5.129 -18.863 52.247 0.00 0.00 SOLV ATOM 18567 H2 TIP3 4191 -4.842 -17.467 51.676 0.00 0.00 SOLV ATOM 18568 OH2 TIP3 4192 -4.479 -27.729 48.924 0.00 0.00 SOLV ATOM 18569 H1 TIP3 4192 -4.501 -27.001 48.319 0.00 0.00 SOLV ATOM 18570 H2 TIP3 4192 -5.368 -27.970 49.007 0.00 0.00 SOLV ATOM 18571 OH2 TIP3 4193 -12.956 -30.600 9.941 0.00 0.00 SOLV ATOM 18572 H1 TIP3 4193 -13.073 -29.870 9.195 0.00 0.00 SOLV ATOM 18573 H2 TIP3 4193 -13.841 -30.823 10.234 0.00 0.00 SOLV ATOM 18574 OH2 TIP3 4194 -18.557 -15.401 16.301 0.00 0.00 SOLV ATOM 18575 H1 TIP3 4194 -18.572 -15.930 17.163 0.00 0.00 SOLV ATOM 18576 H2 TIP3 4194 -17.621 -15.146 16.218 0.00 0.00 SOLV ATOM 18577 OH2 TIP3 4195 -20.658 -25.430 13.769 0.00 0.00 SOLV ATOM 18578 H1 TIP3 4195 -19.690 -25.443 13.630 0.00 0.00 SOLV ATOM 18579 H2 TIP3 4195 -20.948 -24.956 12.987 0.00 0.00 SOLV ATOM 18580 OH2 TIP3 4196 -10.800 -24.215 15.496 0.00 0.00 SOLV ATOM 18581 H1 TIP3 4196 -11.380 -23.600 16.006 0.00 0.00 SOLV ATOM 18582 H2 TIP3 4196 -9.933 -24.041 15.917 0.00 0.00 SOLV ATOM 18583 OH2 TIP3 4197 -9.904 -42.224 31.076 0.00 0.00 SOLV ATOM 18584 H1 TIP3 4197 -9.012 -42.476 30.684 0.00 0.00 SOLV ATOM 18585 H2 TIP3 4197 -9.677 -41.607 31.755 0.00 0.00 SOLV ATOM 18586 OH2 TIP3 4198 -14.903 -31.692 25.994 0.00 0.00 SOLV ATOM 18587 H1 TIP3 4198 -15.648 -31.584 26.646 0.00 0.00 SOLV ATOM 18588 H2 TIP3 4198 -14.532 -30.778 26.004 0.00 0.00 SOLV ATOM 18589 OH2 TIP3 4199 -3.009 -16.555 54.205 0.00 0.00 SOLV ATOM 18590 H1 TIP3 4199 -2.867 -16.848 55.164 0.00 0.00 SOLV ATOM 18591 H2 TIP3 4199 -3.472 -17.356 53.794 0.00 0.00 SOLV ATOM 18592 OH2 TIP3 4200 -17.829 -17.082 42.833 0.00 0.00 SOLV ATOM 18593 H1 TIP3 4200 -17.783 -17.924 42.391 0.00 0.00 SOLV ATOM 18594 H2 TIP3 4200 -16.877 -16.756 42.772 0.00 0.00 SOLV ATOM 18595 OH2 TIP3 4201 5.353 -10.419 45.238 0.00 0.00 SOLV ATOM 18596 H1 TIP3 4201 4.504 -10.184 45.612 0.00 0.00 SOLV ATOM 18597 H2 TIP3 4201 5.853 -10.842 45.944 0.00 0.00 SOLV ATOM 18598 OH2 TIP3 4202 -17.320 -27.591 36.169 0.00 0.00 SOLV ATOM 18599 H1 TIP3 4202 -16.724 -26.810 36.032 0.00 0.00 SOLV ATOM 18600 H2 TIP3 4202 -18.100 -27.217 36.509 0.00 0.00 SOLV ATOM 18601 OH2 TIP3 4203 10.856 -10.264 26.669 0.00 0.00 SOLV ATOM 18602 H1 TIP3 4203 11.044 -10.289 27.602 0.00 0.00 SOLV ATOM 18603 H2 TIP3 4203 10.681 -11.198 26.471 0.00 0.00 SOLV ATOM 18604 OH2 TIP3 4204 -12.370 -24.279 26.707 0.00 0.00 SOLV ATOM 18605 H1 TIP3 4204 -12.713 -25.142 26.874 0.00 0.00 SOLV ATOM 18606 H2 TIP3 4204 -13.007 -23.738 26.172 0.00 0.00 SOLV ATOM 18607 OH2 TIP3 4205 -9.844 -24.567 8.537 0.00 0.00 SOLV ATOM 18608 H1 TIP3 4205 -10.154 -24.819 9.421 0.00 0.00 SOLV ATOM 18609 H2 TIP3 4205 -9.104 -25.169 8.497 0.00 0.00 SOLV ATOM 18610 OH2 TIP3 4206 -11.893 -11.186 14.998 0.00 0.00 SOLV ATOM 18611 H1 TIP3 4206 -11.268 -11.934 15.110 0.00 0.00 SOLV ATOM 18612 H2 TIP3 4206 -11.280 -10.435 15.199 0.00 0.00 SOLV ATOM 18613 OH2 TIP3 4207 -20.265 -29.181 34.548 0.00 0.00 SOLV ATOM 18614 H1 TIP3 4207 -21.115 -29.007 34.848 0.00 0.00 SOLV ATOM 18615 H2 TIP3 4207 -20.234 -28.637 33.722 0.00 0.00 SOLV ATOM 18616 OH2 TIP3 4208 -0.121 -7.656 39.670 0.00 0.00 SOLV ATOM 18617 H1 TIP3 4208 -1.046 -7.822 39.527 0.00 0.00 SOLV ATOM 18618 H2 TIP3 4208 0.174 -8.590 39.652 0.00 0.00 SOLV ATOM 18619 OH2 TIP3 4209 -20.200 -3.119 31.819 0.00 0.00 SOLV ATOM 18620 H1 TIP3 4209 -19.985 -3.800 31.141 0.00 0.00 SOLV ATOM 18621 H2 TIP3 4209 -19.302 -2.933 32.158 0.00 0.00 SOLV ATOM 18622 OH2 TIP3 4210 -19.443 -19.262 32.105 0.00 0.00 SOLV ATOM 18623 H1 TIP3 4210 -19.726 -20.023 32.621 0.00 0.00 SOLV ATOM 18624 H2 TIP3 4210 -18.663 -19.699 31.600 0.00 0.00 SOLV ATOM 18625 OH2 TIP3 4211 -4.718 -9.683 44.192 0.00 0.00 SOLV ATOM 18626 H1 TIP3 4211 -4.891 -10.625 44.173 0.00 0.00 SOLV ATOM 18627 H2 TIP3 4211 -4.801 -9.524 45.143 0.00 0.00 SOLV ATOM 18628 OH2 TIP3 4212 -12.172 -16.934 46.858 0.00 0.00 SOLV ATOM 18629 H1 TIP3 4212 -12.065 -16.311 46.111 0.00 0.00 SOLV ATOM 18630 H2 TIP3 4212 -12.040 -16.379 47.589 0.00 0.00 SOLV ATOM 18631 OH2 TIP3 4213 -5.299 -15.825 50.609 0.00 0.00 SOLV ATOM 18632 H1 TIP3 4213 -5.762 -16.576 50.190 0.00 0.00 SOLV ATOM 18633 H2 TIP3 4213 -6.010 -15.218 50.832 0.00 0.00 SOLV ATOM 18634 OH2 TIP3 4214 -14.156 -25.502 9.398 0.00 0.00 SOLV ATOM 18635 H1 TIP3 4214 -14.357 -24.581 9.557 0.00 0.00 SOLV ATOM 18636 H2 TIP3 4214 -14.463 -25.982 10.206 0.00 0.00 SOLV ATOM 18637 OH2 TIP3 4215 -18.999 -14.993 21.507 0.00 0.00 SOLV ATOM 18638 H1 TIP3 4215 -18.553 -14.328 20.944 0.00 0.00 SOLV ATOM 18639 H2 TIP3 4215 -18.780 -14.660 22.378 0.00 0.00 SOLV ATOM 18640 OH2 TIP3 4216 -17.650 -23.574 10.068 0.00 0.00 SOLV ATOM 18641 H1 TIP3 4216 -16.864 -23.333 9.495 0.00 0.00 SOLV ATOM 18642 H2 TIP3 4216 -18.315 -22.842 9.769 0.00 0.00 SOLV ATOM 18643 OH2 TIP3 4217 -19.645 -21.900 39.844 0.00 0.00 SOLV ATOM 18644 H1 TIP3 4217 -20.020 -22.699 40.270 0.00 0.00 SOLV ATOM 18645 H2 TIP3 4217 -20.158 -21.153 40.231 0.00 0.00 SOLV ATOM 18646 OH2 TIP3 4218 -13.868 -12.117 -3.360 0.00 0.00 SOLV ATOM 18647 H1 TIP3 4218 -13.110 -12.694 -3.510 0.00 0.00 SOLV ATOM 18648 H2 TIP3 4218 -14.463 -12.648 -2.836 0.00 0.00 SOLV ATOM 18649 OH2 TIP3 4219 -20.964 -15.018 47.056 0.00 0.00 SOLV ATOM 18650 H1 TIP3 4219 -20.797 -14.087 47.175 0.00 0.00 SOLV ATOM 18651 H2 TIP3 4219 -20.286 -15.263 46.401 0.00 0.00 SOLV ATOM 18652 OH2 TIP3 4220 4.052 -26.048 35.048 0.00 0.00 SOLV ATOM 18653 H1 TIP3 4220 3.819 -25.240 35.525 0.00 0.00 SOLV ATOM 18654 H2 TIP3 4220 3.260 -26.596 35.018 0.00 0.00 SOLV ATOM 18655 OH2 TIP3 4221 -12.570 -6.183 46.938 0.00 0.00 SOLV ATOM 18656 H1 TIP3 4221 -12.297 -6.093 47.851 0.00 0.00 SOLV ATOM 18657 H2 TIP3 4221 -11.722 -5.866 46.500 0.00 0.00 SOLV ATOM 18658 OH2 TIP3 4222 4.843 -9.488 52.236 0.00 0.00 SOLV ATOM 18659 H1 TIP3 4222 4.706 -8.936 53.073 0.00 0.00 SOLV ATOM 18660 H2 TIP3 4222 4.847 -8.830 51.479 0.00 0.00 SOLV ATOM 18661 OH2 TIP3 4223 -4.460 -25.375 9.758 0.00 0.00 SOLV ATOM 18662 H1 TIP3 4223 -4.051 -24.709 10.289 0.00 0.00 SOLV ATOM 18663 H2 TIP3 4223 -4.744 -24.906 8.938 0.00 0.00 SOLV ATOM 18664 OH2 TIP3 4224 -2.939 -7.954 37.301 0.00 0.00 SOLV ATOM 18665 H1 TIP3 4224 -2.747 -8.629 36.569 0.00 0.00 SOLV ATOM 18666 H2 TIP3 4224 -3.132 -7.134 36.777 0.00 0.00 SOLV ATOM 18667 OH2 TIP3 4225 13.608 -18.256 24.413 0.00 0.00 SOLV ATOM 18668 H1 TIP3 4225 14.399 -18.620 24.872 0.00 0.00 SOLV ATOM 18669 H2 TIP3 4225 12.788 -18.772 24.709 0.00 0.00 SOLV ATOM 18670 OH2 TIP3 4226 -6.710 -8.381 51.792 0.00 0.00 SOLV ATOM 18671 H1 TIP3 4226 -7.383 -8.861 52.278 0.00 0.00 SOLV ATOM 18672 H2 TIP3 4226 -6.239 -7.925 52.525 0.00 0.00 SOLV ATOM 18673 OH2 TIP3 4227 -4.384 -4.788 48.511 0.00 0.00 SOLV ATOM 18674 H1 TIP3 4227 -4.648 -4.003 49.042 0.00 0.00 SOLV ATOM 18675 H2 TIP3 4227 -4.661 -5.529 49.136 0.00 0.00 SOLV ATOM 18676 OH2 TIP3 4228 -15.659 -14.953 42.594 0.00 0.00 SOLV ATOM 18677 H1 TIP3 4228 -15.973 -14.181 41.998 0.00 0.00 SOLV ATOM 18678 H2 TIP3 4228 -15.214 -15.490 41.921 0.00 0.00 SOLV ATOM 18679 OH2 TIP3 4229 -7.309 -19.804 51.938 0.00 0.00 SOLV ATOM 18680 H1 TIP3 4229 -8.187 -19.724 52.261 0.00 0.00 SOLV ATOM 18681 H2 TIP3 4229 -6.844 -20.128 52.726 0.00 0.00 SOLV ATOM 18682 OH2 TIP3 4230 -25.887 -14.732 14.855 0.00 0.00 SOLV ATOM 18683 H1 TIP3 4230 -26.450 -15.493 15.074 0.00 0.00 SOLV ATOM 18684 H2 TIP3 4230 -25.811 -14.298 15.734 0.00 0.00 SOLV ATOM 18685 OH2 TIP3 4231 -20.091 -16.105 29.065 0.00 0.00 SOLV ATOM 18686 H1 TIP3 4231 -20.389 -15.457 29.762 0.00 0.00 SOLV ATOM 18687 H2 TIP3 4231 -20.617 -16.871 29.341 0.00 0.00 SOLV ATOM 18688 OH2 TIP3 4232 -24.856 -12.477 31.350 0.00 0.00 SOLV ATOM 18689 H1 TIP3 4232 -23.991 -12.454 30.810 0.00 0.00 SOLV ATOM 18690 H2 TIP3 4232 -24.911 -11.583 31.725 0.00 0.00 SOLV ATOM 18691 OH2 TIP3 4233 -6.862 -11.846 42.527 0.00 0.00 SOLV ATOM 18692 H1 TIP3 4233 -7.666 -12.381 42.303 0.00 0.00 SOLV ATOM 18693 H2 TIP3 4233 -6.747 -12.097 43.468 0.00 0.00 SOLV ATOM 18694 OH2 TIP3 4234 4.427 -29.232 14.852 0.00 0.00 SOLV ATOM 18695 H1 TIP3 4234 4.480 -28.301 14.981 0.00 0.00 SOLV ATOM 18696 H2 TIP3 4234 4.337 -29.318 13.892 0.00 0.00 SOLV ATOM 18697 OH2 TIP3 4235 -9.739 4.853 35.484 0.00 0.00 SOLV ATOM 18698 H1 TIP3 4235 -9.597 3.929 35.521 0.00 0.00 SOLV ATOM 18699 H2 TIP3 4235 -9.210 5.076 34.670 0.00 0.00 SOLV ATOM 18700 OH2 TIP3 4236 -12.414 -4.349 33.880 0.00 0.00 SOLV ATOM 18701 H1 TIP3 4236 -12.722 -4.970 34.557 0.00 0.00 SOLV ATOM 18702 H2 TIP3 4236 -12.951 -4.566 33.075 0.00 0.00 SOLV ATOM 18703 OH2 TIP3 4237 -24.691 -8.565 42.510 0.00 0.00 SOLV ATOM 18704 H1 TIP3 4237 -24.835 -9.031 43.370 0.00 0.00 SOLV ATOM 18705 H2 TIP3 4237 -24.162 -7.748 42.670 0.00 0.00 SOLV ATOM 18706 OH2 TIP3 4238 9.159 -8.967 38.542 0.00 0.00 SOLV ATOM 18707 H1 TIP3 4238 9.844 -9.485 38.065 0.00 0.00 SOLV ATOM 18708 H2 TIP3 4238 9.750 -8.499 39.176 0.00 0.00 SOLV ATOM 18709 OH2 TIP3 4239 -22.154 -8.363 47.229 0.00 0.00 SOLV ATOM 18710 H1 TIP3 4239 -22.975 -8.293 47.789 0.00 0.00 SOLV ATOM 18711 H2 TIP3 4239 -21.562 -7.661 47.517 0.00 0.00 SOLV ATOM 18712 OH2 TIP3 4240 -3.686 -30.853 13.852 0.00 0.00 SOLV ATOM 18713 H1 TIP3 4240 -3.716 -30.028 13.493 0.00 0.00 SOLV ATOM 18714 H2 TIP3 4240 -3.659 -31.445 13.094 0.00 0.00 SOLV ATOM 18715 OH2 TIP3 4241 8.903 -18.651 14.618 0.00 0.00 SOLV ATOM 18716 H1 TIP3 4241 8.797 -17.762 14.989 0.00 0.00 SOLV ATOM 18717 H2 TIP3 4241 8.559 -19.208 15.349 0.00 0.00 SOLV ATOM 18718 OH2 TIP3 4242 -1.918 8.369 32.635 0.00 0.00 SOLV ATOM 18719 H1 TIP3 4242 -2.509 7.648 32.256 0.00 0.00 SOLV ATOM 18720 H2 TIP3 4242 -1.045 7.913 32.608 0.00 0.00 SOLV ATOM 18721 OH2 TIP3 4243 -1.682 5.385 38.587 0.00 0.00 SOLV ATOM 18722 H1 TIP3 4243 -1.453 4.978 39.421 0.00 0.00 SOLV ATOM 18723 H2 TIP3 4243 -1.967 4.626 38.002 0.00 0.00 SOLV ATOM 18724 OH2 TIP3 4244 -2.022 1.815 39.230 0.00 0.00 SOLV ATOM 18725 H1 TIP3 4244 -2.297 2.325 39.960 0.00 0.00 SOLV ATOM 18726 H2 TIP3 4244 -2.866 1.515 38.847 0.00 0.00 SOLV ATOM 18727 OH2 TIP3 4245 -4.270 -12.110 27.660 0.00 0.00 SOLV ATOM 18728 H1 TIP3 4245 -3.915 -11.856 26.806 0.00 0.00 SOLV ATOM 18729 H2 TIP3 4245 -5.220 -11.999 27.560 0.00 0.00 SOLV ATOM 18730 OH2 TIP3 4246 -12.872 5.044 40.369 0.00 0.00 SOLV ATOM 18731 H1 TIP3 4246 -13.092 4.289 39.720 0.00 0.00 SOLV ATOM 18732 H2 TIP3 4246 -11.953 4.891 40.613 0.00 0.00 SOLV ATOM 18733 OH2 TIP3 4247 -13.527 -8.593 49.280 0.00 0.00 SOLV ATOM 18734 H1 TIP3 4247 -13.572 -9.253 48.563 0.00 0.00 SOLV ATOM 18735 H2 TIP3 4247 -13.161 -7.804 48.880 0.00 0.00 SOLV ATOM 18736 OH2 TIP3 4248 -3.993 -14.180 53.046 0.00 0.00 SOLV ATOM 18737 H1 TIP3 4248 -4.811 -14.470 52.701 0.00 0.00 SOLV ATOM 18738 H2 TIP3 4248 -3.774 -15.020 53.465 0.00 0.00 SOLV ATOM 18739 OH2 TIP3 4249 -16.470 -4.665 9.927 0.00 0.00 SOLV ATOM 18740 H1 TIP3 4249 -17.201 -4.062 9.887 0.00 0.00 SOLV ATOM 18741 H2 TIP3 4249 -15.759 -4.010 9.786 0.00 0.00 SOLV ATOM 18742 OH2 TIP3 4250 -21.161 -6.034 17.167 0.00 0.00 SOLV ATOM 18743 H1 TIP3 4250 -20.658 -6.766 17.588 0.00 0.00 SOLV ATOM 18744 H2 TIP3 4250 -21.393 -6.416 16.262 0.00 0.00 SOLV ATOM 18745 OH2 TIP3 4251 -25.588 -13.395 20.481 0.00 0.00 SOLV ATOM 18746 H1 TIP3 4251 -25.650 -13.836 19.611 0.00 0.00 SOLV ATOM 18747 H2 TIP3 4251 -25.267 -14.067 21.074 0.00 0.00 SOLV ATOM 18748 OH2 TIP3 4252 -17.835 -1.820 32.765 0.00 0.00 SOLV ATOM 18749 H1 TIP3 4252 -17.176 -2.325 33.296 0.00 0.00 SOLV ATOM 18750 H2 TIP3 4252 -17.810 -0.986 33.195 0.00 0.00 SOLV ATOM 18751 OH2 TIP3 4253 -18.329 9.095 22.183 0.00 0.00 SOLV ATOM 18752 H1 TIP3 4253 -18.266 10.019 21.970 0.00 0.00 SOLV ATOM 18753 H2 TIP3 4253 -17.437 8.800 22.075 0.00 0.00 SOLV ATOM 18754 OH2 TIP3 4254 -11.890 -2.163 45.244 0.00 0.00 SOLV ATOM 18755 H1 TIP3 4254 -11.147 -2.405 45.782 0.00 0.00 SOLV ATOM 18756 H2 TIP3 4254 -12.143 -1.241 45.569 0.00 0.00 SOLV ATOM 18757 OH2 TIP3 4255 -19.714 -27.758 48.489 0.00 0.00 SOLV ATOM 18758 H1 TIP3 4255 -20.601 -27.502 48.760 0.00 0.00 SOLV ATOM 18759 H2 TIP3 4255 -19.787 -28.253 47.694 0.00 0.00 SOLV ATOM 18760 OH2 TIP3 4256 -21.586 -14.098 19.817 0.00 0.00 SOLV ATOM 18761 H1 TIP3 4256 -21.815 -15.078 19.877 0.00 0.00 SOLV ATOM 18762 H2 TIP3 4256 -21.075 -13.868 20.569 0.00 0.00 SOLV ATOM 18763 OH2 TIP3 4257 -13.467 -10.487 36.774 0.00 0.00 SOLV ATOM 18764 H1 TIP3 4257 -12.850 -10.755 37.475 0.00 0.00 SOLV ATOM 18765 H2 TIP3 4257 -12.973 -10.750 35.965 0.00 0.00 SOLV ATOM 18766 OH2 TIP3 4258 -28.859 -16.953 20.626 0.00 0.00 SOLV ATOM 18767 H1 TIP3 4258 -28.801 -16.406 19.756 0.00 0.00 SOLV ATOM 18768 H2 TIP3 4258 -27.883 -16.852 20.899 0.00 0.00 SOLV ATOM 18769 OH2 TIP3 4259 -22.876 15.005 16.966 0.00 0.00 SOLV ATOM 18770 H1 TIP3 4259 -23.729 14.597 16.930 0.00 0.00 SOLV ATOM 18771 H2 TIP3 4259 -23.126 15.689 17.735 0.00 0.00 SOLV ATOM 18772 OH2 TIP3 4260 -11.345 -18.366 44.237 0.00 0.00 SOLV ATOM 18773 H1 TIP3 4260 -10.582 -17.745 44.157 0.00 0.00 SOLV ATOM 18774 H2 TIP3 4260 -10.885 -19.241 44.393 0.00 0.00 SOLV ATOM 18775 OH2 TIP3 4261 -11.987 -4.341 30.352 0.00 0.00 SOLV ATOM 18776 H1 TIP3 4261 -12.835 -4.565 30.869 0.00 0.00 SOLV ATOM 18777 H2 TIP3 4261 -11.433 -4.966 30.767 0.00 0.00 SOLV ATOM 18778 OH2 TIP3 4262 -3.115 9.429 35.227 0.00 0.00 SOLV ATOM 18779 H1 TIP3 4262 -3.714 8.740 35.619 0.00 0.00 SOLV ATOM 18780 H2 TIP3 4262 -2.661 8.914 34.560 0.00 0.00 SOLV ATOM 18781 OH2 TIP3 4263 -26.325 0.779 40.491 0.00 0.00 SOLV ATOM 18782 H1 TIP3 4263 -26.458 -0.104 40.917 0.00 0.00 SOLV ATOM 18783 H2 TIP3 4263 -26.106 0.504 39.598 0.00 0.00 SOLV ATOM 18784 OH2 TIP3 4264 12.541 -20.731 33.743 0.00 0.00 SOLV ATOM 18785 H1 TIP3 4264 12.496 -20.338 34.639 0.00 0.00 SOLV ATOM 18786 H2 TIP3 4264 13.107 -20.100 33.272 0.00 0.00 SOLV ATOM 18787 OH2 TIP3 4265 14.508 -16.486 26.840 0.00 0.00 SOLV ATOM 18788 H1 TIP3 4265 15.236 -17.017 26.517 0.00 0.00 SOLV ATOM 18789 H2 TIP3 4265 13.696 -17.047 26.721 0.00 0.00 SOLV ATOM 18790 OH2 TIP3 4266 -10.346 -18.798 46.904 0.00 0.00 SOLV ATOM 18791 H1 TIP3 4266 -11.079 -18.269 46.684 0.00 0.00 SOLV ATOM 18792 H2 TIP3 4266 -9.677 -18.137 46.912 0.00 0.00 SOLV ATOM 18793 OH2 TIP3 4267 -20.334 -10.422 17.233 0.00 0.00 SOLV ATOM 18794 H1 TIP3 4267 -20.843 -10.509 16.451 0.00 0.00 SOLV ATOM 18795 H2 TIP3 4267 -20.196 -11.373 17.430 0.00 0.00 SOLV ATOM 18796 OH2 TIP3 4268 -20.525 1.422 43.128 0.00 0.00 SOLV ATOM 18797 H1 TIP3 4268 -21.048 2.186 42.793 0.00 0.00 SOLV ATOM 18798 H2 TIP3 4268 -21.206 0.760 43.321 0.00 0.00 SOLV ATOM 18799 OH2 TIP3 4269 -8.513 -18.696 41.979 0.00 0.00 SOLV ATOM 18800 H1 TIP3 4269 -7.793 -18.151 41.659 0.00 0.00 SOLV ATOM 18801 H2 TIP3 4269 -9.152 -18.667 41.193 0.00 0.00 SOLV ATOM 18802 OH2 TIP3 4270 -9.365 6.807 38.983 0.00 0.00 SOLV ATOM 18803 H1 TIP3 4270 -9.766 6.055 38.578 0.00 0.00 SOLV ATOM 18804 H2 TIP3 4270 -9.871 6.954 39.813 0.00 0.00 SOLV ATOM 18805 OH2 TIP3 4271 -21.248 2.983 37.948 0.00 0.00 SOLV ATOM 18806 H1 TIP3 4271 -20.343 2.578 37.776 0.00 0.00 SOLV ATOM 18807 H2 TIP3 4271 -21.309 3.792 37.480 0.00 0.00 SOLV ATOM 18808 OH2 TIP3 4272 -18.601 3.413 39.340 0.00 0.00 SOLV ATOM 18809 H1 TIP3 4272 -18.905 4.104 39.931 0.00 0.00 SOLV ATOM 18810 H2 TIP3 4272 -18.652 2.601 39.843 0.00 0.00 SOLV ATOM 18811 OH2 TIP3 4273 -20.647 -17.350 33.702 0.00 0.00 SOLV ATOM 18812 H1 TIP3 4273 -20.115 -17.498 34.443 0.00 0.00 SOLV ATOM 18813 H2 TIP3 4273 -20.325 -17.983 33.104 0.00 0.00 SOLV ATOM 18814 OH2 TIP3 4274 -23.969 -7.407 33.209 0.00 0.00 SOLV ATOM 18815 H1 TIP3 4274 -24.047 -6.924 34.068 0.00 0.00 SOLV ATOM 18816 H2 TIP3 4274 -22.973 -7.328 32.953 0.00 0.00 SOLV ATOM 18817 OH2 TIP3 4275 -7.160 10.552 36.675 0.00 0.00 SOLV ATOM 18818 H1 TIP3 4275 -6.736 11.111 37.316 0.00 0.00 SOLV ATOM 18819 H2 TIP3 4275 -7.796 10.075 37.172 0.00 0.00 SOLV ATOM 18820 OH2 TIP3 4276 -7.242 8.624 34.373 0.00 0.00 SOLV ATOM 18821 H1 TIP3 4276 -7.154 9.435 33.816 0.00 0.00 SOLV ATOM 18822 H2 TIP3 4276 -7.511 9.006 35.174 0.00 0.00 SOLV ATOM 18823 OH2 TIP3 4277 -26.570 -0.947 33.986 0.00 0.00 SOLV ATOM 18824 H1 TIP3 4277 -26.070 -1.737 33.930 0.00 0.00 SOLV ATOM 18825 H2 TIP3 4277 -27.114 -0.926 33.179 0.00 0.00 SOLV ATOM 18826 OH2 TIP3 4278 -3.779 17.509 13.620 0.00 0.00 SOLV ATOM 18827 H1 TIP3 4278 -3.852 16.539 13.549 0.00 0.00 SOLV ATOM 18828 H2 TIP3 4278 -3.196 17.569 14.368 0.00 0.00 SOLV ATOM 18829 OH2 TIP3 4279 -16.451 0.267 43.053 0.00 0.00 SOLV ATOM 18830 H1 TIP3 4279 -16.273 0.760 43.880 0.00 0.00 SOLV ATOM 18831 H2 TIP3 4279 -16.211 -0.689 43.214 0.00 0.00 SOLV ATOM 18832 OH2 TIP3 4280 -21.135 13.817 15.210 0.00 0.00 SOLV ATOM 18833 H1 TIP3 4280 -20.466 14.513 15.373 0.00 0.00 SOLV ATOM 18834 H2 TIP3 4280 -21.829 14.100 15.814 0.00 0.00 SOLV ATOM 18835 OH2 TIP3 4281 -2.025 10.980 8.080 0.00 0.00 SOLV ATOM 18836 H1 TIP3 4281 -2.932 10.612 8.172 0.00 0.00 SOLV ATOM 18837 H2 TIP3 4281 -2.087 11.885 8.380 0.00 0.00 SOLV ATOM 18838 OH2 TIP3 4282 -7.750 16.306 18.680 0.00 0.00 SOLV ATOM 18839 H1 TIP3 4282 -8.264 16.126 19.495 0.00 0.00 SOLV ATOM 18840 H2 TIP3 4282 -6.873 16.018 18.892 0.00 0.00 SOLV ATOM 18841 OH2 TIP3 4283 -13.317 -4.182 43.683 0.00 0.00 SOLV ATOM 18842 H1 TIP3 4283 -13.967 -4.954 43.785 0.00 0.00 SOLV ATOM 18843 H2 TIP3 4283 -13.109 -3.896 44.613 0.00 0.00 SOLV ATOM 18844 OH2 TIP3 4284 -17.616 -42.603 26.825 0.00 0.00 SOLV ATOM 18845 H1 TIP3 4284 -17.519 -42.468 27.749 0.00 0.00 SOLV ATOM 18846 H2 TIP3 4284 -18.489 -43.056 26.837 0.00 0.00 SOLV ATOM 18847 OH2 TIP3 4285 -33.939 13.963 22.829 0.00 0.00 SOLV ATOM 18848 H1 TIP3 4285 -33.838 13.863 23.788 0.00 0.00 SOLV ATOM 18849 H2 TIP3 4285 -33.630 13.141 22.474 0.00 0.00 SOLV ATOM 18850 OH2 TIP3 4286 -5.151 1.772 40.188 0.00 0.00 SOLV ATOM 18851 H1 TIP3 4286 -5.600 1.875 41.035 0.00 0.00 SOLV ATOM 18852 H2 TIP3 4286 -5.457 0.914 39.836 0.00 0.00 SOLV ATOM 18853 OH2 TIP3 4287 -7.337 6.489 26.880 0.00 0.00 SOLV ATOM 18854 H1 TIP3 4287 -7.963 5.794 26.671 0.00 0.00 SOLV ATOM 18855 H2 TIP3 4287 -7.973 7.230 27.173 0.00 0.00 SOLV ATOM 18856 OH2 TIP3 4288 -25.184 13.389 8.696 0.00 0.00 SOLV ATOM 18857 H1 TIP3 4288 -25.638 14.248 8.772 0.00 0.00 SOLV ATOM 18858 H2 TIP3 4288 -25.965 12.818 8.922 0.00 0.00 SOLV ATOM 18859 OH2 TIP3 4289 -10.491 7.350 36.056 0.00 0.00 SOLV ATOM 18860 H1 TIP3 4289 -11.273 7.083 36.552 0.00 0.00 SOLV ATOM 18861 H2 TIP3 4289 -10.078 6.528 35.742 0.00 0.00 SOLV ATOM 18862 OH2 TIP3 4290 2.650 16.606 29.662 0.00 0.00 SOLV ATOM 18863 H1 TIP3 4290 3.115 16.904 28.849 0.00 0.00 SOLV ATOM 18864 H2 TIP3 4290 1.818 17.124 29.677 0.00 0.00 SOLV ATOM 18865 OH2 TIP3 4291 4.669 -43.463 18.687 0.00 0.00 SOLV ATOM 18866 H1 TIP3 4291 4.855 -44.369 18.390 0.00 0.00 SOLV ATOM 18867 H2 TIP3 4291 4.089 -43.208 17.994 0.00 0.00 SOLV ATOM 18868 OH2 TIP3 4292 -14.236 14.294 31.169 0.00 0.00 SOLV ATOM 18869 H1 TIP3 4292 -13.235 14.343 31.027 0.00 0.00 SOLV ATOM 18870 H2 TIP3 4292 -14.392 13.370 31.266 0.00 0.00 SOLV ATOM 18871 OH2 TIP3 4293 -12.358 15.955 33.413 0.00 0.00 SOLV ATOM 18872 H1 TIP3 4293 -12.918 16.305 32.732 0.00 0.00 SOLV ATOM 18873 H2 TIP3 4293 -12.651 15.074 33.479 0.00 0.00 SOLV ATOM 18874 OH2 TIP3 4294 -25.798 9.042 15.165 0.00 0.00 SOLV ATOM 18875 H1 TIP3 4294 -25.421 8.610 14.351 0.00 0.00 SOLV ATOM 18876 H2 TIP3 4294 -26.210 9.865 14.824 0.00 0.00 SOLV ATOM 18877 OH2 TIP3 4295 -21.939 14.633 8.720 0.00 0.00 SOLV ATOM 18878 H1 TIP3 4295 -21.246 14.200 9.193 0.00 0.00 SOLV ATOM 18879 H2 TIP3 4295 -22.069 14.010 7.953 0.00 0.00 SOLV ATOM 18880 OH2 TIP3 4296 -17.600 -40.608 17.723 0.00 0.00 SOLV ATOM 18881 H1 TIP3 4296 -16.822 -41.174 17.709 0.00 0.00 SOLV ATOM 18882 H2 TIP3 4296 -17.992 -40.779 18.638 0.00 0.00 SOLV ATOM 18883 OH2 TIP3 4297 -15.785 -19.161 18.982 0.00 0.00 SOLV ATOM 18884 H1 TIP3 4297 -15.532 -18.370 18.521 0.00 0.00 SOLV ATOM 18885 H2 TIP3 4297 -15.565 -18.945 19.868 0.00 0.00 SOLV ATOM 18886 OH2 TIP3 4298 -9.880 14.788 36.939 0.00 0.00 SOLV ATOM 18887 H1 TIP3 4298 -9.589 13.992 37.388 0.00 0.00 SOLV ATOM 18888 H2 TIP3 4298 -9.625 15.444 37.604 0.00 0.00 SOLV ATOM 18889 OH2 TIP3 4299 -4.095 15.104 27.223 0.00 0.00 SOLV ATOM 18890 H1 TIP3 4299 -4.415 16.071 27.176 0.00 0.00 SOLV ATOM 18891 H2 TIP3 4299 -3.120 15.087 27.087 0.00 0.00 SOLV ATOM 18892 OH2 TIP3 4300 -10.336 5.013 46.914 0.00 0.00 SOLV ATOM 18893 H1 TIP3 4300 -9.564 4.807 46.331 0.00 0.00 SOLV ATOM 18894 H2 TIP3 4300 -10.405 6.002 46.907 0.00 0.00 SOLV ATOM 18895 OH2 TIP3 4301 2.062 17.883 12.510 0.00 0.00 SOLV ATOM 18896 H1 TIP3 4301 1.817 16.972 12.527 0.00 0.00 SOLV ATOM 18897 H2 TIP3 4301 2.432 17.958 13.402 0.00 0.00 SOLV ATOM 18898 OH2 TIP3 4302 -24.173 12.187 13.373 0.00 0.00 SOLV ATOM 18899 H1 TIP3 4302 -23.991 12.270 12.452 0.00 0.00 SOLV ATOM 18900 H2 TIP3 4302 -24.763 11.489 13.347 0.00 0.00 SOLV ATOM 18901 OH2 TIP3 4303 -10.668 -44.308 11.468 0.00 0.00 SOLV ATOM 18902 H1 TIP3 4303 -10.107 -45.060 11.816 0.00 0.00 SOLV ATOM 18903 H2 TIP3 4303 -11.447 -44.176 12.051 0.00 0.00 SOLV ATOM 18904 OH2 TIP3 4304 4.493 -32.895 32.464 0.00 0.00 SOLV ATOM 18905 H1 TIP3 4304 4.958 -33.731 32.672 0.00 0.00 SOLV ATOM 18906 H2 TIP3 4304 3.742 -32.859 33.116 0.00 0.00 SOLV ATOM 18907 OH2 TIP3 4305 -9.698 15.433 34.361 0.00 0.00 SOLV ATOM 18908 H1 TIP3 4305 -10.634 15.609 34.054 0.00 0.00 SOLV ATOM 18909 H2 TIP3 4305 -9.772 15.273 35.327 0.00 0.00 SOLV ATOM 18910 OH2 TIP3 4306 -15.868 -35.845 26.257 0.00 0.00 SOLV ATOM 18911 H1 TIP3 4306 -16.301 -34.934 26.140 0.00 0.00 SOLV ATOM 18912 H2 TIP3 4306 -16.190 -36.123 27.135 0.00 0.00 SOLV ATOM 18913 OH2 TIP3 4307 -1.625 7.494 41.779 0.00 0.00 SOLV ATOM 18914 H1 TIP3 4307 -1.435 8.428 41.775 0.00 0.00 SOLV ATOM 18915 H2 TIP3 4307 -1.369 7.145 40.838 0.00 0.00 SOLV ATOM 18916 OH2 TIP3 4308 4.680 -6.021 37.201 0.00 0.00 SOLV ATOM 18917 H1 TIP3 4308 4.881 -6.876 36.844 0.00 0.00 SOLV ATOM 18918 H2 TIP3 4308 5.161 -6.047 38.041 0.00 0.00 SOLV ATOM 18919 OH2 TIP3 4309 0.896 -31.114 24.710 0.00 0.00 SOLV ATOM 18920 H1 TIP3 4309 1.169 -31.863 25.261 0.00 0.00 SOLV ATOM 18921 H2 TIP3 4309 0.586 -31.540 23.847 0.00 0.00 SOLV ATOM 18922 OH2 TIP3 4310 -4.303 -43.491 14.577 0.00 0.00 SOLV ATOM 18923 H1 TIP3 4310 -4.909 -44.196 14.814 0.00 0.00 SOLV ATOM 18924 H2 TIP3 4310 -4.166 -43.033 15.409 0.00 0.00 SOLV ATOM 18925 OH2 TIP3 4311 5.822 -27.423 36.709 0.00 0.00 SOLV ATOM 18926 H1 TIP3 4311 5.187 -26.964 36.087 0.00 0.00 SOLV ATOM 18927 H2 TIP3 4311 6.422 -27.908 36.150 0.00 0.00 SOLV ATOM 18928 OH2 TIP3 4312 -11.345 -40.328 8.943 0.00 0.00 SOLV ATOM 18929 H1 TIP3 4312 -11.238 -40.373 9.911 0.00 0.00 SOLV ATOM 18930 H2 TIP3 4312 -11.786 -39.489 8.739 0.00 0.00 SOLV ATOM 18931 OH2 TIP3 4313 11.572 -6.241 23.272 0.00 0.00 SOLV ATOM 18932 H1 TIP3 4313 11.650 -7.104 23.788 0.00 0.00 SOLV ATOM 18933 H2 TIP3 4313 11.458 -6.529 22.388 0.00 0.00 SOLV ATOM 18934 OH2 TIP3 4314 -6.710 7.547 40.324 0.00 0.00 SOLV ATOM 18935 H1 TIP3 4314 -6.161 7.422 39.521 0.00 0.00 SOLV ATOM 18936 H2 TIP3 4314 -7.622 7.314 40.000 0.00 0.00 SOLV ATOM 18937 OH2 TIP3 4315 -8.938 -39.642 36.365 0.00 0.00 SOLV ATOM 18938 H1 TIP3 4315 -9.602 -40.189 36.867 0.00 0.00 SOLV ATOM 18939 H2 TIP3 4315 -8.335 -39.420 37.091 0.00 0.00 SOLV ATOM 18940 OH2 TIP3 4316 -5.834 -36.503 43.813 0.00 0.00 SOLV ATOM 18941 H1 TIP3 4316 -5.188 -35.773 43.583 0.00 0.00 SOLV ATOM 18942 H2 TIP3 4316 -6.075 -36.382 44.707 0.00 0.00 SOLV ATOM 18943 OH2 TIP3 4317 -7.508 -30.382 47.778 0.00 0.00 SOLV ATOM 18944 H1 TIP3 4317 -8.060 -29.661 47.498 0.00 0.00 SOLV ATOM 18945 H2 TIP3 4317 -8.161 -31.044 48.065 0.00 0.00 SOLV ATOM 18946 OH2 TIP3 4318 3.106 -42.428 16.356 0.00 0.00 SOLV ATOM 18947 H1 TIP3 4318 2.789 -41.683 15.858 0.00 0.00 SOLV ATOM 18948 H2 TIP3 4318 3.652 -42.937 15.713 0.00 0.00 SOLV ATOM 18949 OH2 TIP3 4319 -6.262 29.218 -17.672 0.00 0.00 SOLV ATOM 18950 H1 TIP3 4319 -5.733 28.709 -18.288 0.00 0.00 SOLV ATOM 18951 H2 TIP3 4319 -7.154 28.963 -17.852 0.00 0.00 SOLV ATOM 18952 OH2 TIP3 4320 -13.555 -44.199 12.712 0.00 0.00 SOLV ATOM 18953 H1 TIP3 4320 -13.524 -45.017 13.256 0.00 0.00 SOLV ATOM 18954 H2 TIP3 4320 -13.954 -43.540 13.281 0.00 0.00 SOLV ATOM 18955 OH2 TIP3 4321 -11.249 -37.283 36.257 0.00 0.00 SOLV ATOM 18956 H1 TIP3 4321 -11.579 -37.425 35.322 0.00 0.00 SOLV ATOM 18957 H2 TIP3 4321 -11.795 -36.506 36.486 0.00 0.00 SOLV ATOM 18958 OH2 TIP3 4322 -6.304 -32.855 26.720 0.00 0.00 SOLV ATOM 18959 H1 TIP3 4322 -6.777 -32.934 25.844 0.00 0.00 SOLV ATOM 18960 H2 TIP3 4322 -6.860 -32.260 27.286 0.00 0.00 SOLV ATOM 18961 OH2 TIP3 4323 -9.382 -45.667 27.946 0.00 0.00 SOLV ATOM 18962 H1 TIP3 4323 -9.858 -44.894 28.346 0.00 0.00 SOLV ATOM 18963 H2 TIP3 4323 -8.775 -45.274 27.297 0.00 0.00 SOLV ATOM 18964 OH2 TIP3 4324 -6.966 -38.533 37.944 0.00 0.00 SOLV ATOM 18965 H1 TIP3 4324 -6.009 -38.644 37.719 0.00 0.00 SOLV ATOM 18966 H2 TIP3 4324 -6.911 -37.835 38.694 0.00 0.00 SOLV ATOM 18967 OH2 TIP3 4325 -3.669 -36.317 8.837 0.00 0.00 SOLV ATOM 18968 H1 TIP3 4325 -4.127 -36.395 8.000 0.00 0.00 SOLV ATOM 18969 H2 TIP3 4325 -3.496 -35.322 8.884 0.00 0.00 SOLV ATOM 18970 OH2 TIP3 4326 -7.034 -43.428 12.144 0.00 0.00 SOLV ATOM 18971 H1 TIP3 4326 -6.240 -43.591 11.623 0.00 0.00 SOLV ATOM 18972 H2 TIP3 4326 -7.407 -44.326 12.459 0.00 0.00 SOLV ATOM 18973 OH2 TIP3 4327 7.476 -28.186 10.932 0.00 0.00 SOLV ATOM 18974 H1 TIP3 4327 8.166 -28.476 10.295 0.00 0.00 SOLV ATOM 18975 H2 TIP3 4327 6.748 -27.950 10.361 0.00 0.00 SOLV ATOM 18976 OH2 TIP3 4328 0.965 -24.696 16.979 0.00 0.00 SOLV ATOM 18977 H1 TIP3 4328 0.569 -25.173 16.208 0.00 0.00 SOLV ATOM 18978 H2 TIP3 4328 1.781 -24.325 16.596 0.00 0.00 SOLV ATOM 18979 OH2 TIP3 4329 0.193 -25.394 42.836 0.00 0.00 SOLV ATOM 18980 H1 TIP3 4329 -0.234 -25.201 43.657 0.00 0.00 SOLV ATOM 18981 H2 TIP3 4329 0.631 -24.500 42.634 0.00 0.00 SOLV ATOM 18982 OH2 TIP3 4330 -16.755 5.352 27.243 0.00 0.00 SOLV ATOM 18983 H1 TIP3 4330 -16.766 5.425 28.205 0.00 0.00 SOLV ATOM 18984 H2 TIP3 4330 -17.148 6.174 26.899 0.00 0.00 SOLV ATOM 18985 OH2 TIP3 4331 -2.443 -28.446 43.035 0.00 0.00 SOLV ATOM 18986 H1 TIP3 4331 -3.068 -28.233 42.315 0.00 0.00 SOLV ATOM 18987 H2 TIP3 4331 -2.116 -27.605 43.306 0.00 0.00 SOLV ATOM 18988 OH2 TIP3 4332 -25.069 -8.581 23.538 0.00 0.00 SOLV ATOM 18989 H1 TIP3 4332 -24.801 -9.393 23.121 0.00 0.00 SOLV ATOM 18990 H2 TIP3 4332 -26.047 -8.532 23.541 0.00 0.00 SOLV ATOM 18991 OH2 TIP3 4333 9.126 -22.148 7.319 0.00 0.00 SOLV ATOM 18992 H1 TIP3 4333 8.569 -22.912 7.005 0.00 0.00 SOLV ATOM 18993 H2 TIP3 4333 9.513 -22.433 8.197 0.00 0.00 SOLV ATOM 18994 OH2 TIP3 4334 -17.461 -33.333 38.841 0.00 0.00 SOLV ATOM 18995 H1 TIP3 4334 -16.688 -32.756 38.864 0.00 0.00 SOLV ATOM 18996 H2 TIP3 4334 -18.033 -32.738 38.374 0.00 0.00 SOLV ATOM 18997 OH2 TIP3 4335 -9.977 -19.411 12.806 0.00 0.00 SOLV ATOM 18998 H1 TIP3 4335 -9.631 -18.504 12.915 0.00 0.00 SOLV ATOM 18999 H2 TIP3 4335 -10.426 -19.542 13.676 0.00 0.00 SOLV ATOM 19000 OH2 TIP3 4336 -2.352 -38.065 10.628 0.00 0.00 SOLV ATOM 19001 H1 TIP3 4336 -2.787 -37.491 9.958 0.00 0.00 SOLV ATOM 19002 H2 TIP3 4336 -2.887 -38.113 11.427 0.00 0.00 SOLV ATOM 19003 OH2 TIP3 4337 -26.318 -37.666 21.808 0.00 0.00 SOLV ATOM 19004 H1 TIP3 4337 -25.764 -37.059 21.295 0.00 0.00 SOLV ATOM 19005 H2 TIP3 4337 -26.734 -38.317 21.183 0.00 0.00 SOLV ATOM 19006 OH2 TIP3 4338 3.827 -36.185 35.430 0.00 0.00 SOLV ATOM 19007 H1 TIP3 4338 4.789 -35.981 35.365 0.00 0.00 SOLV ATOM 19008 H2 TIP3 4338 3.755 -36.915 36.064 0.00 0.00 SOLV ATOM 19009 OH2 TIP3 4339 -13.032 -18.710 9.488 0.00 0.00 SOLV ATOM 19010 H1 TIP3 4339 -12.452 -18.366 8.843 0.00 0.00 SOLV ATOM 19011 H2 TIP3 4339 -13.706 -18.021 9.312 0.00 0.00 SOLV ATOM 19012 OH2 TIP3 4340 -10.736 -32.362 46.580 0.00 0.00 SOLV ATOM 19013 H1 TIP3 4340 -10.497 -32.546 47.489 0.00 0.00 SOLV ATOM 19014 H2 TIP3 4340 -10.618 -33.170 46.151 0.00 0.00 SOLV ATOM 19015 OH2 TIP3 4341 -3.531 -32.562 11.329 0.00 0.00 SOLV ATOM 19016 H1 TIP3 4341 -4.249 -32.976 10.928 0.00 0.00 SOLV ATOM 19017 H2 TIP3 4341 -2.885 -33.347 11.322 0.00 0.00 SOLV ATOM 19018 OH2 TIP3 4342 -7.193 -37.450 17.775 0.00 0.00 SOLV ATOM 19019 H1 TIP3 4342 -7.059 -38.231 17.227 0.00 0.00 SOLV ATOM 19020 H2 TIP3 4342 -7.047 -37.727 18.744 0.00 0.00 SOLV ATOM 19021 OH2 TIP3 4343 7.527 -40.785 15.170 0.00 0.00 SOLV ATOM 19022 H1 TIP3 4343 7.696 -40.209 15.912 0.00 0.00 SOLV ATOM 19023 H2 TIP3 4343 6.513 -40.709 15.024 0.00 0.00 SOLV ATOM 19024 OH2 TIP3 4344 -21.929 -31.722 8.801 0.00 0.00 SOLV ATOM 19025 H1 TIP3 4344 -22.109 -31.940 7.856 0.00 0.00 SOLV ATOM 19026 H2 TIP3 4344 -21.115 -32.219 8.928 0.00 0.00 SOLV ATOM 19027 OH2 TIP3 4345 -17.046 -36.885 28.610 0.00 0.00 SOLV ATOM 19028 H1 TIP3 4345 -16.659 -37.397 29.284 0.00 0.00 SOLV ATOM 19029 H2 TIP3 4345 -17.691 -36.316 29.043 0.00 0.00 SOLV ATOM 19030 OH2 TIP3 4346 -11.462 -38.701 21.672 0.00 0.00 SOLV ATOM 19031 H1 TIP3 4346 -12.103 -38.623 22.453 0.00 0.00 SOLV ATOM 19032 H2 TIP3 4346 -12.055 -38.540 20.906 0.00 0.00 SOLV ATOM 19033 OH2 TIP3 4347 6.682 -29.916 47.420 0.00 0.00 SOLV ATOM 19034 H1 TIP3 4347 6.530 -30.863 47.215 0.00 0.00 SOLV ATOM 19035 H2 TIP3 4347 6.877 -29.483 46.578 0.00 0.00 SOLV ATOM 19036 OH2 TIP3 4348 -4.041 -27.087 12.213 0.00 0.00 SOLV ATOM 19037 H1 TIP3 4348 -4.083 -28.074 12.030 0.00 0.00 SOLV ATOM 19038 H2 TIP3 4348 -4.986 -26.858 12.118 0.00 0.00 SOLV ATOM 19039 OH2 TIP3 4349 1.040 -31.811 17.876 0.00 0.00 SOLV ATOM 19040 H1 TIP3 4349 0.773 -31.324 18.671 0.00 0.00 SOLV ATOM 19041 H2 TIP3 4349 1.753 -31.234 17.515 0.00 0.00 SOLV ATOM 19042 OH2 TIP3 4350 -14.414 -25.346 38.479 0.00 0.00 SOLV ATOM 19043 H1 TIP3 4350 -14.879 -25.331 37.638 0.00 0.00 SOLV ATOM 19044 H2 TIP3 4350 -15.108 -25.077 39.116 0.00 0.00 SOLV ATOM 19045 OH2 TIP3 4351 -13.523 -29.247 34.684 0.00 0.00 SOLV ATOM 19046 H1 TIP3 4351 -14.130 -28.718 34.210 0.00 0.00 SOLV ATOM 19047 H2 TIP3 4351 -12.985 -29.513 33.909 0.00 0.00 SOLV ATOM 19048 OH2 TIP3 4352 4.123 -27.945 24.550 0.00 0.00 SOLV ATOM 19049 H1 TIP3 4352 4.554 -28.460 25.234 0.00 0.00 SOLV ATOM 19050 H2 TIP3 4352 3.188 -28.198 24.658 0.00 0.00 SOLV ATOM 19051 OH2 TIP3 4353 -19.216 -30.228 43.864 0.00 0.00 SOLV ATOM 19052 H1 TIP3 4353 -18.411 -30.711 44.028 0.00 0.00 SOLV ATOM 19053 H2 TIP3 4353 -19.465 -30.595 43.019 0.00 0.00 SOLV ATOM 19054 OH2 TIP3 4354 0.591 -18.811 7.356 0.00 0.00 SOLV ATOM 19055 H1 TIP3 4354 0.832 -19.358 8.136 0.00 0.00 SOLV ATOM 19056 H2 TIP3 4354 -0.077 -19.404 6.973 0.00 0.00 SOLV ATOM 19057 OH2 TIP3 4355 -10.096 -3.060 39.665 0.00 0.00 SOLV ATOM 19058 H1 TIP3 4355 -9.521 -3.701 40.136 0.00 0.00 SOLV ATOM 19059 H2 TIP3 4355 -10.918 -3.063 40.202 0.00 0.00 SOLV ATOM 19060 OH2 TIP3 4356 19.649 11.616 11.105 0.00 0.00 SOLV ATOM 19061 H1 TIP3 4356 20.577 11.747 11.165 0.00 0.00 SOLV ATOM 19062 H2 TIP3 4356 19.494 11.124 11.899 0.00 0.00 SOLV ATOM 19063 OH2 TIP3 4357 -2.131 -33.390 41.740 0.00 0.00 SOLV ATOM 19064 H1 TIP3 4357 -2.009 -32.706 42.445 0.00 0.00 SOLV ATOM 19065 H2 TIP3 4357 -1.348 -33.905 41.819 0.00 0.00 SOLV ATOM 19066 OH2 TIP3 4358 -9.998 -11.062 44.397 0.00 0.00 SOLV ATOM 19067 H1 TIP3 4358 -9.513 -11.771 43.896 0.00 0.00 SOLV ATOM 19068 H2 TIP3 4358 -9.341 -10.271 44.500 0.00 0.00 SOLV ATOM 19069 OH2 TIP3 4359 -17.931 -25.827 12.376 0.00 0.00 SOLV ATOM 19070 H1 TIP3 4359 -17.611 -25.201 11.636 0.00 0.00 SOLV ATOM 19071 H2 TIP3 4359 -18.112 -26.679 11.978 0.00 0.00 SOLV ATOM 19072 OH2 TIP3 4360 -1.855 -8.252 6.852 0.00 0.00 SOLV ATOM 19073 H1 TIP3 4360 -1.026 -7.824 7.076 0.00 0.00 SOLV ATOM 19074 H2 TIP3 4360 -2.322 -7.593 6.319 0.00 0.00 SOLV ATOM 19075 OH2 TIP3 4361 -24.681 -24.841 13.495 0.00 0.00 SOLV ATOM 19076 H1 TIP3 4361 -24.767 -25.566 14.195 0.00 0.00 SOLV ATOM 19077 H2 TIP3 4361 -24.686 -24.050 14.081 0.00 0.00 SOLV ATOM 19078 OH2 TIP3 4362 -6.447 -30.863 10.514 0.00 0.00 SOLV ATOM 19079 H1 TIP3 4362 -7.115 -30.466 9.920 0.00 0.00 SOLV ATOM 19080 H2 TIP3 4362 -6.941 -31.536 10.994 0.00 0.00 SOLV ATOM 19081 OH2 TIP3 4363 -22.755 -24.266 30.317 0.00 0.00 SOLV ATOM 19082 H1 TIP3 4363 -21.892 -23.910 30.221 0.00 0.00 SOLV ATOM 19083 H2 TIP3 4363 -23.040 -24.500 29.362 0.00 0.00 SOLV ATOM 19084 OH2 TIP3 4364 -21.331 -21.280 33.182 0.00 0.00 SOLV ATOM 19085 H1 TIP3 4364 -21.943 -21.539 32.586 0.00 0.00 SOLV ATOM 19086 H2 TIP3 4364 -21.900 -20.861 33.853 0.00 0.00 SOLV ATOM 19087 OH2 TIP3 4365 -19.124 -20.853 43.319 0.00 0.00 SOLV ATOM 19088 H1 TIP3 4365 -19.529 -21.311 43.993 0.00 0.00 SOLV ATOM 19089 H2 TIP3 4365 -19.707 -20.205 43.085 0.00 0.00 SOLV ATOM 19090 OH2 TIP3 4366 -11.757 -27.723 42.485 0.00 0.00 SOLV ATOM 19091 H1 TIP3 4366 -11.411 -26.878 42.781 0.00 0.00 SOLV ATOM 19092 H2 TIP3 4366 -11.158 -28.080 41.735 0.00 0.00 SOLV ATOM 19093 OH2 TIP3 4367 -2.865 -29.578 52.037 0.00 0.00 SOLV ATOM 19094 H1 TIP3 4367 -2.611 -29.254 51.146 0.00 0.00 SOLV ATOM 19095 H2 TIP3 4367 -2.221 -30.337 52.097 0.00 0.00 SOLV ATOM 19096 OH2 TIP3 4368 -7.811 -30.652 43.838 0.00 0.00 SOLV ATOM 19097 H1 TIP3 4368 -7.619 -31.579 43.882 0.00 0.00 SOLV ATOM 19098 H2 TIP3 4368 -8.713 -30.545 44.140 0.00 0.00 SOLV ATOM 19099 OH2 TIP3 4369 -13.379 -26.843 27.474 0.00 0.00 SOLV ATOM 19100 H1 TIP3 4369 -12.642 -27.496 27.475 0.00 0.00 SOLV ATOM 19101 H2 TIP3 4369 -13.589 -26.765 28.429 0.00 0.00 SOLV ATOM 19102 OH2 TIP3 4370 -16.337 -29.520 11.252 0.00 0.00 SOLV ATOM 19103 H1 TIP3 4370 -16.885 -28.745 11.029 0.00 0.00 SOLV ATOM 19104 H2 TIP3 4370 -16.874 -30.267 10.920 0.00 0.00 SOLV ATOM 19105 OH2 TIP3 4371 13.747 -19.074 37.947 0.00 0.00 SOLV ATOM 19106 H1 TIP3 4371 13.617 -20.025 38.206 0.00 0.00 SOLV ATOM 19107 H2 TIP3 4371 14.374 -18.663 38.608 0.00 0.00 SOLV ATOM 19108 OH2 TIP3 4372 1.553 -29.934 32.567 0.00 0.00 SOLV ATOM 19109 H1 TIP3 4372 0.620 -29.910 32.838 0.00 0.00 SOLV ATOM 19110 H2 TIP3 4372 2.027 -30.051 33.383 0.00 0.00 SOLV ATOM 19111 OH2 TIP3 4373 7.052 -33.061 16.803 0.00 0.00 SOLV ATOM 19112 H1 TIP3 4373 7.540 -32.573 16.092 0.00 0.00 SOLV ATOM 19113 H2 TIP3 4373 7.736 -33.032 17.532 0.00 0.00 SOLV ATOM 19114 OH2 TIP3 4374 -18.711 -26.170 21.473 0.00 0.00 SOLV ATOM 19115 H1 TIP3 4374 -18.690 -27.054 21.830 0.00 0.00 SOLV ATOM 19116 H2 TIP3 4374 -18.827 -25.613 22.240 0.00 0.00 SOLV ATOM 19117 OH2 TIP3 4375 -22.506 0.402 41.085 0.00 0.00 SOLV ATOM 19118 H1 TIP3 4375 -22.880 0.209 41.958 0.00 0.00 SOLV ATOM 19119 H2 TIP3 4375 -22.009 1.236 41.281 0.00 0.00 SOLV ATOM 19120 OH2 TIP3 4376 -1.225 -28.757 36.083 0.00 0.00 SOLV ATOM 19121 H1 TIP3 4376 -1.296 -28.145 36.823 0.00 0.00 SOLV ATOM 19122 H2 TIP3 4376 -0.483 -29.342 36.399 0.00 0.00 SOLV ATOM 19123 OH2 TIP3 4377 -10.021 -16.306 52.185 0.00 0.00 SOLV ATOM 19124 H1 TIP3 4377 -9.843 -17.229 52.343 0.00 0.00 SOLV ATOM 19125 H2 TIP3 4377 -10.521 -16.287 51.415 0.00 0.00 SOLV ATOM 19126 OH2 TIP3 4378 -15.678 -14.867 31.892 0.00 0.00 SOLV ATOM 19127 H1 TIP3 4378 -15.163 -15.606 32.261 0.00 0.00 SOLV ATOM 19128 H2 TIP3 4378 -15.541 -14.112 32.489 0.00 0.00 SOLV ATOM 19129 OH2 TIP3 4379 -14.199 -26.693 41.258 0.00 0.00 SOLV ATOM 19130 H1 TIP3 4379 -14.321 -25.737 41.436 0.00 0.00 SOLV ATOM 19131 H2 TIP3 4379 -13.403 -26.965 41.806 0.00 0.00 SOLV ATOM 19132 OH2 TIP3 4380 -21.507 -23.416 21.477 0.00 0.00 SOLV ATOM 19133 H1 TIP3 4380 -21.469 -24.350 21.221 0.00 0.00 SOLV ATOM 19134 H2 TIP3 4380 -21.187 -23.421 22.453 0.00 0.00 SOLV ATOM 19135 OH2 TIP3 4381 2.432 -4.016 45.885 0.00 0.00 SOLV ATOM 19136 H1 TIP3 4381 1.809 -4.731 45.608 0.00 0.00 SOLV ATOM 19137 H2 TIP3 4381 2.946 -3.777 45.103 0.00 0.00 SOLV ATOM 19138 OH2 TIP3 4382 -14.652 -31.557 30.408 0.00 0.00 SOLV ATOM 19139 H1 TIP3 4382 -14.205 -32.419 30.333 0.00 0.00 SOLV ATOM 19140 H2 TIP3 4382 -15.578 -31.734 30.191 0.00 0.00 SOLV ATOM 19141 OH2 TIP3 4383 -4.001 -32.134 32.953 0.00 0.00 SOLV ATOM 19142 H1 TIP3 4383 -3.684 -31.469 33.687 0.00 0.00 SOLV ATOM 19143 H2 TIP3 4383 -3.271 -32.720 32.864 0.00 0.00 SOLV ATOM 19144 OH2 TIP3 4384 -18.855 -15.667 44.948 0.00 0.00 SOLV ATOM 19145 H1 TIP3 4384 -19.021 -16.485 45.420 0.00 0.00 SOLV ATOM 19146 H2 TIP3 4384 -18.410 -15.944 44.160 0.00 0.00 SOLV ATOM 19147 OH2 TIP3 4385 8.792 -17.167 44.893 0.00 0.00 SOLV ATOM 19148 H1 TIP3 4385 9.255 -17.099 45.732 0.00 0.00 SOLV ATOM 19149 H2 TIP3 4385 8.712 -18.134 44.677 0.00 0.00 SOLV ATOM 19150 OH2 TIP3 4386 -11.525 -8.400 19.371 0.00 0.00 SOLV ATOM 19151 H1 TIP3 4386 -12.488 -8.274 19.287 0.00 0.00 SOLV ATOM 19152 H2 TIP3 4386 -11.288 -8.346 18.428 0.00 0.00 SOLV ATOM 19153 OH2 TIP3 4387 -4.721 -24.126 35.347 0.00 0.00 SOLV ATOM 19154 H1 TIP3 4387 -5.474 -24.739 35.378 0.00 0.00 SOLV ATOM 19155 H2 TIP3 4387 -4.682 -23.960 34.396 0.00 0.00 SOLV ATOM 19156 OH2 TIP3 4388 -3.067 -23.428 55.261 0.00 0.00 SOLV ATOM 19157 H1 TIP3 4388 -2.384 -23.587 54.567 0.00 0.00 SOLV ATOM 19158 H2 TIP3 4388 -2.845 -22.618 55.718 0.00 0.00 SOLV ATOM 19159 OH2 TIP3 4389 -19.897 3.662 -9.121 0.00 0.00 SOLV ATOM 19160 H1 TIP3 4389 -20.305 4.453 -8.784 0.00 0.00 SOLV ATOM 19161 H2 TIP3 4389 -19.881 3.899 -10.080 0.00 0.00 SOLV ATOM 19162 OH2 TIP3 4390 -14.885 -16.747 35.831 0.00 0.00 SOLV ATOM 19163 H1 TIP3 4390 -15.069 -16.039 36.495 0.00 0.00 SOLV ATOM 19164 H2 TIP3 4390 -14.520 -17.519 36.385 0.00 0.00 SOLV ATOM 19165 OH2 TIP3 4391 -22.263 -25.607 33.653 0.00 0.00 SOLV ATOM 19166 H1 TIP3 4391 -22.210 -26.063 34.514 0.00 0.00 SOLV ATOM 19167 H2 TIP3 4391 -21.374 -25.267 33.544 0.00 0.00 SOLV ATOM 19168 OH2 TIP3 4392 -1.861 -15.588 38.229 0.00 0.00 SOLV ATOM 19169 H1 TIP3 4392 -2.583 -15.082 38.511 0.00 0.00 SOLV ATOM 19170 H2 TIP3 4392 -2.236 -16.382 37.886 0.00 0.00 SOLV ATOM 19171 OH2 TIP3 4393 -23.574 -19.787 48.072 0.00 0.00 SOLV ATOM 19172 H1 TIP3 4393 -24.173 -20.472 48.184 0.00 0.00 SOLV ATOM 19173 H2 TIP3 4393 -23.860 -19.119 48.682 0.00 0.00 SOLV ATOM 19174 OH2 TIP3 4394 -13.150 -11.111 17.513 0.00 0.00 SOLV ATOM 19175 H1 TIP3 4394 -12.748 -11.146 16.623 0.00 0.00 SOLV ATOM 19176 H2 TIP3 4394 -12.376 -11.242 18.096 0.00 0.00 SOLV ATOM 19177 OH2 TIP3 4395 14.674 -16.062 32.660 0.00 0.00 SOLV ATOM 19178 H1 TIP3 4395 14.193 -16.524 33.321 0.00 0.00 SOLV ATOM 19179 H2 TIP3 4395 14.004 -15.548 32.220 0.00 0.00 SOLV ATOM 19180 OH2 TIP3 4396 -12.510 -9.613 51.681 0.00 0.00 SOLV ATOM 19181 H1 TIP3 4396 -13.027 -9.198 50.971 0.00 0.00 SOLV ATOM 19182 H2 TIP3 4396 -11.955 -8.940 52.005 0.00 0.00 SOLV ATOM 19183 OH2 TIP3 4397 6.147 -16.628 11.140 0.00 0.00 SOLV ATOM 19184 H1 TIP3 4397 5.780 -15.995 11.797 0.00 0.00 SOLV ATOM 19185 H2 TIP3 4397 6.463 -17.374 11.699 0.00 0.00 SOLV ATOM 19186 OH2 TIP3 4398 -16.025 -14.633 16.969 0.00 0.00 SOLV ATOM 19187 H1 TIP3 4398 -15.678 -14.048 17.618 0.00 0.00 SOLV ATOM 19188 H2 TIP3 4398 -15.443 -14.506 16.165 0.00 0.00 SOLV ATOM 19189 OH2 TIP3 4399 -14.236 -2.404 21.626 0.00 0.00 SOLV ATOM 19190 H1 TIP3 4399 -14.801 -3.024 22.132 0.00 0.00 SOLV ATOM 19191 H2 TIP3 4399 -13.585 -2.087 22.287 0.00 0.00 SOLV ATOM 19192 OH2 TIP3 4400 -13.289 -14.067 48.289 0.00 0.00 SOLV ATOM 19193 H1 TIP3 4400 -13.367 -13.481 49.077 0.00 0.00 SOLV ATOM 19194 H2 TIP3 4400 -12.574 -13.653 47.835 0.00 0.00 SOLV ATOM 19195 OH2 TIP3 4401 -23.599 -24.020 46.822 0.00 0.00 SOLV ATOM 19196 H1 TIP3 4401 -22.645 -23.904 46.656 0.00 0.00 SOLV ATOM 19197 H2 TIP3 4401 -24.031 -23.704 46.010 0.00 0.00 SOLV ATOM 19198 OH2 TIP3 4402 -1.533 -14.047 47.799 0.00 0.00 SOLV ATOM 19199 H1 TIP3 4402 -1.528 -14.276 48.775 0.00 0.00 SOLV ATOM 19200 H2 TIP3 4402 -1.396 -14.858 47.335 0.00 0.00 SOLV ATOM 19201 OH2 TIP3 4403 -12.901 -20.407 -8.503 0.00 0.00 SOLV ATOM 19202 H1 TIP3 4403 -12.772 -19.406 -8.623 0.00 0.00 SOLV ATOM 19203 H2 TIP3 4403 -13.664 -20.668 -8.975 0.00 0.00 SOLV ATOM 19204 OH2 TIP3 4404 -20.327 -6.861 9.532 0.00 0.00 SOLV ATOM 19205 H1 TIP3 4404 -19.482 -6.462 9.649 0.00 0.00 SOLV ATOM 19206 H2 TIP3 4404 -20.112 -7.786 9.329 0.00 0.00 SOLV ATOM 19207 OH2 TIP3 4405 -22.709 -14.027 39.084 0.00 0.00 SOLV ATOM 19208 H1 TIP3 4405 -22.975 -14.753 38.563 0.00 0.00 SOLV ATOM 19209 H2 TIP3 4405 -22.833 -13.297 38.436 0.00 0.00 SOLV ATOM 19210 OH2 TIP3 4406 -3.208 14.880 14.394 0.00 0.00 SOLV ATOM 19211 H1 TIP3 4406 -3.746 15.060 15.146 0.00 0.00 SOLV ATOM 19212 H2 TIP3 4406 -2.359 14.952 14.730 0.00 0.00 SOLV ATOM 19213 OH2 TIP3 4407 -6.958 -8.262 48.636 0.00 0.00 SOLV ATOM 19214 H1 TIP3 4407 -7.180 -8.159 49.609 0.00 0.00 SOLV ATOM 19215 H2 TIP3 4407 -7.509 -7.580 48.156 0.00 0.00 SOLV ATOM 19216 OH2 TIP3 4408 -10.658 -5.281 45.276 0.00 0.00 SOLV ATOM 19217 H1 TIP3 4408 -10.815 -5.875 44.525 0.00 0.00 SOLV ATOM 19218 H2 TIP3 4408 -9.968 -4.556 44.903 0.00 0.00 SOLV ATOM 19219 OH2 TIP3 4409 0.865 11.079 37.156 0.00 0.00 SOLV ATOM 19220 H1 TIP3 4409 1.081 11.848 36.641 0.00 0.00 SOLV ATOM 19221 H2 TIP3 4409 0.528 11.450 37.988 0.00 0.00 SOLV ATOM 19222 OH2 TIP3 4410 3.359 -5.504 5.616 0.00 0.00 SOLV ATOM 19223 H1 TIP3 4410 4.151 -5.523 6.237 0.00 0.00 SOLV ATOM 19224 H2 TIP3 4410 3.493 -6.301 5.162 0.00 0.00 SOLV ATOM 19225 OH2 TIP3 4411 -27.031 5.383 19.248 0.00 0.00 SOLV ATOM 19226 H1 TIP3 4411 -26.534 4.773 18.594 0.00 0.00 SOLV ATOM 19227 H2 TIP3 4411 -27.853 4.940 19.439 0.00 0.00 SOLV ATOM 19228 OH2 TIP3 4412 -12.313 -9.389 44.723 0.00 0.00 SOLV ATOM 19229 H1 TIP3 4412 -11.886 -9.000 45.489 0.00 0.00 SOLV ATOM 19230 H2 TIP3 4412 -11.597 -9.976 44.389 0.00 0.00 SOLV ATOM 19231 OH2 TIP3 4413 2.316 12.675 30.822 0.00 0.00 SOLV ATOM 19232 H1 TIP3 4413 2.810 12.061 31.485 0.00 0.00 SOLV ATOM 19233 H2 TIP3 4413 3.036 13.200 30.520 0.00 0.00 SOLV ATOM 19234 OH2 TIP3 4414 -17.223 -22.977 49.226 0.00 0.00 SOLV ATOM 19235 H1 TIP3 4414 -16.556 -23.442 49.724 0.00 0.00 SOLV ATOM 19236 H2 TIP3 4414 -17.833 -22.808 49.969 0.00 0.00 SOLV ATOM 19237 OH2 TIP3 4415 -15.172 -13.071 34.043 0.00 0.00 SOLV ATOM 19238 H1 TIP3 4415 -14.419 -12.409 34.095 0.00 0.00 SOLV ATOM 19239 H2 TIP3 4415 -15.716 -12.969 34.864 0.00 0.00 SOLV ATOM 19240 OH2 TIP3 4416 -3.595 -12.656 55.241 0.00 0.00 SOLV ATOM 19241 H1 TIP3 4416 -3.528 -13.169 56.042 0.00 0.00 SOLV ATOM 19242 H2 TIP3 4416 -3.534 -13.275 54.521 0.00 0.00 SOLV ATOM 19243 OH2 TIP3 4417 -2.723 1.828 46.547 0.00 0.00 SOLV ATOM 19244 H1 TIP3 4417 -2.815 2.379 45.682 0.00 0.00 SOLV ATOM 19245 H2 TIP3 4417 -3.046 2.380 47.297 0.00 0.00 SOLV ATOM 19246 OH2 TIP3 4418 -5.289 0.157 -0.905 0.00 0.00 SOLV ATOM 19247 H1 TIP3 4418 -5.751 0.744 -0.267 0.00 0.00 SOLV ATOM 19248 H2 TIP3 4418 -6.032 -0.479 -1.078 0.00 0.00 SOLV ATOM 19249 OH2 TIP3 4419 7.672 6.623 -10.169 0.00 0.00 SOLV ATOM 19250 H1 TIP3 4419 7.094 6.014 -9.702 0.00 0.00 SOLV ATOM 19251 H2 TIP3 4419 7.409 7.497 -9.739 0.00 0.00 SOLV ATOM 19252 OH2 TIP3 4420 -2.297 -15.695 42.920 0.00 0.00 SOLV ATOM 19253 H1 TIP3 4420 -2.251 -16.259 43.780 0.00 0.00 SOLV ATOM 19254 H2 TIP3 4420 -1.364 -15.374 42.802 0.00 0.00 SOLV ATOM 19255 OH2 TIP3 4421 13.425 8.287 31.722 0.00 0.00 SOLV ATOM 19256 H1 TIP3 4421 12.806 7.577 32.000 0.00 0.00 SOLV ATOM 19257 H2 TIP3 4421 13.843 8.642 32.552 0.00 0.00 SOLV ATOM 19258 OH2 TIP3 4422 2.718 -9.323 49.487 0.00 0.00 SOLV ATOM 19259 H1 TIP3 4422 1.752 -9.212 49.681 0.00 0.00 SOLV ATOM 19260 H2 TIP3 4422 2.895 -10.093 50.082 0.00 0.00 SOLV ATOM 19261 OH2 TIP3 4423 -10.795 -29.001 30.714 0.00 0.00 SOLV ATOM 19262 H1 TIP3 4423 -10.587 -28.092 30.600 0.00 0.00 SOLV ATOM 19263 H2 TIP3 4423 -9.991 -29.430 30.928 0.00 0.00 SOLV ATOM 19264 OH2 TIP3 4424 -12.652 7.739 38.804 0.00 0.00 SOLV ATOM 19265 H1 TIP3 4424 -12.523 7.833 39.746 0.00 0.00 SOLV ATOM 19266 H2 TIP3 4424 -12.403 6.796 38.682 0.00 0.00 SOLV ATOM 19267 OH2 TIP3 4425 -10.627 -0.265 24.374 0.00 0.00 SOLV ATOM 19268 H1 TIP3 4425 -9.734 -0.449 23.927 0.00 0.00 SOLV ATOM 19269 H2 TIP3 4425 -10.712 0.699 24.180 0.00 0.00 SOLV ATOM 19270 OH2 TIP3 4426 -1.252 -1.152 49.154 0.00 0.00 SOLV ATOM 19271 H1 TIP3 4426 -0.429 -0.587 49.211 0.00 0.00 SOLV ATOM 19272 H2 TIP3 4426 -1.177 -1.516 48.307 0.00 0.00 SOLV ATOM 19273 OH2 TIP3 4427 -21.947 -26.274 23.156 0.00 0.00 SOLV ATOM 19274 H1 TIP3 4427 -21.834 -25.421 23.635 0.00 0.00 SOLV ATOM 19275 H2 TIP3 4427 -21.355 -26.811 23.693 0.00 0.00 SOLV ATOM 19276 OH2 TIP3 4428 1.917 3.180 40.674 0.00 0.00 SOLV ATOM 19277 H1 TIP3 4428 2.638 3.212 40.067 0.00 0.00 SOLV ATOM 19278 H2 TIP3 4428 2.131 2.446 41.257 0.00 0.00 SOLV ATOM 19279 OH2 TIP3 4429 -13.106 0.454 39.535 0.00 0.00 SOLV ATOM 19280 H1 TIP3 4429 -13.434 -0.484 39.435 0.00 0.00 SOLV ATOM 19281 H2 TIP3 4429 -12.258 0.420 39.185 0.00 0.00 SOLV ATOM 19282 OH2 TIP3 4430 -11.048 -1.631 42.271 0.00 0.00 SOLV ATOM 19283 H1 TIP3 4430 -11.887 -1.804 42.449 0.00 0.00 SOLV ATOM 19284 H2 TIP3 4430 -10.964 -0.737 42.501 0.00 0.00 SOLV ATOM 19285 OH2 TIP3 4431 -1.292 8.022 3.808 0.00 0.00 SOLV ATOM 19286 H1 TIP3 4431 -0.831 8.599 3.153 0.00 0.00 SOLV ATOM 19287 H2 TIP3 4431 -1.069 8.412 4.638 0.00 0.00 SOLV ATOM 19288 OH2 TIP3 4432 -18.099 17.377 17.459 0.00 0.00 SOLV ATOM 19289 H1 TIP3 4432 -18.388 18.251 17.791 0.00 0.00 SOLV ATOM 19290 H2 TIP3 4432 -17.973 16.861 18.294 0.00 0.00 SOLV ATOM 19291 OH2 TIP3 4433 15.603 -0.107 34.415 0.00 0.00 SOLV ATOM 19292 H1 TIP3 4433 16.473 -0.472 34.239 0.00 0.00 SOLV ATOM 19293 H2 TIP3 4433 14.965 -0.291 33.696 0.00 0.00 SOLV ATOM 19294 OH2 TIP3 4434 -22.060 5.190 34.242 0.00 0.00 SOLV ATOM 19295 H1 TIP3 4434 -22.687 4.590 33.853 0.00 0.00 SOLV ATOM 19296 H2 TIP3 4434 -22.339 5.183 35.180 0.00 0.00 SOLV ATOM 19297 OH2 TIP3 4435 -21.084 4.884 23.501 0.00 0.00 SOLV ATOM 19298 H1 TIP3 4435 -21.697 5.286 22.913 0.00 0.00 SOLV ATOM 19299 H2 TIP3 4435 -21.568 5.033 24.324 0.00 0.00 SOLV ATOM 19300 OH2 TIP3 4436 -31.154 -2.840 30.861 0.00 0.00 SOLV ATOM 19301 H1 TIP3 4436 -30.746 -2.905 31.756 0.00 0.00 SOLV ATOM 19302 H2 TIP3 4436 -30.512 -2.226 30.421 0.00 0.00 SOLV ATOM 19303 OH2 TIP3 4437 -24.082 -2.961 33.722 0.00 0.00 SOLV ATOM 19304 H1 TIP3 4437 -24.366 -2.830 34.634 0.00 0.00 SOLV ATOM 19305 H2 TIP3 4437 -23.767 -3.851 33.665 0.00 0.00 SOLV ATOM 19306 OH2 TIP3 4438 -24.287 0.442 29.945 0.00 0.00 SOLV ATOM 19307 H1 TIP3 4438 -24.290 1.376 29.721 0.00 0.00 SOLV ATOM 19308 H2 TIP3 4438 -23.647 0.446 30.691 0.00 0.00 SOLV ATOM 19309 OH2 TIP3 4439 -14.936 12.751 25.289 0.00 0.00 SOLV ATOM 19310 H1 TIP3 4439 -15.258 12.244 26.073 0.00 0.00 SOLV ATOM 19311 H2 TIP3 4439 -15.067 13.750 25.539 0.00 0.00 SOLV ATOM 19312 OH2 TIP3 4440 -7.354 3.751 41.134 0.00 0.00 SOLV ATOM 19313 H1 TIP3 4440 -6.477 4.085 41.299 0.00 0.00 SOLV ATOM 19314 H2 TIP3 4440 -7.381 3.023 41.781 0.00 0.00 SOLV ATOM 19315 OH2 TIP3 4441 -22.100 -1.223 35.701 0.00 0.00 SOLV ATOM 19316 H1 TIP3 4441 -22.524 -2.082 35.500 0.00 0.00 SOLV ATOM 19317 H2 TIP3 4441 -21.931 -1.278 36.680 0.00 0.00 SOLV ATOM 19318 OH2 TIP3 4442 -13.974 10.216 34.603 0.00 0.00 SOLV ATOM 19319 H1 TIP3 4442 -14.490 11.004 34.488 0.00 0.00 SOLV ATOM 19320 H2 TIP3 4442 -13.567 10.244 35.488 0.00 0.00 SOLV ATOM 19321 OH2 TIP3 4443 -2.755 -8.395 48.806 0.00 0.00 SOLV ATOM 19322 H1 TIP3 4443 -2.601 -9.066 49.497 0.00 0.00 SOLV ATOM 19323 H2 TIP3 4443 -3.364 -7.840 49.285 0.00 0.00 SOLV ATOM 19324 OH2 TIP3 4444 0.640 7.255 43.401 0.00 0.00 SOLV ATOM 19325 H1 TIP3 4444 1.234 7.129 42.563 0.00 0.00 SOLV ATOM 19326 H2 TIP3 4444 -0.278 7.268 43.028 0.00 0.00 SOLV ATOM 19327 OH2 TIP3 4445 -26.871 14.973 23.822 0.00 0.00 SOLV ATOM 19328 H1 TIP3 4445 -27.527 15.361 24.434 0.00 0.00 SOLV ATOM 19329 H2 TIP3 4445 -26.051 15.062 24.339 0.00 0.00 SOLV ATOM 19330 OH2 TIP3 4446 12.298 13.918 21.000 0.00 0.00 SOLV ATOM 19331 H1 TIP3 4446 12.177 13.060 20.544 0.00 0.00 SOLV ATOM 19332 H2 TIP3 4446 12.554 13.622 21.926 0.00 0.00 SOLV ATOM 19333 OH2 TIP3 4447 -9.541 12.464 38.538 0.00 0.00 SOLV ATOM 19334 H1 TIP3 4447 -10.174 12.329 39.258 0.00 0.00 SOLV ATOM 19335 H2 TIP3 4447 -9.583 11.683 38.052 0.00 0.00 SOLV ATOM 19336 OH2 TIP3 4448 -14.916 -41.396 31.440 0.00 0.00 SOLV ATOM 19337 H1 TIP3 4448 -14.625 -40.741 30.820 0.00 0.00 SOLV ATOM 19338 H2 TIP3 4448 -14.134 -41.894 31.709 0.00 0.00 SOLV ATOM 19339 OH2 TIP3 4449 0.163 -43.563 11.622 0.00 0.00 SOLV ATOM 19340 H1 TIP3 4449 -0.424 -43.581 12.420 0.00 0.00 SOLV ATOM 19341 H2 TIP3 4449 0.415 -44.563 11.613 0.00 0.00 SOLV ATOM 19342 OH2 TIP3 4450 -0.205 14.367 21.697 0.00 0.00 SOLV ATOM 19343 H1 TIP3 4450 0.426 13.664 21.606 0.00 0.00 SOLV ATOM 19344 H2 TIP3 4450 -0.023 14.761 22.624 0.00 0.00 SOLV ATOM 19345 OH2 TIP3 4451 -20.311 -1.217 24.320 0.00 0.00 SOLV ATOM 19346 H1 TIP3 4451 -20.772 -0.442 23.859 0.00 0.00 SOLV ATOM 19347 H2 TIP3 4451 -20.774 -1.398 25.097 0.00 0.00 SOLV ATOM 19348 OH2 TIP3 4452 -24.494 -1.223 24.392 0.00 0.00 SOLV ATOM 19349 H1 TIP3 4452 -24.776 -2.106 24.624 0.00 0.00 SOLV ATOM 19350 H2 TIP3 4452 -23.643 -1.161 24.763 0.00 0.00 SOLV ATOM 19351 OH2 TIP3 4453 -18.321 0.149 47.090 0.00 0.00 SOLV ATOM 19352 H1 TIP3 4453 -18.623 -0.571 46.574 0.00 0.00 SOLV ATOM 19353 H2 TIP3 4453 -19.159 0.555 47.317 0.00 0.00 SOLV ATOM 19354 OH2 TIP3 4454 -5.884 3.325 45.448 0.00 0.00 SOLV ATOM 19355 H1 TIP3 4454 -6.136 2.748 46.237 0.00 0.00 SOLV ATOM 19356 H2 TIP3 4454 -5.317 3.997 45.844 0.00 0.00 SOLV ATOM 19357 OH2 TIP3 4455 1.145 13.865 38.258 0.00 0.00 SOLV ATOM 19358 H1 TIP3 4455 2.113 13.896 38.347 0.00 0.00 SOLV ATOM 19359 H2 TIP3 4455 0.867 14.820 38.308 0.00 0.00 SOLV ATOM 19360 OH2 TIP3 4456 -5.406 8.746 45.508 0.00 0.00 SOLV ATOM 19361 H1 TIP3 4456 -4.455 8.538 45.431 0.00 0.00 SOLV ATOM 19362 H2 TIP3 4456 -5.765 8.858 44.593 0.00 0.00 SOLV ATOM 19363 OH2 TIP3 4457 -12.785 10.005 37.280 0.00 0.00 SOLV ATOM 19364 H1 TIP3 4457 -11.880 10.252 36.986 0.00 0.00 SOLV ATOM 19365 H2 TIP3 4457 -12.674 9.099 37.636 0.00 0.00 SOLV ATOM 19366 OH2 TIP3 4458 -2.078 18.538 15.708 0.00 0.00 SOLV ATOM 19367 H1 TIP3 4458 -2.053 19.511 15.814 0.00 0.00 SOLV ATOM 19368 H2 TIP3 4458 -2.311 18.141 16.582 0.00 0.00 SOLV ATOM 19369 OH2 TIP3 4459 -10.868 11.808 34.438 0.00 0.00 SOLV ATOM 19370 H1 TIP3 4459 -9.995 12.213 34.615 0.00 0.00 SOLV ATOM 19371 H2 TIP3 4459 -10.657 10.905 34.390 0.00 0.00 SOLV ATOM 19372 OH2 TIP3 4460 14.617 15.437 -21.041 0.00 0.00 SOLV ATOM 19373 H1 TIP3 4460 14.887 15.579 -20.141 0.00 0.00 SOLV ATOM 19374 H2 TIP3 4460 14.744 14.486 -21.205 0.00 0.00 SOLV ATOM 19375 OH2 TIP3 4461 -20.435 12.187 9.703 0.00 0.00 SOLV ATOM 19376 H1 TIP3 4461 -21.349 12.222 9.997 0.00 0.00 SOLV ATOM 19377 H2 TIP3 4461 -19.995 11.928 10.521 0.00 0.00 SOLV ATOM 19378 OH2 TIP3 4462 7.601 18.822 5.909 0.00 0.00 SOLV ATOM 19379 H1 TIP3 4462 8.107 19.473 5.382 0.00 0.00 SOLV ATOM 19380 H2 TIP3 4462 7.721 19.105 6.833 0.00 0.00 SOLV ATOM 19381 OH2 TIP3 4463 -6.681 5.987 43.776 0.00 0.00 SOLV ATOM 19382 H1 TIP3 4463 -7.199 6.737 43.755 0.00 0.00 SOLV ATOM 19383 H2 TIP3 4463 -6.746 5.688 44.688 0.00 0.00 SOLV ATOM 19384 OH2 TIP3 4464 2.466 16.161 35.175 0.00 0.00 SOLV ATOM 19385 H1 TIP3 4464 1.719 16.374 34.621 0.00 0.00 SOLV ATOM 19386 H2 TIP3 4464 2.711 15.284 34.840 0.00 0.00 SOLV ATOM 19387 OH2 TIP3 4465 -0.272 -27.492 8.251 0.00 0.00 SOLV ATOM 19388 H1 TIP3 4465 -0.884 -26.880 7.786 0.00 0.00 SOLV ATOM 19389 H2 TIP3 4465 0.486 -26.884 8.488 0.00 0.00 SOLV ATOM 19390 OH2 TIP3 4466 21.234 7.647 16.594 0.00 0.00 SOLV ATOM 19391 H1 TIP3 4466 21.363 6.725 16.674 0.00 0.00 SOLV ATOM 19392 H2 TIP3 4466 21.845 8.052 17.208 0.00 0.00 SOLV ATOM 19393 OH2 TIP3 4467 6.717 9.878 34.869 0.00 0.00 SOLV ATOM 19394 H1 TIP3 4467 6.142 9.760 34.069 0.00 0.00 SOLV ATOM 19395 H2 TIP3 4467 6.799 10.773 34.941 0.00 0.00 SOLV ATOM 19396 OH2 TIP3 4468 -23.988 -1.838 16.112 0.00 0.00 SOLV ATOM 19397 H1 TIP3 4468 -24.466 -1.023 16.321 0.00 0.00 SOLV ATOM 19398 H2 TIP3 4468 -24.054 -1.862 15.155 0.00 0.00 SOLV ATOM 19399 OH2 TIP3 4469 -20.722 -36.466 24.491 0.00 0.00 SOLV ATOM 19400 H1 TIP3 4469 -21.085 -37.071 23.816 0.00 0.00 SOLV ATOM 19401 H2 TIP3 4469 -19.869 -36.948 24.838 0.00 0.00 SOLV ATOM 19402 OH2 TIP3 4470 -8.941 15.894 21.208 0.00 0.00 SOLV ATOM 19403 H1 TIP3 4470 -8.704 15.780 22.154 0.00 0.00 SOLV ATOM 19404 H2 TIP3 4470 -9.835 15.499 21.111 0.00 0.00 SOLV ATOM 19405 OH2 TIP3 4471 -5.508 -38.378 28.207 0.00 0.00 SOLV ATOM 19406 H1 TIP3 4471 -6.498 -38.437 28.386 0.00 0.00 SOLV ATOM 19407 H2 TIP3 4471 -5.490 -38.719 27.310 0.00 0.00 SOLV ATOM 19408 OH2 TIP3 4472 -7.263 -28.442 49.837 0.00 0.00 SOLV ATOM 19409 H1 TIP3 4472 -7.125 -29.188 49.216 0.00 0.00 SOLV ATOM 19410 H2 TIP3 4472 -7.386 -28.971 50.642 0.00 0.00 SOLV ATOM 19411 OH2 TIP3 4473 -2.534 -25.978 7.780 0.00 0.00 SOLV ATOM 19412 H1 TIP3 4473 -3.051 -25.151 7.732 0.00 0.00 SOLV ATOM 19413 H2 TIP3 4473 -3.141 -26.478 8.295 0.00 0.00 SOLV ATOM 19414 OH2 TIP3 4474 -8.748 -45.879 13.149 0.00 0.00 SOLV ATOM 19415 H1 TIP3 4474 -8.648 -46.136 14.066 0.00 0.00 SOLV ATOM 19416 H2 TIP3 4474 -8.231 -46.581 12.695 0.00 0.00 SOLV ATOM 19417 OH2 TIP3 4475 11.542 10.285 36.089 0.00 0.00 SOLV ATOM 19418 H1 TIP3 4475 10.882 9.805 36.630 0.00 0.00 SOLV ATOM 19419 H2 TIP3 4475 12.419 9.924 36.435 0.00 0.00 SOLV ATOM 19420 OH2 TIP3 4476 8.087 12.682 22.050 0.00 0.00 SOLV ATOM 19421 H1 TIP3 4476 8.589 12.163 22.690 0.00 0.00 SOLV ATOM 19422 H2 TIP3 4476 8.589 12.588 21.213 0.00 0.00 SOLV ATOM 19423 OH2 TIP3 4477 -13.735 -11.046 9.802 0.00 0.00 SOLV ATOM 19424 H1 TIP3 4477 -12.762 -11.085 9.894 0.00 0.00 SOLV ATOM 19425 H2 TIP3 4477 -14.002 -11.037 10.732 0.00 0.00 SOLV ATOM 19426 OH2 TIP3 4478 -14.092 -32.729 46.207 0.00 0.00 SOLV ATOM 19427 H1 TIP3 4478 -13.439 -33.201 46.769 0.00 0.00 SOLV ATOM 19428 H2 TIP3 4478 -13.884 -33.132 45.329 0.00 0.00 SOLV ATOM 19429 OH2 TIP3 4479 -0.480 11.124 47.853 0.00 0.00 SOLV ATOM 19430 H1 TIP3 4479 0.457 11.122 48.238 0.00 0.00 SOLV ATOM 19431 H2 TIP3 4479 -0.404 10.395 47.175 0.00 0.00 SOLV ATOM 19432 OH2 TIP3 4480 -15.206 -7.096 -16.666 0.00 0.00 SOLV ATOM 19433 H1 TIP3 4480 -15.006 -7.571 -15.861 0.00 0.00 SOLV ATOM 19434 H2 TIP3 4480 -16.109 -6.802 -16.552 0.00 0.00 SOLV ATOM 19435 OH2 TIP3 4481 -5.302 -34.813 15.318 0.00 0.00 SOLV ATOM 19436 H1 TIP3 4481 -5.994 -34.765 14.635 0.00 0.00 SOLV ATOM 19437 H2 TIP3 4481 -4.514 -35.154 14.859 0.00 0.00 SOLV ATOM 19438 OH2 TIP3 4482 -3.459 -41.996 24.790 0.00 0.00 SOLV ATOM 19439 H1 TIP3 4482 -3.533 -43.000 24.850 0.00 0.00 SOLV ATOM 19440 H2 TIP3 4482 -4.283 -41.816 24.325 0.00 0.00 SOLV ATOM 19441 OH2 TIP3 4483 -6.292 -39.140 15.159 0.00 0.00 SOLV ATOM 19442 H1 TIP3 4483 -6.584 -40.033 15.242 0.00 0.00 SOLV ATOM 19443 H2 TIP3 4483 -6.812 -38.835 14.420 0.00 0.00 SOLV ATOM 19444 OH2 TIP3 4484 7.325 -35.602 13.949 0.00 0.00 SOLV ATOM 19445 H1 TIP3 4484 6.879 -35.919 14.766 0.00 0.00 SOLV ATOM 19446 H2 TIP3 4484 6.620 -35.087 13.597 0.00 0.00 SOLV ATOM 19447 OH2 TIP3 4485 -14.016 -41.999 24.000 0.00 0.00 SOLV ATOM 19448 H1 TIP3 4485 -13.298 -42.663 24.177 0.00 0.00 SOLV ATOM 19449 H2 TIP3 4485 -14.546 -41.952 24.823 0.00 0.00 SOLV ATOM 19450 OH2 TIP3 4486 -15.080 7.167 35.808 0.00 0.00 SOLV ATOM 19451 H1 TIP3 4486 -14.362 6.742 36.319 0.00 0.00 SOLV ATOM 19452 H2 TIP3 4486 -14.806 7.005 34.864 0.00 0.00 SOLV ATOM 19453 OH2 TIP3 4487 -5.079 -30.772 39.652 0.00 0.00 SOLV ATOM 19454 H1 TIP3 4487 -5.069 -30.257 40.450 0.00 0.00 SOLV ATOM 19455 H2 TIP3 4487 -4.645 -31.549 39.911 0.00 0.00 SOLV ATOM 19456 OH2 TIP3 4488 -16.513 -31.641 47.321 0.00 0.00 SOLV ATOM 19457 H1 TIP3 4488 -15.666 -31.969 46.912 0.00 0.00 SOLV ATOM 19458 H2 TIP3 4488 -16.281 -30.757 47.657 0.00 0.00 SOLV ATOM 19459 OH2 TIP3 4489 -0.124 -39.680 10.268 0.00 0.00 SOLV ATOM 19460 H1 TIP3 4489 -0.092 -39.730 9.324 0.00 0.00 SOLV ATOM 19461 H2 TIP3 4489 -0.989 -39.420 10.477 0.00 0.00 SOLV ATOM 19462 OH2 TIP3 4490 -13.190 -35.090 11.602 0.00 0.00 SOLV ATOM 19463 H1 TIP3 4490 -14.138 -35.324 11.477 0.00 0.00 SOLV ATOM 19464 H2 TIP3 4490 -13.169 -34.361 12.225 0.00 0.00 SOLV ATOM 19465 OH2 TIP3 4491 -5.435 8.312 31.579 0.00 0.00 SOLV ATOM 19466 H1 TIP3 4491 -4.824 7.569 31.556 0.00 0.00 SOLV ATOM 19467 H2 TIP3 4491 -4.919 9.016 31.193 0.00 0.00 SOLV ATOM 19468 OH2 TIP3 4492 3.836 -32.692 27.666 0.00 0.00 SOLV ATOM 19469 H1 TIP3 4492 3.805 -31.845 28.037 0.00 0.00 SOLV ATOM 19470 H2 TIP3 4492 4.774 -32.847 27.549 0.00 0.00 SOLV ATOM 19471 OH2 TIP3 4493 -14.782 15.587 26.349 0.00 0.00 SOLV ATOM 19472 H1 TIP3 4493 -13.794 15.707 26.542 0.00 0.00 SOLV ATOM 19473 H2 TIP3 4493 -15.161 15.328 27.142 0.00 0.00 SOLV ATOM 19474 OH2 TIP3 4494 -11.521 14.802 30.349 0.00 0.00 SOLV ATOM 19475 H1 TIP3 4494 -10.931 15.539 30.534 0.00 0.00 SOLV ATOM 19476 H2 TIP3 4494 -11.039 14.074 30.723 0.00 0.00 SOLV ATOM 19477 OH2 TIP3 4495 -6.913 -45.808 22.806 0.00 0.00 SOLV ATOM 19478 H1 TIP3 4495 -6.438 -45.864 21.974 0.00 0.00 SOLV ATOM 19479 H2 TIP3 4495 -7.869 -45.814 22.441 0.00 0.00 SOLV ATOM 19480 OH2 TIP3 4496 -1.654 -35.028 38.564 0.00 0.00 SOLV ATOM 19481 H1 TIP3 4496 -1.765 -34.600 37.698 0.00 0.00 SOLV ATOM 19482 H2 TIP3 4496 -0.663 -35.363 38.508 0.00 0.00 SOLV ATOM 19483 OH2 TIP3 4497 -15.011 -29.002 50.667 0.00 0.00 SOLV ATOM 19484 H1 TIP3 4497 -15.880 -29.485 50.411 0.00 0.00 SOLV ATOM 19485 H2 TIP3 4497 -14.413 -29.690 50.994 0.00 0.00 SOLV ATOM 19486 OH2 TIP3 4498 6.835 -38.655 27.181 0.00 0.00 SOLV ATOM 19487 H1 TIP3 4498 6.222 -38.262 26.521 0.00 0.00 SOLV ATOM 19488 H2 TIP3 4498 7.230 -39.339 26.551 0.00 0.00 SOLV ATOM 19489 OH2 TIP3 4499 -14.695 -16.380 40.288 0.00 0.00 SOLV ATOM 19490 H1 TIP3 4499 -13.783 -16.664 40.173 0.00 0.00 SOLV ATOM 19491 H2 TIP3 4499 -15.016 -16.265 39.356 0.00 0.00 SOLV ATOM 19492 OH2 TIP3 4500 12.448 -36.761 15.227 0.00 0.00 SOLV ATOM 19493 H1 TIP3 4500 12.987 -37.298 14.635 0.00 0.00 SOLV ATOM 19494 H2 TIP3 4500 12.947 -35.847 15.239 0.00 0.00 SOLV ATOM 19495 OH2 TIP3 4501 9.361 -12.618 38.011 0.00 0.00 SOLV ATOM 19496 H1 TIP3 4501 9.919 -13.011 38.737 0.00 0.00 SOLV ATOM 19497 H2 TIP3 4501 9.084 -11.822 38.398 0.00 0.00 SOLV ATOM 19498 OH2 TIP3 4502 -6.006 -41.738 20.440 0.00 0.00 SOLV ATOM 19499 H1 TIP3 4502 -6.153 -42.672 20.432 0.00 0.00 SOLV ATOM 19500 H2 TIP3 4502 -6.803 -41.325 20.793 0.00 0.00 SOLV ATOM 19501 OH2 TIP3 4503 -14.410 -33.296 34.589 0.00 0.00 SOLV ATOM 19502 H1 TIP3 4503 -15.097 -32.640 34.558 0.00 0.00 SOLV ATOM 19503 H2 TIP3 4503 -14.924 -34.054 34.933 0.00 0.00 SOLV ATOM 19504 OH2 TIP3 4504 -12.896 -33.320 39.121 0.00 0.00 SOLV ATOM 19505 H1 TIP3 4504 -12.619 -34.232 39.218 0.00 0.00 SOLV ATOM 19506 H2 TIP3 4504 -12.382 -32.820 39.716 0.00 0.00 SOLV ATOM 19507 OH2 TIP3 4505 10.866 -28.495 12.650 0.00 0.00 SOLV ATOM 19508 H1 TIP3 4505 9.944 -28.172 12.789 0.00 0.00 SOLV ATOM 19509 H2 TIP3 4505 11.216 -28.412 13.627 0.00 0.00 SOLV ATOM 19510 OH2 TIP3 4506 -1.321 -38.581 13.252 0.00 0.00 SOLV ATOM 19511 H1 TIP3 4506 -2.025 -39.158 13.519 0.00 0.00 SOLV ATOM 19512 H2 TIP3 4506 -1.345 -38.563 12.269 0.00 0.00 SOLV ATOM 19513 OH2 TIP3 4507 -15.915 -35.609 39.033 0.00 0.00 SOLV ATOM 19514 H1 TIP3 4507 -15.127 -35.654 39.681 0.00 0.00 SOLV ATOM 19515 H2 TIP3 4507 -16.369 -34.785 39.277 0.00 0.00 SOLV ATOM 19516 OH2 TIP3 4508 12.691 -21.454 18.040 0.00 0.00 SOLV ATOM 19517 H1 TIP3 4508 12.793 -22.227 17.468 0.00 0.00 SOLV ATOM 19518 H2 TIP3 4508 13.153 -20.772 17.558 0.00 0.00 SOLV ATOM 19519 OH2 TIP3 4509 -13.703 -37.112 25.130 0.00 0.00 SOLV ATOM 19520 H1 TIP3 4509 -14.535 -36.570 25.437 0.00 0.00 SOLV ATOM 19521 H2 TIP3 4509 -13.030 -36.402 25.115 0.00 0.00 SOLV ATOM 19522 OH2 TIP3 4510 -0.689 -36.092 33.820 0.00 0.00 SOLV ATOM 19523 H1 TIP3 4510 0.078 -36.669 33.672 0.00 0.00 SOLV ATOM 19524 H2 TIP3 4510 -0.478 -35.630 34.684 0.00 0.00 SOLV ATOM 19525 OH2 TIP3 4511 -2.557 -37.035 41.407 0.00 0.00 SOLV ATOM 19526 H1 TIP3 4511 -1.679 -36.601 41.630 0.00 0.00 SOLV ATOM 19527 H2 TIP3 4511 -2.614 -37.648 42.163 0.00 0.00 SOLV ATOM 19528 OH2 TIP3 4512 -6.785 -15.809 53.955 0.00 0.00 SOLV ATOM 19529 H1 TIP3 4512 -7.563 -16.307 54.245 0.00 0.00 SOLV ATOM 19530 H2 TIP3 4512 -6.154 -16.471 53.963 0.00 0.00 SOLV ATOM 19531 OH2 TIP3 4513 -11.965 -33.761 27.460 0.00 0.00 SOLV ATOM 19532 H1 TIP3 4513 -12.749 -33.654 27.996 0.00 0.00 SOLV ATOM 19533 H2 TIP3 4513 -11.258 -33.830 28.134 0.00 0.00 SOLV ATOM 19534 OH2 TIP3 4514 -8.632 -40.230 8.359 0.00 0.00 SOLV ATOM 19535 H1 TIP3 4514 -9.506 -39.971 8.558 0.00 0.00 SOLV ATOM 19536 H2 TIP3 4514 -8.694 -40.907 7.606 0.00 0.00 SOLV ATOM 19537 OH2 TIP3 4515 -7.670 -36.690 25.015 0.00 0.00 SOLV ATOM 19538 H1 TIP3 4515 -8.086 -36.300 25.844 0.00 0.00 SOLV ATOM 19539 H2 TIP3 4515 -8.387 -37.302 24.724 0.00 0.00 SOLV ATOM 19540 OH2 TIP3 4516 -6.517 -26.431 35.426 0.00 0.00 SOLV ATOM 19541 H1 TIP3 4516 -7.096 -26.912 36.132 0.00 0.00 SOLV ATOM 19542 H2 TIP3 4516 -6.182 -27.125 34.879 0.00 0.00 SOLV ATOM 19543 OH2 TIP3 4517 2.501 -32.290 30.202 0.00 0.00 SOLV ATOM 19544 H1 TIP3 4517 3.102 -32.362 30.950 0.00 0.00 SOLV ATOM 19545 H2 TIP3 4517 2.888 -32.881 29.583 0.00 0.00 SOLV ATOM 19546 OH2 TIP3 4518 -11.612 -35.781 39.663 0.00 0.00 SOLV ATOM 19547 H1 TIP3 4518 -10.655 -35.708 39.852 0.00 0.00 SOLV ATOM 19548 H2 TIP3 4518 -11.711 -36.679 39.384 0.00 0.00 SOLV ATOM 19549 OH2 TIP3 4519 -13.297 -20.432 48.382 0.00 0.00 SOLV ATOM 19550 H1 TIP3 4519 -14.238 -20.681 48.255 0.00 0.00 SOLV ATOM 19551 H2 TIP3 4519 -12.987 -20.487 47.458 0.00 0.00 SOLV ATOM 19552 OH2 TIP3 4520 -2.833 -37.265 35.136 0.00 0.00 SOLV ATOM 19553 H1 TIP3 4520 -3.419 -36.550 34.892 0.00 0.00 SOLV ATOM 19554 H2 TIP3 4520 -2.089 -37.189 34.543 0.00 0.00 SOLV ATOM 19555 OH2 TIP3 4521 1.150 -20.236 51.211 0.00 0.00 SOLV ATOM 19556 H1 TIP3 4521 1.829 -20.757 50.672 0.00 0.00 SOLV ATOM 19557 H2 TIP3 4521 1.416 -20.274 52.084 0.00 0.00 SOLV ATOM 19558 OH2 TIP3 4522 -3.924 -36.771 38.655 0.00 0.00 SOLV ATOM 19559 H1 TIP3 4522 -4.348 -36.228 37.978 0.00 0.00 SOLV ATOM 19560 H2 TIP3 4522 -3.125 -36.396 38.944 0.00 0.00 SOLV ATOM 19561 OH2 TIP3 4523 2.409 -36.832 9.906 0.00 0.00 SOLV ATOM 19562 H1 TIP3 4523 1.679 -37.089 9.413 0.00 0.00 SOLV ATOM 19563 H2 TIP3 4523 2.924 -37.695 10.120 0.00 0.00 SOLV ATOM 19564 OH2 TIP3 4524 -5.360 -14.050 2.655 0.00 0.00 SOLV ATOM 19565 H1 TIP3 4524 -4.541 -13.520 2.548 0.00 0.00 SOLV ATOM 19566 H2 TIP3 4524 -5.143 -14.650 3.513 0.00 0.00 SOLV ATOM 19567 OH2 TIP3 4525 -0.901 -37.363 18.735 0.00 0.00 SOLV ATOM 19568 H1 TIP3 4525 -1.110 -37.676 19.626 0.00 0.00 SOLV ATOM 19569 H2 TIP3 4525 -1.815 -37.017 18.424 0.00 0.00 SOLV ATOM 19570 OH2 TIP3 4526 -9.899 -27.256 27.809 0.00 0.00 SOLV ATOM 19571 H1 TIP3 4526 -8.963 -27.516 27.814 0.00 0.00 SOLV ATOM 19572 H2 TIP3 4526 -10.356 -28.138 27.784 0.00 0.00 SOLV ATOM 19573 OH2 TIP3 4527 5.833 -24.854 38.068 0.00 0.00 SOLV ATOM 19574 H1 TIP3 4527 5.900 -25.647 37.644 0.00 0.00 SOLV ATOM 19575 H2 TIP3 4527 4.961 -24.510 37.838 0.00 0.00 SOLV ATOM 19576 OH2 TIP3 4528 -5.353 -37.204 32.357 0.00 0.00 SOLV ATOM 19577 H1 TIP3 4528 -4.605 -36.719 32.111 0.00 0.00 SOLV ATOM 19578 H2 TIP3 4528 -5.807 -36.517 32.975 0.00 0.00 SOLV ATOM 19579 OH2 TIP3 4529 7.824 -31.718 35.576 0.00 0.00 SOLV ATOM 19580 H1 TIP3 4529 7.290 -31.466 36.333 0.00 0.00 SOLV ATOM 19581 H2 TIP3 4529 8.459 -32.399 35.857 0.00 0.00 SOLV ATOM 19582 OH2 TIP3 4530 -12.665 -33.521 30.172 0.00 0.00 SOLV ATOM 19583 H1 TIP3 4530 -12.093 -32.963 30.649 0.00 0.00 SOLV ATOM 19584 H2 TIP3 4530 -12.330 -34.410 30.313 0.00 0.00 SOLV ATOM 19585 OH2 TIP3 4531 1.197 -31.420 41.528 0.00 0.00 SOLV ATOM 19586 H1 TIP3 4531 1.880 -31.988 41.155 0.00 0.00 SOLV ATOM 19587 H2 TIP3 4531 0.780 -30.989 40.748 0.00 0.00 SOLV ATOM 19588 OH2 TIP3 4532 -10.699 -20.902 50.112 0.00 0.00 SOLV ATOM 19589 H1 TIP3 4532 -11.573 -21.063 49.700 0.00 0.00 SOLV ATOM 19590 H2 TIP3 4532 -10.367 -20.167 49.585 0.00 0.00 SOLV ATOM 19591 OH2 TIP3 4533 7.002 -39.530 11.862 0.00 0.00 SOLV ATOM 19592 H1 TIP3 4533 6.117 -39.472 12.220 0.00 0.00 SOLV ATOM 19593 H2 TIP3 4533 7.498 -39.163 12.627 0.00 0.00 SOLV ATOM 19594 OH2 TIP3 4534 -21.079 -23.588 24.284 0.00 0.00 SOLV ATOM 19595 H1 TIP3 4534 -21.133 -22.920 25.016 0.00 0.00 SOLV ATOM 19596 H2 TIP3 4534 -20.161 -23.993 24.437 0.00 0.00 SOLV ATOM 19597 OH2 TIP3 4535 -11.865 -15.097 44.840 0.00 0.00 SOLV ATOM 19598 H1 TIP3 4535 -11.803 -14.869 43.943 0.00 0.00 SOLV ATOM 19599 H2 TIP3 4535 -11.719 -14.222 45.238 0.00 0.00 SOLV ATOM 19600 OH2 TIP3 4536 -3.325 -7.059 39.746 0.00 0.00 SOLV ATOM 19601 H1 TIP3 4536 -3.134 -7.842 40.298 0.00 0.00 SOLV ATOM 19602 H2 TIP3 4536 -3.359 -7.508 38.850 0.00 0.00 SOLV ATOM 19603 OH2 TIP3 4537 -3.357 -17.458 48.750 0.00 0.00 SOLV ATOM 19604 H1 TIP3 4537 -3.075 -18.282 49.181 0.00 0.00 SOLV ATOM 19605 H2 TIP3 4537 -3.671 -17.009 49.574 0.00 0.00 SOLV ATOM 19606 OH2 TIP3 4538 -7.104 -25.518 53.493 0.00 0.00 SOLV ATOM 19607 H1 TIP3 4538 -6.347 -25.439 54.098 0.00 0.00 SOLV ATOM 19608 H2 TIP3 4538 -6.535 -25.647 52.660 0.00 0.00 SOLV ATOM 19609 OH2 TIP3 4539 14.619 -16.800 13.267 0.00 0.00 SOLV ATOM 19610 H1 TIP3 4539 13.788 -16.387 13.579 0.00 0.00 SOLV ATOM 19611 H2 TIP3 4539 14.302 -17.436 12.663 0.00 0.00 SOLV ATOM 19612 OH2 TIP3 4540 -1.136 -20.208 2.880 0.00 0.00 SOLV ATOM 19613 H1 TIP3 4540 -1.818 -19.699 3.415 0.00 0.00 SOLV ATOM 19614 H2 TIP3 4540 -0.652 -20.681 3.574 0.00 0.00 SOLV ATOM 19615 OH2 TIP3 4541 -1.832 -26.086 44.826 0.00 0.00 SOLV ATOM 19616 H1 TIP3 4541 -2.318 -26.873 45.271 0.00 0.00 SOLV ATOM 19617 H2 TIP3 4541 -2.170 -25.287 45.317 0.00 0.00 SOLV ATOM 19618 OH2 TIP3 4542 -4.945 -25.888 46.829 0.00 0.00 SOLV ATOM 19619 H1 TIP3 4542 -5.385 -25.720 46.004 0.00 0.00 SOLV ATOM 19620 H2 TIP3 4542 -3.999 -25.627 46.710 0.00 0.00 SOLV ATOM 19621 OH2 TIP3 4543 -4.332 -27.357 41.183 0.00 0.00 SOLV ATOM 19622 H1 TIP3 4543 -3.821 -26.583 40.819 0.00 0.00 SOLV ATOM 19623 H2 TIP3 4543 -5.239 -26.981 41.364 0.00 0.00 SOLV ATOM 19624 OH2 TIP3 4544 -18.247 -5.511 38.160 0.00 0.00 SOLV ATOM 19625 H1 TIP3 4544 -18.204 -4.544 38.219 0.00 0.00 SOLV ATOM 19626 H2 TIP3 4544 -18.778 -5.704 38.949 0.00 0.00 SOLV ATOM 19627 OH2 TIP3 4545 -2.596 -25.088 49.292 0.00 0.00 SOLV ATOM 19628 H1 TIP3 4545 -2.257 -25.558 50.050 0.00 0.00 SOLV ATOM 19629 H2 TIP3 4545 -3.254 -24.459 49.660 0.00 0.00 SOLV ATOM 19630 OH2 TIP3 4546 -22.002 -17.213 19.773 0.00 0.00 SOLV ATOM 19631 H1 TIP3 4546 -22.730 -17.579 20.309 0.00 0.00 SOLV ATOM 19632 H2 TIP3 4546 -21.203 -17.740 20.046 0.00 0.00 SOLV ATOM 19633 OH2 TIP3 4547 8.645 -14.401 44.454 0.00 0.00 SOLV ATOM 19634 H1 TIP3 4547 9.608 -14.207 44.441 0.00 0.00 SOLV ATOM 19635 H2 TIP3 4547 8.571 -15.309 44.830 0.00 0.00 SOLV ATOM 19636 OH2 TIP3 4548 2.687 -12.643 54.707 0.00 0.00 SOLV ATOM 19637 H1 TIP3 4548 2.892 -12.144 55.472 0.00 0.00 SOLV ATOM 19638 H2 TIP3 4548 2.735 -13.595 55.065 0.00 0.00 SOLV ATOM 19639 OH2 TIP3 4549 9.255 -17.853 50.424 0.00 0.00 SOLV ATOM 19640 H1 TIP3 4549 8.680 -17.753 49.639 0.00 0.00 SOLV ATOM 19641 H2 TIP3 4549 9.747 -18.635 50.121 0.00 0.00 SOLV ATOM 19642 OH2 TIP3 4550 -2.449 3.571 36.658 0.00 0.00 SOLV ATOM 19643 H1 TIP3 4550 -2.351 2.597 36.726 0.00 0.00 SOLV ATOM 19644 H2 TIP3 4550 -3.161 3.742 37.244 0.00 0.00 SOLV ATOM 19645 OH2 TIP3 4551 -0.006 -8.490 44.002 0.00 0.00 SOLV ATOM 19646 H1 TIP3 4551 -0.106 -8.592 44.945 0.00 0.00 SOLV ATOM 19647 H2 TIP3 4551 -0.297 -9.371 43.638 0.00 0.00 SOLV ATOM 19648 OH2 TIP3 4552 -24.164 -15.034 22.322 0.00 0.00 SOLV ATOM 19649 H1 TIP3 4552 -23.193 -15.188 22.416 0.00 0.00 SOLV ATOM 19650 H2 TIP3 4552 -24.512 -15.095 23.227 0.00 0.00 SOLV ATOM 19651 OH2 TIP3 4553 -10.780 -12.602 -8.458 0.00 0.00 SOLV ATOM 19652 H1 TIP3 4553 -10.185 -13.267 -8.888 0.00 0.00 SOLV ATOM 19653 H2 TIP3 4553 -11.370 -12.412 -9.184 0.00 0.00 SOLV ATOM 19654 OH2 TIP3 4554 4.047 -19.790 48.170 0.00 0.00 SOLV ATOM 19655 H1 TIP3 4554 3.120 -19.745 48.170 0.00 0.00 SOLV ATOM 19656 H2 TIP3 4554 4.234 -19.897 47.241 0.00 0.00 SOLV ATOM 19657 OH2 TIP3 4555 -6.354 -20.093 54.737 0.00 0.00 SOLV ATOM 19658 H1 TIP3 4555 -6.899 -19.427 55.127 0.00 0.00 SOLV ATOM 19659 H2 TIP3 4555 -6.736 -20.967 55.016 0.00 0.00 SOLV ATOM 19660 OH2 TIP3 4556 -3.158 -0.747 41.524 0.00 0.00 SOLV ATOM 19661 H1 TIP3 4556 -3.700 -1.416 42.000 0.00 0.00 SOLV ATOM 19662 H2 TIP3 4556 -3.878 -0.376 40.917 0.00 0.00 SOLV ATOM 19663 OH2 TIP3 4557 -13.511 -4.693 20.023 0.00 0.00 SOLV ATOM 19664 H1 TIP3 4557 -13.801 -4.159 20.820 0.00 0.00 SOLV ATOM 19665 H2 TIP3 4557 -14.089 -5.505 19.945 0.00 0.00 SOLV ATOM 19666 OH2 TIP3 4558 -16.320 -26.726 42.899 0.00 0.00 SOLV ATOM 19667 H1 TIP3 4558 -16.885 -26.155 42.367 0.00 0.00 SOLV ATOM 19668 H2 TIP3 4558 -15.676 -27.027 42.247 0.00 0.00 SOLV ATOM 19669 OH2 TIP3 4559 -1.040 -8.490 54.460 0.00 0.00 SOLV ATOM 19670 H1 TIP3 4559 -0.824 -9.436 54.324 0.00 0.00 SOLV ATOM 19671 H2 TIP3 4559 -1.739 -8.546 55.109 0.00 0.00 SOLV ATOM 19672 OH2 TIP3 4560 -11.084 19.459 5.277 0.00 0.00 SOLV ATOM 19673 H1 TIP3 4560 -11.999 19.895 5.393 0.00 0.00 SOLV ATOM 19674 H2 TIP3 4560 -10.558 20.214 5.037 0.00 0.00 SOLV ATOM 19675 OH2 TIP3 4561 -11.156 -9.094 12.251 0.00 0.00 SOLV ATOM 19676 H1 TIP3 4561 -11.123 -9.772 11.549 0.00 0.00 SOLV ATOM 19677 H2 TIP3 4561 -10.260 -8.701 12.178 0.00 0.00 SOLV ATOM 19678 OH2 TIP3 4562 -14.502 -15.998 22.232 0.00 0.00 SOLV ATOM 19679 H1 TIP3 4562 -13.676 -15.590 21.919 0.00 0.00 SOLV ATOM 19680 H2 TIP3 4562 -15.030 -15.223 22.523 0.00 0.00 SOLV ATOM 19681 OH2 TIP3 4563 -1.917 -17.845 51.275 0.00 0.00 SOLV ATOM 19682 H1 TIP3 4563 -2.261 -18.595 51.799 0.00 0.00 SOLV ATOM 19683 H2 TIP3 4563 -0.965 -18.023 51.126 0.00 0.00 SOLV ATOM 19684 OH2 TIP3 4564 -3.765 -10.915 53.074 0.00 0.00 SOLV ATOM 19685 H1 TIP3 4564 -3.240 -11.602 53.484 0.00 0.00 SOLV ATOM 19686 H2 TIP3 4564 -3.958 -10.297 53.814 0.00 0.00 SOLV ATOM 19687 OH2 TIP3 4565 -1.334 -16.637 46.950 0.00 0.00 SOLV ATOM 19688 H1 TIP3 4565 -2.003 -16.783 46.230 0.00 0.00 SOLV ATOM 19689 H2 TIP3 4565 -1.929 -16.794 47.687 0.00 0.00 SOLV ATOM 19690 OH2 TIP3 4566 0.827 -7.177 52.550 0.00 0.00 SOLV ATOM 19691 H1 TIP3 4566 0.096 -7.525 53.160 0.00 0.00 SOLV ATOM 19692 H2 TIP3 4566 0.539 -7.496 51.653 0.00 0.00 SOLV ATOM 19693 OH2 TIP3 4567 -18.393 -5.228 23.367 0.00 0.00 SOLV ATOM 19694 H1 TIP3 4567 -18.873 -4.801 22.650 0.00 0.00 SOLV ATOM 19695 H2 TIP3 4567 -19.059 -5.520 23.921 0.00 0.00 SOLV ATOM 19696 OH2 TIP3 4568 11.595 -10.170 29.518 0.00 0.00 SOLV ATOM 19697 H1 TIP3 4568 12.167 -9.856 30.199 0.00 0.00 SOLV ATOM 19698 H2 TIP3 4568 10.748 -10.262 29.941 0.00 0.00 SOLV ATOM 19699 OH2 TIP3 4569 -4.114 -6.749 50.611 0.00 0.00 SOLV ATOM 19700 H1 TIP3 4569 -4.999 -6.940 50.993 0.00 0.00 SOLV ATOM 19701 H2 TIP3 4569 -3.749 -6.111 51.217 0.00 0.00 SOLV ATOM 19702 OH2 TIP3 4570 -20.828 15.862 21.322 0.00 0.00 SOLV ATOM 19703 H1 TIP3 4570 -21.194 15.770 22.213 0.00 0.00 SOLV ATOM 19704 H2 TIP3 4570 -20.014 16.322 21.446 0.00 0.00 SOLV ATOM 19705 OH2 TIP3 4571 11.428 4.244 34.579 0.00 0.00 SOLV ATOM 19706 H1 TIP3 4571 11.242 3.274 34.301 0.00 0.00 SOLV ATOM 19707 H2 TIP3 4571 12.182 4.121 35.094 0.00 0.00 SOLV ATOM 19708 OH2 TIP3 4572 -13.038 21.286 5.648 0.00 0.00 SOLV ATOM 19709 H1 TIP3 4572 -13.673 21.386 4.902 0.00 0.00 SOLV ATOM 19710 H2 TIP3 4572 -12.887 22.169 5.900 0.00 0.00 SOLV ATOM 19711 OH2 TIP3 4573 6.868 -14.211 42.166 0.00 0.00 SOLV ATOM 19712 H1 TIP3 4573 7.334 -14.304 42.999 0.00 0.00 SOLV ATOM 19713 H2 TIP3 4573 6.343 -13.403 42.359 0.00 0.00 SOLV ATOM 19714 OH2 TIP3 4574 -7.407 -11.236 47.764 0.00 0.00 SOLV ATOM 19715 H1 TIP3 4574 -6.954 -11.334 48.588 0.00 0.00 SOLV ATOM 19716 H2 TIP3 4574 -7.489 -10.316 47.662 0.00 0.00 SOLV ATOM 19717 OH2 TIP3 4575 -1.787 -4.672 44.508 0.00 0.00 SOLV ATOM 19718 H1 TIP3 4575 -2.111 -5.414 44.119 0.00 0.00 SOLV ATOM 19719 H2 TIP3 4575 -0.872 -4.854 44.358 0.00 0.00 SOLV ATOM 19720 OH2 TIP3 4576 -6.524 -7.440 13.665 0.00 0.00 SOLV ATOM 19721 H1 TIP3 4576 -6.957 -6.584 13.851 0.00 0.00 SOLV ATOM 19722 H2 TIP3 4576 -7.219 -7.841 13.098 0.00 0.00 SOLV ATOM 19723 OH2 TIP3 4577 -20.152 2.808 32.797 0.00 0.00 SOLV ATOM 19724 H1 TIP3 4577 -19.669 3.587 32.352 0.00 0.00 SOLV ATOM 19725 H2 TIP3 4577 -20.605 3.174 33.538 0.00 0.00 SOLV ATOM 19726 OH2 TIP3 4578 -0.690 0.827 34.197 0.00 0.00 SOLV ATOM 19727 H1 TIP3 4578 -1.002 0.445 33.374 0.00 0.00 SOLV ATOM 19728 H2 TIP3 4578 -0.723 1.776 34.005 0.00 0.00 SOLV ATOM 19729 OH2 TIP3 4579 10.161 -9.079 34.349 0.00 0.00 SOLV ATOM 19730 H1 TIP3 4579 9.607 -8.573 34.946 0.00 0.00 SOLV ATOM 19731 H2 TIP3 4579 9.726 -9.103 33.503 0.00 0.00 SOLV ATOM 19732 OH2 TIP3 4580 12.751 13.053 23.564 0.00 0.00 SOLV ATOM 19733 H1 TIP3 4580 12.087 13.718 23.897 0.00 0.00 SOLV ATOM 19734 H2 TIP3 4580 13.434 13.058 24.245 0.00 0.00 SOLV ATOM 19735 OH2 TIP3 4581 -15.259 9.027 40.349 0.00 0.00 SOLV ATOM 19736 H1 TIP3 4581 -15.595 9.389 39.517 0.00 0.00 SOLV ATOM 19737 H2 TIP3 4581 -15.134 8.036 40.084 0.00 0.00 SOLV ATOM 19738 OH2 TIP3 4582 4.081 7.016 -1.396 0.00 0.00 SOLV ATOM 19739 H1 TIP3 4582 3.413 6.333 -1.184 0.00 0.00 SOLV ATOM 19740 H2 TIP3 4582 3.857 7.188 -2.302 0.00 0.00 SOLV ATOM 19741 OH2 TIP3 4583 -2.412 12.626 32.006 0.00 0.00 SOLV ATOM 19742 H1 TIP3 4583 -1.465 12.550 32.305 0.00 0.00 SOLV ATOM 19743 H2 TIP3 4583 -2.388 13.476 31.484 0.00 0.00 SOLV ATOM 19744 OH2 TIP3 4584 -14.786 8.342 32.949 0.00 0.00 SOLV ATOM 19745 H1 TIP3 4584 -14.749 8.726 32.075 0.00 0.00 SOLV ATOM 19746 H2 TIP3 4584 -14.415 9.069 33.492 0.00 0.00 SOLV ATOM 19747 OH2 TIP3 4585 -11.781 9.436 42.698 0.00 0.00 SOLV ATOM 19748 H1 TIP3 4585 -11.123 9.853 43.283 0.00 0.00 SOLV ATOM 19749 H2 TIP3 4585 -12.532 10.116 42.462 0.00 0.00 SOLV ATOM 19750 OH2 TIP3 4586 -10.982 7.364 41.171 0.00 0.00 SOLV ATOM 19751 H1 TIP3 4586 -11.403 8.091 41.674 0.00 0.00 SOLV ATOM 19752 H2 TIP3 4586 -10.725 6.783 41.907 0.00 0.00 SOLV ATOM 19753 OH2 TIP3 4587 -21.281 3.129 40.748 0.00 0.00 SOLV ATOM 19754 H1 TIP3 4587 -21.601 4.046 40.760 0.00 0.00 SOLV ATOM 19755 H2 TIP3 4587 -21.040 3.014 39.858 0.00 0.00 SOLV ATOM 19756 OH2 TIP3 4588 -7.035 14.390 38.307 0.00 0.00 SOLV ATOM 19757 H1 TIP3 4588 -6.200 14.087 37.842 0.00 0.00 SOLV ATOM 19758 H2 TIP3 4588 -7.215 13.655 38.871 0.00 0.00 SOLV ATOM 19759 OH2 TIP3 4589 -7.961 10.597 43.766 0.00 0.00 SOLV ATOM 19760 H1 TIP3 4589 -8.231 10.703 44.707 0.00 0.00 SOLV ATOM 19761 H2 TIP3 4589 -8.291 9.727 43.543 0.00 0.00 SOLV ATOM 19762 OH2 TIP3 4590 -12.879 13.558 34.582 0.00 0.00 SOLV ATOM 19763 H1 TIP3 4590 -12.225 12.867 34.472 0.00 0.00 SOLV ATOM 19764 H2 TIP3 4590 -12.696 14.041 35.389 0.00 0.00 SOLV ATOM 19765 OH2 TIP3 4591 -28.330 11.346 16.920 0.00 0.00 SOLV ATOM 19766 H1 TIP3 4591 -28.986 12.076 17.018 0.00 0.00 SOLV ATOM 19767 H2 TIP3 4591 -28.803 10.608 17.447 0.00 0.00 SOLV ATOM 19768 OH2 TIP3 4592 -5.065 5.405 41.660 0.00 0.00 SOLV ATOM 19769 H1 TIP3 4592 -5.576 5.608 42.445 0.00 0.00 SOLV ATOM 19770 H2 TIP3 4592 -5.431 5.969 40.983 0.00 0.00 SOLV ATOM 19771 OH2 TIP3 4593 -4.878 7.094 38.424 0.00 0.00 SOLV ATOM 19772 H1 TIP3 4593 -4.963 7.288 37.506 0.00 0.00 SOLV ATOM 19773 H2 TIP3 4593 -4.291 6.261 38.443 0.00 0.00 SOLV ATOM 19774 OH2 TIP3 4594 -7.281 -5.495 44.136 0.00 0.00 SOLV ATOM 19775 H1 TIP3 4594 -7.837 -4.669 43.907 0.00 0.00 SOLV ATOM 19776 H2 TIP3 4594 -6.830 -5.324 44.996 0.00 0.00 SOLV ATOM 19777 OH2 TIP3 4595 8.596 8.371 -7.677 0.00 0.00 SOLV ATOM 19778 H1 TIP3 4595 7.751 8.110 -7.465 0.00 0.00 SOLV ATOM 19779 H2 TIP3 4595 8.493 8.761 -8.555 0.00 0.00 SOLV ATOM 19780 OH2 TIP3 4596 -15.353 0.955 36.434 0.00 0.00 SOLV ATOM 19781 H1 TIP3 4596 -15.718 0.236 37.011 0.00 0.00 SOLV ATOM 19782 H2 TIP3 4596 -16.087 1.527 36.329 0.00 0.00 SOLV ATOM 19783 OH2 TIP3 4597 -7.560 -1.001 47.524 0.00 0.00 SOLV ATOM 19784 H1 TIP3 4597 -7.471 -1.564 48.318 0.00 0.00 SOLV ATOM 19785 H2 TIP3 4597 -6.686 -1.215 47.119 0.00 0.00 SOLV ATOM 19786 OH2 TIP3 4598 -11.389 5.126 37.682 0.00 0.00 SOLV ATOM 19787 H1 TIP3 4598 -10.873 4.953 36.881 0.00 0.00 SOLV ATOM 19788 H2 TIP3 4598 -11.831 4.274 37.922 0.00 0.00 SOLV ATOM 19789 OH2 TIP3 4599 -2.234 5.672 47.476 0.00 0.00 SOLV ATOM 19790 H1 TIP3 4599 -2.808 5.867 46.707 0.00 0.00 SOLV ATOM 19791 H2 TIP3 4599 -2.786 4.994 47.893 0.00 0.00 SOLV ATOM 19792 OH2 TIP3 4600 -28.267 14.590 18.591 0.00 0.00 SOLV ATOM 19793 H1 TIP3 4600 -28.716 14.907 19.369 0.00 0.00 SOLV ATOM 19794 H2 TIP3 4600 -28.866 13.927 18.392 0.00 0.00 SOLV ATOM 19795 OH2 TIP3 4601 -9.783 17.685 26.163 0.00 0.00 SOLV ATOM 19796 H1 TIP3 4601 -10.043 16.918 26.704 0.00 0.00 SOLV ATOM 19797 H2 TIP3 4601 -9.727 18.417 26.795 0.00 0.00 SOLV ATOM 19798 OH2 TIP3 4602 -13.930 -46.015 22.131 0.00 0.00 SOLV ATOM 19799 H1 TIP3 4602 -13.956 -45.425 21.339 0.00 0.00 SOLV ATOM 19800 H2 TIP3 4602 -13.698 -46.929 21.817 0.00 0.00 SOLV ATOM 19801 OH2 TIP3 4603 -7.312 14.701 26.574 0.00 0.00 SOLV ATOM 19802 H1 TIP3 4603 -6.459 14.914 26.849 0.00 0.00 SOLV ATOM 19803 H2 TIP3 4603 -7.303 13.679 26.496 0.00 0.00 SOLV ATOM 19804 OH2 TIP3 4604 -15.500 -17.546 10.777 0.00 0.00 SOLV ATOM 19805 H1 TIP3 4604 -16.328 -17.101 10.600 0.00 0.00 SOLV ATOM 19806 H2 TIP3 4604 -15.631 -17.819 11.692 0.00 0.00 SOLV ATOM 19807 OH2 TIP3 4605 -15.285 6.379 39.938 0.00 0.00 SOLV ATOM 19808 H1 TIP3 4605 -15.421 5.939 39.097 0.00 0.00 SOLV ATOM 19809 H2 TIP3 4605 -14.404 6.077 40.172 0.00 0.00 SOLV ATOM 19810 OH2 TIP3 4606 -9.895 -2.175 47.130 0.00 0.00 SOLV ATOM 19811 H1 TIP3 4606 -9.373 -2.973 47.196 0.00 0.00 SOLV ATOM 19812 H2 TIP3 4606 -9.248 -1.491 47.047 0.00 0.00 SOLV ATOM 19813 OH2 TIP3 4607 -16.354 5.455 29.890 0.00 0.00 SOLV ATOM 19814 H1 TIP3 4607 -15.468 5.203 29.713 0.00 0.00 SOLV ATOM 19815 H2 TIP3 4607 -16.654 4.637 30.408 0.00 0.00 SOLV ATOM 19816 OH2 TIP3 4608 -11.752 -33.914 9.549 0.00 0.00 SOLV ATOM 19817 H1 TIP3 4608 -12.170 -34.681 9.954 0.00 0.00 SOLV ATOM 19818 H2 TIP3 4608 -11.907 -33.167 10.193 0.00 0.00 SOLV ATOM 19819 OH2 TIP3 4609 -23.258 14.787 -5.516 0.00 0.00 SOLV ATOM 19820 H1 TIP3 4609 -22.327 15.083 -5.724 0.00 0.00 SOLV ATOM 19821 H2 TIP3 4609 -23.143 14.105 -4.937 0.00 0.00 SOLV ATOM 19822 OH2 TIP3 4610 -15.959 3.009 39.135 0.00 0.00 SOLV ATOM 19823 H1 TIP3 4610 -16.926 3.274 39.002 0.00 0.00 SOLV ATOM 19824 H2 TIP3 4610 -15.737 3.263 40.000 0.00 0.00 SOLV ATOM 19825 OH2 TIP3 4611 -8.553 10.286 30.233 0.00 0.00 SOLV ATOM 19826 H1 TIP3 4611 -8.110 10.637 31.009 0.00 0.00 SOLV ATOM 19827 H2 TIP3 4611 -8.745 11.105 29.733 0.00 0.00 SOLV ATOM 19828 OH2 TIP3 4612 0.441 -40.987 12.815 0.00 0.00 SOLV ATOM 19829 H1 TIP3 4612 0.354 -40.349 12.074 0.00 0.00 SOLV ATOM 19830 H2 TIP3 4612 0.280 -41.872 12.413 0.00 0.00 SOLV ATOM 19831 OH2 TIP3 4613 -4.972 13.365 36.861 0.00 0.00 SOLV ATOM 19832 H1 TIP3 4613 -4.827 12.719 36.146 0.00 0.00 SOLV ATOM 19833 H2 TIP3 4613 -4.271 13.167 37.534 0.00 0.00 SOLV ATOM 19834 OH2 TIP3 4614 -5.768 11.571 39.132 0.00 0.00 SOLV ATOM 19835 H1 TIP3 4614 -5.173 10.824 38.910 0.00 0.00 SOLV ATOM 19836 H2 TIP3 4614 -5.803 11.462 40.113 0.00 0.00 SOLV ATOM 19837 OH2 TIP3 4615 -0.679 0.157 41.661 0.00 0.00 SOLV ATOM 19838 H1 TIP3 4615 -1.613 0.473 41.496 0.00 0.00 SOLV ATOM 19839 H2 TIP3 4615 -0.389 -0.030 40.747 0.00 0.00 SOLV ATOM 19840 OH2 TIP3 4616 5.527 -40.917 19.389 0.00 0.00 SOLV ATOM 19841 H1 TIP3 4616 5.251 -41.862 19.218 0.00 0.00 SOLV ATOM 19842 H2 TIP3 4616 4.730 -40.397 19.142 0.00 0.00 SOLV ATOM 19843 OH2 TIP3 4617 -4.488 -41.638 12.778 0.00 0.00 SOLV ATOM 19844 H1 TIP3 4617 -3.844 -41.776 12.008 0.00 0.00 SOLV ATOM 19845 H2 TIP3 4617 -4.336 -42.354 13.383 0.00 0.00 SOLV ATOM 19846 OH2 TIP3 4618 -15.437 14.215 34.177 0.00 0.00 SOLV ATOM 19847 H1 TIP3 4618 -15.797 13.360 34.502 0.00 0.00 SOLV ATOM 19848 H2 TIP3 4618 -14.502 14.022 34.398 0.00 0.00 SOLV ATOM 19849 OH2 TIP3 4619 -5.420 12.730 31.832 0.00 0.00 SOLV ATOM 19850 H1 TIP3 4619 -5.470 13.633 31.996 0.00 0.00 SOLV ATOM 19851 H2 TIP3 4619 -4.480 12.594 31.697 0.00 0.00 SOLV ATOM 19852 OH2 TIP3 4620 -6.713 14.661 34.872 0.00 0.00 SOLV ATOM 19853 H1 TIP3 4620 -7.638 14.567 35.281 0.00 0.00 SOLV ATOM 19854 H2 TIP3 4620 -6.168 14.192 35.462 0.00 0.00 SOLV ATOM 19855 OH2 TIP3 4621 -2.785 12.476 38.279 0.00 0.00 SOLV ATOM 19856 H1 TIP3 4621 -2.170 12.642 39.047 0.00 0.00 SOLV ATOM 19857 H2 TIP3 4621 -3.005 11.491 38.360 0.00 0.00 SOLV ATOM 19858 OH2 TIP3 4622 -1.583 18.370 12.206 0.00 0.00 SOLV ATOM 19859 H1 TIP3 4622 -1.367 17.432 12.362 0.00 0.00 SOLV ATOM 19860 H2 TIP3 4622 -2.569 18.345 12.410 0.00 0.00 SOLV ATOM 19861 OH2 TIP3 4623 -21.792 5.945 29.602 0.00 0.00 SOLV ATOM 19862 H1 TIP3 4623 -21.706 6.664 28.976 0.00 0.00 SOLV ATOM 19863 H2 TIP3 4623 -22.748 5.927 29.778 0.00 0.00 SOLV ATOM 19864 OH2 TIP3 4624 17.732 12.563 29.353 0.00 0.00 SOLV ATOM 19865 H1 TIP3 4624 18.224 13.232 28.855 0.00 0.00 SOLV ATOM 19866 H2 TIP3 4624 18.314 12.268 30.107 0.00 0.00 SOLV ATOM 19867 OH2 TIP3 4625 7.034 -38.583 17.061 0.00 0.00 SOLV ATOM 19868 H1 TIP3 4625 6.117 -38.451 17.445 0.00 0.00 SOLV ATOM 19869 H2 TIP3 4625 7.342 -37.752 16.724 0.00 0.00 SOLV ATOM 19870 OH2 TIP3 4626 -13.105 7.165 26.924 0.00 0.00 SOLV ATOM 19871 H1 TIP3 4626 -13.974 7.559 26.836 0.00 0.00 SOLV ATOM 19872 H2 TIP3 4626 -13.203 6.238 26.538 0.00 0.00 SOLV ATOM 19873 OH2 TIP3 4627 3.356 -39.734 32.418 0.00 0.00 SOLV ATOM 19874 H1 TIP3 4627 2.812 -40.121 31.725 0.00 0.00 SOLV ATOM 19875 H2 TIP3 4627 4.240 -39.750 31.996 0.00 0.00 SOLV ATOM 19876 OH2 TIP3 4628 -5.227 -5.288 36.942 0.00 0.00 SOLV ATOM 19877 H1 TIP3 4628 -4.514 -5.467 36.295 0.00 0.00 SOLV ATOM 19878 H2 TIP3 4628 -5.861 -4.843 36.362 0.00 0.00 SOLV ATOM 19879 OH2 TIP3 4629 -12.329 12.268 28.747 0.00 0.00 SOLV ATOM 19880 H1 TIP3 4629 -11.365 12.338 28.607 0.00 0.00 SOLV ATOM 19881 H2 TIP3 4629 -12.363 11.562 29.450 0.00 0.00 SOLV ATOM 19882 OH2 TIP3 4630 1.181 -1.253 35.211 0.00 0.00 SOLV ATOM 19883 H1 TIP3 4630 0.292 -1.707 35.186 0.00 0.00 SOLV ATOM 19884 H2 TIP3 4630 1.002 -0.314 35.024 0.00 0.00 SOLV ATOM 19885 OH2 TIP3 4631 0.787 13.948 41.830 0.00 0.00 SOLV ATOM 19886 H1 TIP3 4631 0.046 14.603 42.015 0.00 0.00 SOLV ATOM 19887 H2 TIP3 4631 1.428 14.616 41.498 0.00 0.00 SOLV ATOM 19888 OH2 TIP3 4632 9.521 14.821 38.591 0.00 0.00 SOLV ATOM 19889 H1 TIP3 4632 9.852 14.359 37.784 0.00 0.00 SOLV ATOM 19890 H2 TIP3 4632 8.990 14.146 39.037 0.00 0.00 SOLV ATOM 19891 OH2 TIP3 4633 -16.240 3.713 41.718 0.00 0.00 SOLV ATOM 19892 H1 TIP3 4633 -16.761 2.878 41.708 0.00 0.00 SOLV ATOM 19893 H2 TIP3 4633 -16.063 3.904 42.674 0.00 0.00 SOLV ATOM 19894 OH2 TIP3 4634 -6.701 -41.929 9.378 0.00 0.00 SOLV ATOM 19895 H1 TIP3 4634 -7.226 -42.479 9.905 0.00 0.00 SOLV ATOM 19896 H2 TIP3 4634 -7.202 -41.145 9.135 0.00 0.00 SOLV ATOM 19897 OH2 TIP3 4635 -4.326 -39.069 25.656 0.00 0.00 SOLV ATOM 19898 H1 TIP3 4635 -4.862 -39.904 25.614 0.00 0.00 SOLV ATOM 19899 H2 TIP3 4635 -4.646 -38.497 24.902 0.00 0.00 SOLV ATOM 19900 OH2 TIP3 4636 -8.583 -16.660 44.211 0.00 0.00 SOLV ATOM 19901 H1 TIP3 4636 -7.756 -17.171 44.085 0.00 0.00 SOLV ATOM 19902 H2 TIP3 4636 -8.943 -16.627 43.275 0.00 0.00 SOLV ATOM 19903 OH2 TIP3 4637 -8.465 -7.536 42.572 0.00 0.00 SOLV ATOM 19904 H1 TIP3 4637 -7.887 -6.863 43.084 0.00 0.00 SOLV ATOM 19905 H2 TIP3 4637 -7.756 -8.171 42.392 0.00 0.00 SOLV ATOM 19906 OH2 TIP3 4638 -5.575 8.683 42.767 0.00 0.00 SOLV ATOM 19907 H1 TIP3 4638 -5.811 9.561 42.386 0.00 0.00 SOLV ATOM 19908 H2 TIP3 4638 -5.988 8.147 42.075 0.00 0.00 SOLV ATOM 19909 OH2 TIP3 4639 14.918 8.993 -6.530 0.00 0.00 SOLV ATOM 19910 H1 TIP3 4639 13.985 8.771 -6.712 0.00 0.00 SOLV ATOM 19911 H2 TIP3 4639 15.244 8.129 -6.098 0.00 0.00 SOLV ATOM 19912 OH2 TIP3 4640 13.776 1.067 30.006 0.00 0.00 SOLV ATOM 19913 H1 TIP3 4640 14.490 1.735 30.054 0.00 0.00 SOLV ATOM 19914 H2 TIP3 4640 13.742 0.841 29.051 0.00 0.00 SOLV ATOM 19915 OH2 TIP3 4641 12.049 2.467 -2.969 0.00 0.00 SOLV ATOM 19916 H1 TIP3 4641 11.701 3.328 -3.176 0.00 0.00 SOLV ATOM 19917 H2 TIP3 4641 12.667 2.317 -3.705 0.00 0.00 SOLV ATOM 19918 OH2 TIP3 4642 12.293 0.826 12.351 0.00 0.00 SOLV ATOM 19919 H1 TIP3 4642 12.854 1.168 13.023 0.00 0.00 SOLV ATOM 19920 H2 TIP3 4642 12.747 0.077 12.019 0.00 0.00 SOLV ATOM 19921 OH2 TIP3 4643 -20.394 -35.048 22.031 0.00 0.00 SOLV ATOM 19922 H1 TIP3 4643 -20.427 -35.455 22.920 0.00 0.00 SOLV ATOM 19923 H2 TIP3 4643 -20.036 -35.827 21.462 0.00 0.00 SOLV ATOM 19924 OH2 TIP3 4644 -23.649 2.870 33.375 0.00 0.00 SOLV ATOM 19925 H1 TIP3 4644 -24.538 2.815 32.935 0.00 0.00 SOLV ATOM 19926 H2 TIP3 4644 -23.105 2.330 32.750 0.00 0.00 SOLV ATOM 19927 OH2 TIP3 4645 -8.602 -37.093 34.993 0.00 0.00 SOLV ATOM 19928 H1 TIP3 4645 -8.946 -37.864 35.538 0.00 0.00 SOLV ATOM 19929 H2 TIP3 4645 -9.404 -36.736 34.715 0.00 0.00 SOLV ATOM 19930 OH2 TIP3 4646 -1.662 15.467 42.139 0.00 0.00 SOLV ATOM 19931 H1 TIP3 4646 -2.071 15.390 41.253 0.00 0.00 SOLV ATOM 19932 H2 TIP3 4646 -1.981 16.263 42.521 0.00 0.00 SOLV ATOM 19933 OH2 TIP3 4647 5.724 8.126 36.812 0.00 0.00 SOLV ATOM 19934 H1 TIP3 4647 5.250 8.898 37.202 0.00 0.00 SOLV ATOM 19935 H2 TIP3 4647 6.249 8.550 36.082 0.00 0.00 SOLV ATOM 19936 OH2 TIP3 4648 -18.053 -10.131 23.073 0.00 0.00 SOLV ATOM 19937 H1 TIP3 4648 -18.569 -9.447 23.554 0.00 0.00 SOLV ATOM 19938 H2 TIP3 4648 -18.766 -10.579 22.597 0.00 0.00 SOLV ATOM 19939 OH2 TIP3 4649 -11.068 -32.197 11.498 0.00 0.00 SOLV ATOM 19940 H1 TIP3 4649 -11.316 -32.208 12.396 0.00 0.00 SOLV ATOM 19941 H2 TIP3 4649 -11.683 -31.476 11.153 0.00 0.00 SOLV ATOM 19942 OH2 TIP3 4650 -6.704 -40.536 17.631 0.00 0.00 SOLV ATOM 19943 H1 TIP3 4650 -7.440 -40.925 17.073 0.00 0.00 SOLV ATOM 19944 H2 TIP3 4650 -6.734 -41.091 18.454 0.00 0.00 SOLV ATOM 19945 OH2 TIP3 4651 -14.698 12.133 37.864 0.00 0.00 SOLV ATOM 19946 H1 TIP3 4651 -14.129 11.384 37.690 0.00 0.00 SOLV ATOM 19947 H2 TIP3 4651 -14.230 12.875 37.447 0.00 0.00 SOLV ATOM 19948 OH2 TIP3 4652 -5.452 15.255 32.384 0.00 0.00 SOLV ATOM 19949 H1 TIP3 4652 -6.170 14.870 32.950 0.00 0.00 SOLV ATOM 19950 H2 TIP3 4652 -5.845 15.998 32.020 0.00 0.00 SOLV ATOM 19951 OH2 TIP3 4653 10.062 -21.830 40.157 0.00 0.00 SOLV ATOM 19952 H1 TIP3 4653 9.326 -21.161 39.895 0.00 0.00 SOLV ATOM 19953 H2 TIP3 4653 9.564 -22.589 40.497 0.00 0.00 SOLV ATOM 19954 OH2 TIP3 4654 -6.900 -40.342 34.801 0.00 0.00 SOLV ATOM 19955 H1 TIP3 4654 -6.585 -39.569 34.340 0.00 0.00 SOLV ATOM 19956 H2 TIP3 4654 -7.606 -40.030 35.398 0.00 0.00 SOLV ATOM 19957 OH2 TIP3 4655 -6.398 -28.703 45.267 0.00 0.00 SOLV ATOM 19958 H1 TIP3 4655 -6.960 -29.269 44.709 0.00 0.00 SOLV ATOM 19959 H2 TIP3 4655 -5.781 -29.394 45.688 0.00 0.00 SOLV ATOM 19960 OH2 TIP3 4656 -9.441 -32.162 49.029 0.00 0.00 SOLV ATOM 19961 H1 TIP3 4656 -9.305 -31.599 49.776 0.00 0.00 SOLV ATOM 19962 H2 TIP3 4656 -9.634 -33.023 49.453 0.00 0.00 SOLV ATOM 19963 OH2 TIP3 4657 1.834 -34.138 9.627 0.00 0.00 SOLV ATOM 19964 H1 TIP3 4657 1.239 -34.034 10.413 0.00 0.00 SOLV ATOM 19965 H2 TIP3 4657 2.120 -35.040 9.774 0.00 0.00 SOLV ATOM 19966 OH2 TIP3 4658 2.935 -40.115 18.259 0.00 0.00 SOLV ATOM 19967 H1 TIP3 4658 2.376 -39.337 18.010 0.00 0.00 SOLV ATOM 19968 H2 TIP3 4658 3.234 -40.483 17.470 0.00 0.00 SOLV ATOM 19969 OH2 TIP3 4659 -15.281 -35.172 17.151 0.00 0.00 SOLV ATOM 19970 H1 TIP3 4659 -15.969 -34.513 17.196 0.00 0.00 SOLV ATOM 19971 H2 TIP3 4659 -14.853 -35.090 18.014 0.00 0.00 SOLV ATOM 19972 OH2 TIP3 4660 7.395 -36.949 23.219 0.00 0.00 SOLV ATOM 19973 H1 TIP3 4660 7.369 -37.054 22.295 0.00 0.00 SOLV ATOM 19974 H2 TIP3 4660 7.145 -35.970 23.336 0.00 0.00 SOLV ATOM 19975 OH2 TIP3 4661 12.287 -15.181 20.516 0.00 0.00 SOLV ATOM 19976 H1 TIP3 4661 12.883 -15.581 21.153 0.00 0.00 SOLV ATOM 19977 H2 TIP3 4661 12.490 -15.680 19.762 0.00 0.00 SOLV ATOM 19978 OH2 TIP3 4662 -12.401 -20.100 11.801 0.00 0.00 SOLV ATOM 19979 H1 TIP3 4662 -12.559 -19.562 10.993 0.00 0.00 SOLV ATOM 19980 H2 TIP3 4662 -11.432 -19.837 12.023 0.00 0.00 SOLV ATOM 19981 OH2 TIP3 4663 -0.886 -41.619 24.235 0.00 0.00 SOLV ATOM 19982 H1 TIP3 4663 -1.801 -41.710 24.635 0.00 0.00 SOLV ATOM 19983 H2 TIP3 4663 -0.447 -42.500 24.365 0.00 0.00 SOLV ATOM 19984 OH2 TIP3 4664 -2.387 -1.121 9.019 0.00 0.00 SOLV ATOM 19985 H1 TIP3 4664 -3.136 -1.676 8.692 0.00 0.00 SOLV ATOM 19986 H2 TIP3 4664 -1.613 -1.713 8.992 0.00 0.00 SOLV ATOM 19987 OH2 TIP3 4665 -5.425 -40.671 23.359 0.00 0.00 SOLV ATOM 19988 H1 TIP3 4665 -6.012 -41.150 22.789 0.00 0.00 SOLV ATOM 19989 H2 TIP3 4665 -5.664 -39.762 23.283 0.00 0.00 SOLV ATOM 19990 OH2 TIP3 4666 -13.697 -26.927 30.336 0.00 0.00 SOLV ATOM 19991 H1 TIP3 4666 -13.969 -27.102 31.266 0.00 0.00 SOLV ATOM 19992 H2 TIP3 4666 -12.941 -27.507 30.199 0.00 0.00 SOLV ATOM 19993 OH2 TIP3 4667 3.681 14.505 38.557 0.00 0.00 SOLV ATOM 19994 H1 TIP3 4667 4.215 14.281 39.371 0.00 0.00 SOLV ATOM 19995 H2 TIP3 4667 4.204 14.236 37.743 0.00 0.00 SOLV ATOM 19996 OH2 TIP3 4668 2.612 15.930 41.576 0.00 0.00 SOLV ATOM 19997 H1 TIP3 4668 3.369 15.337 41.469 0.00 0.00 SOLV ATOM 19998 H2 TIP3 4668 2.983 16.827 41.397 0.00 0.00 SOLV ATOM 19999 OH2 TIP3 4669 0.629 -26.919 48.465 0.00 0.00 SOLV ATOM 20000 H1 TIP3 4669 1.244 -27.063 49.228 0.00 0.00 SOLV ATOM 20001 H2 TIP3 4669 1.032 -26.232 47.898 0.00 0.00 SOLV ATOM 20002 OH2 TIP3 4670 7.628 -34.486 40.370 0.00 0.00 SOLV ATOM 20003 H1 TIP3 4670 6.740 -34.148 40.105 0.00 0.00 SOLV ATOM 20004 H2 TIP3 4670 7.388 -35.325 40.786 0.00 0.00 SOLV ATOM 20005 OH2 TIP3 4671 10.906 -18.623 11.887 0.00 0.00 SOLV ATOM 20006 H1 TIP3 4671 11.328 -19.381 12.304 0.00 0.00 SOLV ATOM 20007 H2 TIP3 4671 11.192 -17.822 12.440 0.00 0.00 SOLV ATOM 20008 OH2 TIP3 4672 -7.815 -38.125 12.914 0.00 0.00 SOLV ATOM 20009 H1 TIP3 4672 -8.432 -37.575 13.455 0.00 0.00 SOLV ATOM 20010 H2 TIP3 4672 -8.462 -38.411 12.192 0.00 0.00 SOLV ATOM 20011 OH2 TIP3 4673 2.465 -15.234 41.499 0.00 0.00 SOLV ATOM 20012 H1 TIP3 4673 1.850 -15.946 41.540 0.00 0.00 SOLV ATOM 20013 H2 TIP3 4673 3.365 -15.625 41.564 0.00 0.00 SOLV ATOM 20014 OH2 TIP3 4674 14.242 -11.012 29.089 0.00 0.00 SOLV ATOM 20015 H1 TIP3 4674 13.297 -10.821 29.232 0.00 0.00 SOLV ATOM 20016 H2 TIP3 4674 14.716 -10.166 29.202 0.00 0.00 SOLV ATOM 20017 OH2 TIP3 4675 7.864 -30.239 22.847 0.00 0.00 SOLV ATOM 20018 H1 TIP3 4675 8.183 -29.890 23.694 0.00 0.00 SOLV ATOM 20019 H2 TIP3 4675 8.593 -30.825 22.633 0.00 0.00 SOLV ATOM 20020 OH2 TIP3 4676 -12.633 -40.027 33.606 0.00 0.00 SOLV ATOM 20021 H1 TIP3 4676 -12.282 -39.131 33.517 0.00 0.00 SOLV ATOM 20022 H2 TIP3 4676 -12.438 -40.490 32.765 0.00 0.00 SOLV ATOM 20023 OH2 TIP3 4677 -15.627 -25.600 36.069 0.00 0.00 SOLV ATOM 20024 H1 TIP3 4677 -16.146 -24.977 35.469 0.00 0.00 SOLV ATOM 20025 H2 TIP3 4677 -14.836 -25.839 35.427 0.00 0.00 SOLV ATOM 20026 OH2 TIP3 4678 -2.098 15.727 33.401 0.00 0.00 SOLV ATOM 20027 H1 TIP3 4678 -3.015 15.698 33.471 0.00 0.00 SOLV ATOM 20028 H2 TIP3 4678 -1.772 15.408 34.247 0.00 0.00 SOLV ATOM 20029 OH2 TIP3 4679 -3.548 23.015 1.035 0.00 0.00 SOLV ATOM 20030 H1 TIP3 4679 -3.082 23.212 0.272 0.00 0.00 SOLV ATOM 20031 H2 TIP3 4679 -4.055 23.784 1.130 0.00 0.00 SOLV ATOM 20032 OH2 TIP3 4680 15.919 -13.327 29.108 0.00 0.00 SOLV ATOM 20033 H1 TIP3 4680 15.336 -14.052 29.416 0.00 0.00 SOLV ATOM 20034 H2 TIP3 4680 15.469 -12.525 29.462 0.00 0.00 SOLV ATOM 20035 OH2 TIP3 4681 16.329 -17.063 29.581 0.00 0.00 SOLV ATOM 20036 H1 TIP3 4681 15.635 -16.396 29.826 0.00 0.00 SOLV ATOM 20037 H2 TIP3 4681 16.149 -17.203 28.678 0.00 0.00 SOLV ATOM 20038 OH2 TIP3 4682 -8.248 -21.746 7.351 0.00 0.00 SOLV ATOM 20039 H1 TIP3 4682 -9.018 -21.212 7.705 0.00 0.00 SOLV ATOM 20040 H2 TIP3 4682 -8.421 -22.633 7.678 0.00 0.00 SOLV ATOM 20041 OH2 TIP3 4683 -22.731 -12.833 29.585 0.00 0.00 SOLV ATOM 20042 H1 TIP3 4683 -22.162 -12.310 28.961 0.00 0.00 SOLV ATOM 20043 H2 TIP3 4683 -22.105 -13.273 30.165 0.00 0.00 SOLV ATOM 20044 OH2 TIP3 4684 -7.910 -27.115 31.054 0.00 0.00 SOLV ATOM 20045 H1 TIP3 4684 -7.240 -27.012 30.323 0.00 0.00 SOLV ATOM 20046 H2 TIP3 4684 -7.931 -28.146 31.121 0.00 0.00 SOLV ATOM 20047 OH2 TIP3 4685 0.718 -36.336 37.769 0.00 0.00 SOLV ATOM 20048 H1 TIP3 4685 0.131 -37.015 37.474 0.00 0.00 SOLV ATOM 20049 H2 TIP3 4685 1.450 -36.793 38.229 0.00 0.00 SOLV ATOM 20050 OH2 TIP3 4686 -6.510 -37.946 20.371 0.00 0.00 SOLV ATOM 20051 H1 TIP3 4686 -5.593 -38.328 20.578 0.00 0.00 SOLV ATOM 20052 H2 TIP3 4686 -7.134 -38.233 21.037 0.00 0.00 SOLV ATOM 20053 OH2 TIP3 4687 4.664 -30.460 29.354 0.00 0.00 SOLV ATOM 20054 H1 TIP3 4687 4.096 -29.908 29.932 0.00 0.00 SOLV ATOM 20055 H2 TIP3 4687 5.521 -30.284 29.701 0.00 0.00 SOLV ATOM 20056 OH2 TIP3 4688 -6.538 -33.027 41.870 0.00 0.00 SOLV ATOM 20057 H1 TIP3 4688 -5.852 -32.401 41.953 0.00 0.00 SOLV ATOM 20058 H2 TIP3 4688 -6.520 -33.395 42.743 0.00 0.00 SOLV ATOM 20059 OH2 TIP3 4689 2.007 -41.022 30.499 0.00 0.00 SOLV ATOM 20060 H1 TIP3 4689 1.129 -41.535 30.610 0.00 0.00 SOLV ATOM 20061 H2 TIP3 4689 2.416 -41.521 29.776 0.00 0.00 SOLV ATOM 20062 OH2 TIP3 4690 -0.328 -30.223 8.338 0.00 0.00 SOLV ATOM 20063 H1 TIP3 4690 -0.696 -30.204 7.475 0.00 0.00 SOLV ATOM 20064 H2 TIP3 4690 -0.331 -29.325 8.678 0.00 0.00 SOLV ATOM 20065 OH2 TIP3 4691 -20.471 -20.424 15.891 0.00 0.00 SOLV ATOM 20066 H1 TIP3 4691 -20.181 -19.474 15.781 0.00 0.00 SOLV ATOM 20067 H2 TIP3 4691 -19.655 -20.916 15.659 0.00 0.00 SOLV ATOM 20068 OH2 TIP3 4692 7.338 -35.789 16.823 0.00 0.00 SOLV ATOM 20069 H1 TIP3 4692 7.029 -34.871 16.825 0.00 0.00 SOLV ATOM 20070 H2 TIP3 4692 6.643 -36.156 17.376 0.00 0.00 SOLV ATOM 20071 OH2 TIP3 4693 -9.191 -38.600 23.628 0.00 0.00 SOLV ATOM 20072 H1 TIP3 4693 -10.034 -38.506 23.193 0.00 0.00 SOLV ATOM 20073 H2 TIP3 4693 -9.536 -38.902 24.524 0.00 0.00 SOLV ATOM 20074 OH2 TIP3 4694 -3.373 -36.794 17.485 0.00 0.00 SOLV ATOM 20075 H1 TIP3 4694 -3.267 -36.739 16.518 0.00 0.00 SOLV ATOM 20076 H2 TIP3 4694 -4.319 -37.026 17.547 0.00 0.00 SOLV ATOM 20077 OH2 TIP3 4695 16.048 -32.371 37.022 0.00 0.00 SOLV ATOM 20078 H1 TIP3 4695 15.830 -31.594 36.612 0.00 0.00 SOLV ATOM 20079 H2 TIP3 4695 15.712 -32.255 37.920 0.00 0.00 SOLV ATOM 20080 OH2 TIP3 4696 -2.607 -22.414 40.789 0.00 0.00 SOLV ATOM 20081 H1 TIP3 4696 -3.524 -22.509 40.516 0.00 0.00 SOLV ATOM 20082 H2 TIP3 4696 -2.113 -22.602 39.916 0.00 0.00 SOLV ATOM 20083 OH2 TIP3 4697 9.078 -26.952 47.679 0.00 0.00 SOLV ATOM 20084 H1 TIP3 4697 8.314 -27.341 48.160 0.00 0.00 SOLV ATOM 20085 H2 TIP3 4697 9.087 -27.488 46.938 0.00 0.00 SOLV ATOM 20086 OH2 TIP3 4698 15.762 -18.123 39.712 0.00 0.00 SOLV ATOM 20087 H1 TIP3 4698 16.192 -17.342 40.103 0.00 0.00 SOLV ATOM 20088 H2 TIP3 4698 16.495 -18.833 39.693 0.00 0.00 SOLV ATOM 20089 OH2 TIP3 4699 0.652 -27.579 44.701 0.00 0.00 SOLV ATOM 20090 H1 TIP3 4699 0.307 -28.371 45.186 0.00 0.00 SOLV ATOM 20091 H2 TIP3 4699 -0.177 -26.985 44.743 0.00 0.00 SOLV ATOM 20092 OH2 TIP3 4700 2.998 -26.050 44.227 0.00 0.00 SOLV ATOM 20093 H1 TIP3 4700 2.331 -26.665 44.268 0.00 0.00 SOLV ATOM 20094 H2 TIP3 4700 3.719 -26.624 43.917 0.00 0.00 SOLV ATOM 20095 OH2 TIP3 4701 -7.871 -22.892 52.942 0.00 0.00 SOLV ATOM 20096 H1 TIP3 4701 -7.702 -23.848 53.030 0.00 0.00 SOLV ATOM 20097 H2 TIP3 4701 -8.611 -22.886 52.316 0.00 0.00 SOLV ATOM 20098 OH2 TIP3 4702 -6.188 -37.573 40.918 0.00 0.00 SOLV ATOM 20099 H1 TIP3 4702 -5.448 -37.093 40.570 0.00 0.00 SOLV ATOM 20100 H2 TIP3 4702 -6.049 -37.465 41.875 0.00 0.00 SOLV ATOM 20101 OH2 TIP3 4703 -15.978 -28.213 39.170 0.00 0.00 SOLV ATOM 20102 H1 TIP3 4703 -15.448 -28.793 38.530 0.00 0.00 SOLV ATOM 20103 H2 TIP3 4703 -15.257 -27.654 39.537 0.00 0.00 SOLV ATOM 20104 OH2 TIP3 4704 -0.584 -23.162 53.832 0.00 0.00 SOLV ATOM 20105 H1 TIP3 4704 0.036 -22.370 53.876 0.00 0.00 SOLV ATOM 20106 H2 TIP3 4704 -0.643 -23.301 52.820 0.00 0.00 SOLV ATOM 20107 OH2 TIP3 4705 4.805 -29.521 11.955 0.00 0.00 SOLV ATOM 20108 H1 TIP3 4705 4.581 -30.448 11.781 0.00 0.00 SOLV ATOM 20109 H2 TIP3 4705 4.065 -29.069 11.497 0.00 0.00 SOLV ATOM 20110 OH2 TIP3 4706 -6.539 -26.271 12.279 0.00 0.00 SOLV ATOM 20111 H1 TIP3 4706 -6.870 -26.877 12.925 0.00 0.00 SOLV ATOM 20112 H2 TIP3 4706 -6.694 -25.478 12.740 0.00 0.00 SOLV ATOM 20113 OH2 TIP3 4707 -1.260 -0.495 -0.103 0.00 0.00 SOLV ATOM 20114 H1 TIP3 4707 -1.803 -0.374 0.735 0.00 0.00 SOLV ATOM 20115 H2 TIP3 4707 -0.360 -0.110 0.144 0.00 0.00 SOLV ATOM 20116 OH2 TIP3 4708 18.226 -23.772 24.451 0.00 0.00 SOLV ATOM 20117 H1 TIP3 4708 19.087 -23.834 24.826 0.00 0.00 SOLV ATOM 20118 H2 TIP3 4708 18.056 -24.699 24.163 0.00 0.00 SOLV ATOM 20119 OH2 TIP3 4709 14.788 -18.790 31.423 0.00 0.00 SOLV ATOM 20120 H1 TIP3 4709 13.848 -18.604 31.552 0.00 0.00 SOLV ATOM 20121 H2 TIP3 4709 15.107 -17.957 30.982 0.00 0.00 SOLV ATOM 20122 OH2 TIP3 4710 9.677 -30.818 41.510 0.00 0.00 SOLV ATOM 20123 H1 TIP3 4710 10.520 -31.061 41.896 0.00 0.00 SOLV ATOM 20124 H2 TIP3 4710 9.185 -31.621 41.591 0.00 0.00 SOLV ATOM 20125 OH2 TIP3 4711 -1.789 -10.209 -1.018 0.00 0.00 SOLV ATOM 20126 H1 TIP3 4711 -1.065 -9.590 -0.916 0.00 0.00 SOLV ATOM 20127 H2 TIP3 4711 -1.479 -11.095 -0.894 0.00 0.00 SOLV ATOM 20128 OH2 TIP3 4712 8.734 -24.175 47.099 0.00 0.00 SOLV ATOM 20129 H1 TIP3 4712 8.015 -24.252 46.452 0.00 0.00 SOLV ATOM 20130 H2 TIP3 4712 9.111 -25.079 47.106 0.00 0.00 SOLV ATOM 20131 OH2 TIP3 4713 -19.228 -28.279 40.715 0.00 0.00 SOLV ATOM 20132 H1 TIP3 4713 -20.143 -28.128 40.712 0.00 0.00 SOLV ATOM 20133 H2 TIP3 4713 -18.889 -27.437 40.322 0.00 0.00 SOLV ATOM 20134 OH2 TIP3 4714 -10.673 -32.438 40.193 0.00 0.00 SOLV ATOM 20135 H1 TIP3 4714 -9.759 -32.441 40.000 0.00 0.00 SOLV ATOM 20136 H2 TIP3 4714 -10.845 -31.456 40.281 0.00 0.00 SOLV ATOM 20137 OH2 TIP3 4715 11.267 -31.280 12.899 0.00 0.00 SOLV ATOM 20138 H1 TIP3 4715 12.139 -31.411 13.178 0.00 0.00 SOLV ATOM 20139 H2 TIP3 4715 11.240 -30.306 12.677 0.00 0.00 SOLV ATOM 20140 OH2 TIP3 4716 12.891 -14.159 9.414 0.00 0.00 SOLV ATOM 20141 H1 TIP3 4716 13.322 -14.888 9.961 0.00 0.00 SOLV ATOM 20142 H2 TIP3 4716 12.527 -14.664 8.694 0.00 0.00 SOLV ATOM 20143 OH2 TIP3 4717 -2.724 -23.561 10.969 0.00 0.00 SOLV ATOM 20144 H1 TIP3 4717 -1.917 -23.885 10.606 0.00 0.00 SOLV ATOM 20145 H2 TIP3 4717 -2.606 -22.646 10.862 0.00 0.00 SOLV ATOM 20146 OH2 TIP3 4718 -7.919 -23.844 46.666 0.00 0.00 SOLV ATOM 20147 H1 TIP3 4718 -7.833 -24.846 46.516 0.00 0.00 SOLV ATOM 20148 H2 TIP3 4718 -7.121 -23.616 47.187 0.00 0.00 SOLV ATOM 20149 OH2 TIP3 4719 3.024 -24.340 36.929 0.00 0.00 SOLV ATOM 20150 H1 TIP3 4719 2.353 -24.914 37.251 0.00 0.00 SOLV ATOM 20151 H2 TIP3 4719 2.858 -23.568 37.438 0.00 0.00 SOLV ATOM 20152 OH2 TIP3 4720 -7.687 -33.064 18.537 0.00 0.00 SOLV ATOM 20153 H1 TIP3 4720 -7.956 -33.795 17.963 0.00 0.00 SOLV ATOM 20154 H2 TIP3 4720 -7.300 -32.464 17.884 0.00 0.00 SOLV ATOM 20155 OH2 TIP3 4721 8.164 -25.747 39.521 0.00 0.00 SOLV ATOM 20156 H1 TIP3 4721 8.181 -24.993 40.091 0.00 0.00 SOLV ATOM 20157 H2 TIP3 4721 7.298 -25.687 39.111 0.00 0.00 SOLV ATOM 20158 OH2 TIP3 4722 3.604 -30.818 37.389 0.00 0.00 SOLV ATOM 20159 H1 TIP3 4722 4.540 -31.122 37.547 0.00 0.00 SOLV ATOM 20160 H2 TIP3 4722 3.094 -31.618 37.480 0.00 0.00 SOLV ATOM 20161 OH2 TIP3 4723 -4.823 -24.664 51.446 0.00 0.00 SOLV ATOM 20162 H1 TIP3 4723 -5.624 -24.738 50.908 0.00 0.00 SOLV ATOM 20163 H2 TIP3 4723 -4.729 -25.611 51.656 0.00 0.00 SOLV ATOM 20164 OH2 TIP3 4724 -2.204 -15.187 50.558 0.00 0.00 SOLV ATOM 20165 H1 TIP3 4724 -3.086 -15.124 50.851 0.00 0.00 SOLV ATOM 20166 H2 TIP3 4724 -1.973 -16.120 50.807 0.00 0.00 SOLV ATOM 20167 OH2 TIP3 4725 1.328 -3.550 42.318 0.00 0.00 SOLV ATOM 20168 H1 TIP3 4725 1.881 -2.774 42.448 0.00 0.00 SOLV ATOM 20169 H2 TIP3 4725 1.582 -4.147 43.025 0.00 0.00 SOLV ATOM 20170 OH2 TIP3 4726 -6.631 -36.349 46.283 0.00 0.00 SOLV ATOM 20171 H1 TIP3 4726 -7.575 -36.553 46.167 0.00 0.00 SOLV ATOM 20172 H2 TIP3 4726 -6.557 -36.447 47.233 0.00 0.00 SOLV ATOM 20173 OH2 TIP3 4727 15.797 -7.902 40.262 0.00 0.00 SOLV ATOM 20174 H1 TIP3 4727 15.764 -7.684 39.340 0.00 0.00 SOLV ATOM 20175 H2 TIP3 4727 14.955 -7.627 40.628 0.00 0.00 SOLV ATOM 20176 OH2 TIP3 4728 5.068 -21.083 44.750 0.00 0.00 SOLV ATOM 20177 H1 TIP3 4728 4.509 -20.521 44.193 0.00 0.00 SOLV ATOM 20178 H2 TIP3 4728 4.880 -22.003 44.486 0.00 0.00 SOLV ATOM 20179 OH2 TIP3 4729 -3.762 -20.422 55.401 0.00 0.00 SOLV ATOM 20180 H1 TIP3 4729 -4.664 -20.244 55.126 0.00 0.00 SOLV ATOM 20181 H2 TIP3 4729 -3.904 -21.084 56.083 0.00 0.00 SOLV ATOM 20182 OH2 TIP3 4730 1.468 -19.063 48.671 0.00 0.00 SOLV ATOM 20183 H1 TIP3 4730 0.868 -18.848 47.969 0.00 0.00 SOLV ATOM 20184 H2 TIP3 4730 0.853 -19.307 49.407 0.00 0.00 SOLV ATOM 20185 OH2 TIP3 4731 4.699 -19.913 10.602 0.00 0.00 SOLV ATOM 20186 H1 TIP3 4731 5.621 -20.157 10.383 0.00 0.00 SOLV ATOM 20187 H2 TIP3 4731 4.374 -20.506 11.246 0.00 0.00 SOLV ATOM 20188 OH2 TIP3 4732 -16.929 -19.735 42.157 0.00 0.00 SOLV ATOM 20189 H1 TIP3 4732 -16.269 -20.140 42.780 0.00 0.00 SOLV ATOM 20190 H2 TIP3 4732 -17.749 -19.972 42.576 0.00 0.00 SOLV ATOM 20191 OH2 TIP3 4733 -12.784 -11.720 34.339 0.00 0.00 SOLV ATOM 20192 H1 TIP3 4733 -12.905 -11.231 33.531 0.00 0.00 SOLV ATOM 20193 H2 TIP3 4733 -12.497 -12.621 34.017 0.00 0.00 SOLV ATOM 20194 OH2 TIP3 4734 4.088 -15.398 53.283 0.00 0.00 SOLV ATOM 20195 H1 TIP3 4734 4.652 -14.882 53.886 0.00 0.00 SOLV ATOM 20196 H2 TIP3 4734 4.750 -15.665 52.580 0.00 0.00 SOLV ATOM 20197 OH2 TIP3 4735 -2.501 -6.522 53.237 0.00 0.00 SOLV ATOM 20198 H1 TIP3 4735 -1.885 -7.114 53.609 0.00 0.00 SOLV ATOM 20199 H2 TIP3 4735 -1.985 -5.664 53.244 0.00 0.00 SOLV ATOM 20200 OH2 TIP3 4736 9.353 2.194 46.924 0.00 0.00 SOLV ATOM 20201 H1 TIP3 4736 8.586 1.615 46.984 0.00 0.00 SOLV ATOM 20202 H2 TIP3 4736 9.905 1.969 47.685 0.00 0.00 SOLV ATOM 20203 OH2 TIP3 4737 -10.424 3.030 23.934 0.00 0.00 SOLV ATOM 20204 H1 TIP3 4737 -10.155 3.726 24.512 0.00 0.00 SOLV ATOM 20205 H2 TIP3 4737 -11.360 2.857 24.203 0.00 0.00 SOLV ATOM 20206 OH2 TIP3 4738 -24.972 -2.403 29.822 0.00 0.00 SOLV ATOM 20207 H1 TIP3 4738 -24.912 -1.422 29.749 0.00 0.00 SOLV ATOM 20208 H2 TIP3 4738 -24.035 -2.745 29.882 0.00 0.00 SOLV ATOM 20209 OH2 TIP3 4739 5.071 -12.642 48.936 0.00 0.00 SOLV ATOM 20210 H1 TIP3 4739 4.526 -13.290 48.488 0.00 0.00 SOLV ATOM 20211 H2 TIP3 4739 4.498 -12.292 49.564 0.00 0.00 SOLV ATOM 20212 OH2 TIP3 4740 -11.974 -25.188 43.786 0.00 0.00 SOLV ATOM 20213 H1 TIP3 4740 -11.992 -25.552 44.714 0.00 0.00 SOLV ATOM 20214 H2 TIP3 4740 -12.758 -24.554 43.727 0.00 0.00 SOLV ATOM 20215 OH2 TIP3 4741 13.541 -4.440 8.992 0.00 0.00 SOLV ATOM 20216 H1 TIP3 4741 13.767 -4.387 8.081 0.00 0.00 SOLV ATOM 20217 H2 TIP3 4741 12.914 -3.697 9.068 0.00 0.00 SOLV ATOM 20218 OH2 TIP3 4742 3.852 -2.996 36.816 0.00 0.00 SOLV ATOM 20219 H1 TIP3 4742 3.549 -3.730 37.363 0.00 0.00 SOLV ATOM 20220 H2 TIP3 4742 3.364 -2.243 37.266 0.00 0.00 SOLV ATOM 20221 OH2 TIP3 4743 4.220 7.000 16.235 0.00 0.00 SOLV ATOM 20222 H1 TIP3 4743 4.316 6.154 16.755 0.00 0.00 SOLV ATOM 20223 H2 TIP3 4743 5.132 7.080 15.796 0.00 0.00 SOLV ATOM 20224 OH2 TIP3 4744 12.438 -12.727 42.671 0.00 0.00 SOLV ATOM 20225 H1 TIP3 4744 11.970 -13.151 43.419 0.00 0.00 SOLV ATOM 20226 H2 TIP3 4744 12.881 -11.969 43.031 0.00 0.00 SOLV ATOM 20227 OH2 TIP3 4745 12.506 -7.555 18.757 0.00 0.00 SOLV ATOM 20228 H1 TIP3 4745 11.597 -7.807 18.661 0.00 0.00 SOLV ATOM 20229 H2 TIP3 4745 12.978 -8.412 18.764 0.00 0.00 SOLV ATOM 20230 OH2 TIP3 4746 -4.175 16.435 10.405 0.00 0.00 SOLV ATOM 20231 H1 TIP3 4746 -3.505 16.644 9.763 0.00 0.00 SOLV ATOM 20232 H2 TIP3 4746 -3.827 15.542 10.734 0.00 0.00 SOLV ATOM 20233 OH2 TIP3 4747 15.282 17.782 20.726 0.00 0.00 SOLV ATOM 20234 H1 TIP3 4747 14.788 17.096 20.189 0.00 0.00 SOLV ATOM 20235 H2 TIP3 4747 14.600 18.133 21.296 0.00 0.00 SOLV ATOM 20236 OH2 TIP3 4748 3.513 -17.410 10.618 0.00 0.00 SOLV ATOM 20237 H1 TIP3 4748 3.741 -18.353 10.480 0.00 0.00 SOLV ATOM 20238 H2 TIP3 4748 4.409 -17.063 10.795 0.00 0.00 SOLV ATOM 20239 OH2 TIP3 4749 -17.174 3.560 45.363 0.00 0.00 SOLV ATOM 20240 H1 TIP3 4749 -17.758 3.812 44.657 0.00 0.00 SOLV ATOM 20241 H2 TIP3 4749 -17.461 4.151 46.089 0.00 0.00 SOLV ATOM 20242 OH2 TIP3 4750 -10.166 -7.937 51.989 0.00 0.00 SOLV ATOM 20243 H1 TIP3 4750 -9.606 -7.135 51.865 0.00 0.00 SOLV ATOM 20244 H2 TIP3 4750 -9.707 -8.415 52.759 0.00 0.00 SOLV ATOM 20245 OH2 TIP3 4751 -3.380 -0.910 47.241 0.00 0.00 SOLV ATOM 20246 H1 TIP3 4751 -3.164 -0.019 47.028 0.00 0.00 SOLV ATOM 20247 H2 TIP3 4751 -3.480 -0.848 48.174 0.00 0.00 SOLV ATOM 20248 OH2 TIP3 4752 -15.769 -7.503 -10.414 0.00 0.00 SOLV ATOM 20249 H1 TIP3 4752 -16.010 -8.214 -10.963 0.00 0.00 SOLV ATOM 20250 H2 TIP3 4752 -15.555 -7.861 -9.567 0.00 0.00 SOLV ATOM 20251 OH2 TIP3 4753 -3.806 10.059 22.070 0.00 0.00 SOLV ATOM 20252 H1 TIP3 4753 -2.989 10.364 22.555 0.00 0.00 SOLV ATOM 20253 H2 TIP3 4753 -4.495 10.182 22.786 0.00 0.00 SOLV ATOM 20254 OH2 TIP3 4754 -19.518 -4.398 29.544 0.00 0.00 SOLV ATOM 20255 H1 TIP3 4754 -19.307 -5.315 29.280 0.00 0.00 SOLV ATOM 20256 H2 TIP3 4754 -18.714 -4.109 30.015 0.00 0.00 SOLV ATOM 20257 OH2 TIP3 4755 18.492 12.495 6.995 0.00 0.00 SOLV ATOM 20258 H1 TIP3 4755 19.132 13.198 7.074 0.00 0.00 SOLV ATOM 20259 H2 TIP3 4755 18.967 11.722 6.540 0.00 0.00 SOLV ATOM 20260 OH2 TIP3 4756 -1.852 -4.281 47.292 0.00 0.00 SOLV ATOM 20261 H1 TIP3 4756 -2.124 -4.392 46.384 0.00 0.00 SOLV ATOM 20262 H2 TIP3 4756 -2.690 -4.451 47.737 0.00 0.00 SOLV ATOM 20263 OH2 TIP3 4757 -2.317 12.007 43.060 0.00 0.00 SOLV ATOM 20264 H1 TIP3 4757 -2.342 12.780 43.676 0.00 0.00 SOLV ATOM 20265 H2 TIP3 4757 -3.061 12.133 42.504 0.00 0.00 SOLV ATOM 20266 OH2 TIP3 4758 -0.140 0.781 44.236 0.00 0.00 SOLV ATOM 20267 H1 TIP3 4758 -0.284 1.700 44.025 0.00 0.00 SOLV ATOM 20268 H2 TIP3 4758 -0.327 0.328 43.429 0.00 0.00 SOLV ATOM 20269 OH2 TIP3 4759 -16.299 -4.872 43.822 0.00 0.00 SOLV ATOM 20270 H1 TIP3 4759 -16.719 -5.547 43.271 0.00 0.00 SOLV ATOM 20271 H2 TIP3 4759 -15.798 -5.387 44.426 0.00 0.00 SOLV ATOM 20272 OH2 TIP3 4760 -11.708 7.760 32.490 0.00 0.00 SOLV ATOM 20273 H1 TIP3 4760 -11.787 6.813 32.353 0.00 0.00 SOLV ATOM 20274 H2 TIP3 4760 -12.342 7.999 33.195 0.00 0.00 SOLV ATOM 20275 OH2 TIP3 4761 -18.512 10.365 28.654 0.00 0.00 SOLV ATOM 20276 H1 TIP3 4761 -19.180 9.609 28.710 0.00 0.00 SOLV ATOM 20277 H2 TIP3 4761 -18.941 10.946 28.118 0.00 0.00 SOLV ATOM 20278 OH2 TIP3 4762 -7.208 -0.859 42.389 0.00 0.00 SOLV ATOM 20279 H1 TIP3 4762 -6.904 0.061 42.306 0.00 0.00 SOLV ATOM 20280 H2 TIP3 4762 -7.213 -1.190 41.450 0.00 0.00 SOLV ATOM 20281 OH2 TIP3 4763 -5.918 -2.601 49.330 0.00 0.00 SOLV ATOM 20282 H1 TIP3 4763 -6.261 -2.959 50.143 0.00 0.00 SOLV ATOM 20283 H2 TIP3 4763 -5.125 -2.106 49.583 0.00 0.00 SOLV ATOM 20284 OH2 TIP3 4764 -7.418 -3.875 47.118 0.00 0.00 SOLV ATOM 20285 H1 TIP3 4764 -7.130 -3.359 46.356 0.00 0.00 SOLV ATOM 20286 H2 TIP3 4764 -6.868 -3.552 47.866 0.00 0.00 SOLV ATOM 20287 OH2 TIP3 4765 14.070 15.867 8.452 0.00 0.00 SOLV ATOM 20288 H1 TIP3 4765 14.175 15.452 9.309 0.00 0.00 SOLV ATOM 20289 H2 TIP3 4765 13.072 15.821 8.287 0.00 0.00 SOLV ATOM 20290 OH2 TIP3 4766 -26.463 -6.192 7.634 0.00 0.00 SOLV ATOM 20291 H1 TIP3 4766 -26.480 -5.926 6.692 0.00 0.00 SOLV ATOM 20292 H2 TIP3 4766 -26.627 -5.288 8.038 0.00 0.00 SOLV ATOM 20293 OH2 TIP3 4767 17.406 6.128 38.700 0.00 0.00 SOLV ATOM 20294 H1 TIP3 4767 17.072 6.015 37.759 0.00 0.00 SOLV ATOM 20295 H2 TIP3 4767 18.040 5.417 38.835 0.00 0.00 SOLV ATOM 20296 OH2 TIP3 4768 9.220 -8.185 47.552 0.00 0.00 SOLV ATOM 20297 H1 TIP3 4768 8.512 -7.582 47.766 0.00 0.00 SOLV ATOM 20298 H2 TIP3 4768 8.841 -9.022 47.750 0.00 0.00 SOLV ATOM 20299 OH2 TIP3 4769 0.248 5.169 40.933 0.00 0.00 SOLV ATOM 20300 H1 TIP3 4769 0.639 5.951 40.656 0.00 0.00 SOLV ATOM 20301 H2 TIP3 4769 0.908 4.438 40.820 0.00 0.00 SOLV ATOM 20302 OH2 TIP3 4770 -3.508 9.599 39.291 0.00 0.00 SOLV ATOM 20303 H1 TIP3 4770 -3.883 8.697 39.396 0.00 0.00 SOLV ATOM 20304 H2 TIP3 4770 -2.887 9.620 40.068 0.00 0.00 SOLV ATOM 20305 OH2 TIP3 4771 -27.361 -9.353 29.226 0.00 0.00 SOLV ATOM 20306 H1 TIP3 4771 -27.001 -9.327 30.121 0.00 0.00 SOLV ATOM 20307 H2 TIP3 4771 -27.810 -10.214 29.218 0.00 0.00 SOLV ATOM 20308 OH2 TIP3 4772 -2.679 3.479 44.174 0.00 0.00 SOLV ATOM 20309 H1 TIP3 4772 -1.787 3.550 43.747 0.00 0.00 SOLV ATOM 20310 H2 TIP3 4772 -3.172 3.120 43.393 0.00 0.00 SOLV ATOM 20311 OH2 TIP3 4773 -2.796 9.854 45.060 0.00 0.00 SOLV ATOM 20312 H1 TIP3 4773 -3.473 10.517 44.803 0.00 0.00 SOLV ATOM 20313 H2 TIP3 4773 -1.914 10.146 44.782 0.00 0.00 SOLV ATOM 20314 OH2 TIP3 4774 -12.228 -22.257 16.730 0.00 0.00 SOLV ATOM 20315 H1 TIP3 4774 -12.929 -21.672 16.389 0.00 0.00 SOLV ATOM 20316 H2 TIP3 4774 -11.756 -21.618 17.296 0.00 0.00 SOLV ATOM 20317 OH2 TIP3 4775 -3.962 -44.763 17.789 0.00 0.00 SOLV ATOM 20318 H1 TIP3 4775 -3.073 -44.462 17.480 0.00 0.00 SOLV ATOM 20319 H2 TIP3 4775 -4.434 -43.950 17.645 0.00 0.00 SOLV ATOM 20320 OH2 TIP3 4776 1.316 -38.526 24.985 0.00 0.00 SOLV ATOM 20321 H1 TIP3 4776 0.506 -38.514 25.469 0.00 0.00 SOLV ATOM 20322 H2 TIP3 4776 1.354 -37.642 24.487 0.00 0.00 SOLV ATOM 20323 OH2 TIP3 4777 -10.144 9.202 34.127 0.00 0.00 SOLV ATOM 20324 H1 TIP3 4777 -10.578 9.066 33.264 0.00 0.00 SOLV ATOM 20325 H2 TIP3 4777 -10.221 8.354 34.661 0.00 0.00 SOLV ATOM 20326 OH2 TIP3 4778 -5.531 -0.700 39.662 0.00 0.00 SOLV ATOM 20327 H1 TIP3 4778 -6.291 -1.333 39.514 0.00 0.00 SOLV ATOM 20328 H2 TIP3 4778 -4.878 -1.052 39.017 0.00 0.00 SOLV ATOM 20329 OH2 TIP3 4779 4.002 -0.103 40.189 0.00 0.00 SOLV ATOM 20330 H1 TIP3 4779 3.226 -0.153 39.707 0.00 0.00 SOLV ATOM 20331 H2 TIP3 4779 3.705 0.357 40.982 0.00 0.00 SOLV ATOM 20332 OH2 TIP3 4780 -4.449 -0.111 44.265 0.00 0.00 SOLV ATOM 20333 H1 TIP3 4780 -3.572 -0.109 43.796 0.00 0.00 SOLV ATOM 20334 H2 TIP3 4780 -4.315 -0.882 44.854 0.00 0.00 SOLV ATOM 20335 OH2 TIP3 4781 0.456 14.223 45.986 0.00 0.00 SOLV ATOM 20336 H1 TIP3 4781 0.329 13.312 46.266 0.00 0.00 SOLV ATOM 20337 H2 TIP3 4781 1.461 14.326 45.945 0.00 0.00 SOLV ATOM 20338 OH2 TIP3 4782 -11.710 -44.575 19.811 0.00 0.00 SOLV ATOM 20339 H1 TIP3 4782 -11.158 -44.903 19.117 0.00 0.00 SOLV ATOM 20340 H2 TIP3 4782 -12.601 -44.987 19.579 0.00 0.00 SOLV ATOM 20341 OH2 TIP3 4783 -14.944 12.128 28.028 0.00 0.00 SOLV ATOM 20342 H1 TIP3 4783 -15.243 13.075 28.155 0.00 0.00 SOLV ATOM 20343 H2 TIP3 4783 -13.977 12.195 28.220 0.00 0.00 SOLV ATOM 20344 OH2 TIP3 4784 -1.786 12.718 23.760 0.00 0.00 SOLV ATOM 20345 H1 TIP3 4784 -2.715 12.642 24.080 0.00 0.00 SOLV ATOM 20346 H2 TIP3 4784 -1.888 13.316 22.993 0.00 0.00 SOLV ATOM 20347 OH2 TIP3 4785 -10.946 -22.731 13.208 0.00 0.00 SOLV ATOM 20348 H1 TIP3 4785 -11.024 -23.412 13.998 0.00 0.00 SOLV ATOM 20349 H2 TIP3 4785 -10.982 -21.818 13.683 0.00 0.00 SOLV ATOM 20350 OH2 TIP3 4786 -8.429 13.679 40.681 0.00 0.00 SOLV ATOM 20351 H1 TIP3 4786 -8.664 13.198 39.896 0.00 0.00 SOLV ATOM 20352 H2 TIP3 4786 -8.459 14.644 40.553 0.00 0.00 SOLV ATOM 20353 OH2 TIP3 4787 9.563 15.224 33.580 0.00 0.00 SOLV ATOM 20354 H1 TIP3 4787 8.982 15.320 32.784 0.00 0.00 SOLV ATOM 20355 H2 TIP3 4787 10.045 14.379 33.333 0.00 0.00 SOLV ATOM 20356 OH2 TIP3 4788 16.210 13.063 34.743 0.00 0.00 SOLV ATOM 20357 H1 TIP3 4788 16.222 13.564 33.882 0.00 0.00 SOLV ATOM 20358 H2 TIP3 4788 15.606 12.325 34.538 0.00 0.00 SOLV ATOM 20359 OH2 TIP3 4789 4.389 15.555 21.919 0.00 0.00 SOLV ATOM 20360 H1 TIP3 4789 4.864 14.708 21.719 0.00 0.00 SOLV ATOM 20361 H2 TIP3 4789 3.529 15.381 21.488 0.00 0.00 SOLV ATOM 20362 OH2 TIP3 4790 -21.356 -7.260 31.764 0.00 0.00 SOLV ATOM 20363 H1 TIP3 4790 -21.069 -7.186 30.845 0.00 0.00 SOLV ATOM 20364 H2 TIP3 4790 -20.553 -7.012 32.290 0.00 0.00 SOLV ATOM 20365 OH2 TIP3 4791 -5.336 13.753 45.351 0.00 0.00 SOLV ATOM 20366 H1 TIP3 4791 -5.504 14.399 46.042 0.00 0.00 SOLV ATOM 20367 H2 TIP3 4791 -5.205 12.928 45.816 0.00 0.00 SOLV ATOM 20368 OH2 TIP3 4792 0.103 7.034 46.076 0.00 0.00 SOLV ATOM 20369 H1 TIP3 4792 0.384 7.385 45.168 0.00 0.00 SOLV ATOM 20370 H2 TIP3 4792 -0.904 6.849 46.010 0.00 0.00 SOLV ATOM 20371 OH2 TIP3 4793 -5.568 -47.020 17.742 0.00 0.00 SOLV ATOM 20372 H1 TIP3 4793 -4.789 -46.449 17.878 0.00 0.00 SOLV ATOM 20373 H2 TIP3 4793 -5.493 -47.652 18.517 0.00 0.00 SOLV ATOM 20374 OH2 TIP3 4794 -17.984 1.169 26.515 0.00 0.00 SOLV ATOM 20375 H1 TIP3 4794 -18.959 1.047 26.787 0.00 0.00 SOLV ATOM 20376 H2 TIP3 4794 -17.696 0.239 26.456 0.00 0.00 SOLV ATOM 20377 OH2 TIP3 4795 -19.098 -12.821 36.794 0.00 0.00 SOLV ATOM 20378 H1 TIP3 4795 -19.075 -13.393 37.592 0.00 0.00 SOLV ATOM 20379 H2 TIP3 4795 -19.450 -13.424 36.105 0.00 0.00 SOLV ATOM 20380 OH2 TIP3 4796 -3.661 -42.758 27.628 0.00 0.00 SOLV ATOM 20381 H1 TIP3 4796 -3.695 -41.855 27.184 0.00 0.00 SOLV ATOM 20382 H2 TIP3 4796 -3.081 -42.566 28.372 0.00 0.00 SOLV ATOM 20383 OH2 TIP3 4797 -13.780 11.157 41.435 0.00 0.00 SOLV ATOM 20384 H1 TIP3 4797 -14.458 11.798 41.327 0.00 0.00 SOLV ATOM 20385 H2 TIP3 4797 -14.136 10.330 41.033 0.00 0.00 SOLV ATOM 20386 OH2 TIP3 4798 -9.095 -12.431 11.993 0.00 0.00 SOLV ATOM 20387 H1 TIP3 4798 -8.951 -11.664 12.597 0.00 0.00 SOLV ATOM 20388 H2 TIP3 4798 -8.797 -13.157 12.576 0.00 0.00 SOLV ATOM 20389 OH2 TIP3 4799 0.544 -42.972 17.335 0.00 0.00 SOLV ATOM 20390 H1 TIP3 4799 0.484 -42.456 18.128 0.00 0.00 SOLV ATOM 20391 H2 TIP3 4799 1.457 -42.886 17.126 0.00 0.00 SOLV ATOM 20392 OH2 TIP3 4800 6.715 0.638 38.604 0.00 0.00 SOLV ATOM 20393 H1 TIP3 4800 6.055 0.852 39.276 0.00 0.00 SOLV ATOM 20394 H2 TIP3 4800 7.055 1.505 38.380 0.00 0.00 SOLV ATOM 20395 OH2 TIP3 4801 -2.231 -44.698 22.661 0.00 0.00 SOLV ATOM 20396 H1 TIP3 4801 -1.360 -44.481 22.997 0.00 0.00 SOLV ATOM 20397 H2 TIP3 4801 -2.575 -43.887 22.258 0.00 0.00 SOLV ATOM 20398 OH2 TIP3 4802 2.909 -9.963 42.607 0.00 0.00 SOLV ATOM 20399 H1 TIP3 4802 2.280 -9.533 42.017 0.00 0.00 SOLV ATOM 20400 H2 TIP3 4802 2.495 -10.833 42.705 0.00 0.00 SOLV ATOM 20401 OH2 TIP3 4803 -22.651 10.443 22.134 0.00 0.00 SOLV ATOM 20402 H1 TIP3 4803 -22.094 11.067 21.695 0.00 0.00 SOLV ATOM 20403 H2 TIP3 4803 -22.223 10.455 23.014 0.00 0.00 SOLV ATOM 20404 OH2 TIP3 4804 -3.283 -35.300 33.396 0.00 0.00 SOLV ATOM 20405 H1 TIP3 4804 -2.378 -35.487 33.655 0.00 0.00 SOLV ATOM 20406 H2 TIP3 4804 -3.140 -35.305 32.434 0.00 0.00 SOLV ATOM 20407 OH2 TIP3 4805 18.416 16.048 35.522 0.00 0.00 SOLV ATOM 20408 H1 TIP3 4805 17.474 16.335 35.640 0.00 0.00 SOLV ATOM 20409 H2 TIP3 4805 18.829 16.034 36.406 0.00 0.00 SOLV ATOM 20410 OH2 TIP3 4806 9.934 15.525 9.321 0.00 0.00 SOLV ATOM 20411 H1 TIP3 4806 10.576 15.211 9.959 0.00 0.00 SOLV ATOM 20412 H2 TIP3 4806 9.345 16.074 9.926 0.00 0.00 SOLV ATOM 20413 OH2 TIP3 4807 -0.438 12.313 39.779 0.00 0.00 SOLV ATOM 20414 H1 TIP3 4807 0.137 12.684 40.452 0.00 0.00 SOLV ATOM 20415 H2 TIP3 4807 -0.107 12.839 39.034 0.00 0.00 SOLV ATOM 20416 OH2 TIP3 4808 2.009 -31.736 7.727 0.00 0.00 SOLV ATOM 20417 H1 TIP3 4808 1.214 -31.220 7.834 0.00 0.00 SOLV ATOM 20418 H2 TIP3 4808 1.767 -32.562 8.196 0.00 0.00 SOLV ATOM 20419 OH2 TIP3 4809 -10.717 4.678 32.564 0.00 0.00 SOLV ATOM 20420 H1 TIP3 4809 -10.160 4.045 32.068 0.00 0.00 SOLV ATOM 20421 H2 TIP3 4809 -10.006 5.242 32.933 0.00 0.00 SOLV ATOM 20422 OH2 TIP3 4810 17.700 1.907 18.889 0.00 0.00 SOLV ATOM 20423 H1 TIP3 4810 17.449 0.960 18.666 0.00 0.00 SOLV ATOM 20424 H2 TIP3 4810 17.658 1.928 19.820 0.00 0.00 SOLV ATOM 20425 OH2 TIP3 4811 -0.476 -43.838 26.316 0.00 0.00 SOLV ATOM 20426 H1 TIP3 4811 -0.573 -43.671 27.285 0.00 0.00 SOLV ATOM 20427 H2 TIP3 4811 -1.280 -44.426 26.110 0.00 0.00 SOLV ATOM 20428 OH2 TIP3 4812 12.142 15.719 39.530 0.00 0.00 SOLV ATOM 20429 H1 TIP3 4812 11.282 15.448 39.212 0.00 0.00 SOLV ATOM 20430 H2 TIP3 4812 11.953 16.025 40.394 0.00 0.00 SOLV ATOM 20431 OH2 TIP3 4813 3.622 -43.940 21.316 0.00 0.00 SOLV ATOM 20432 H1 TIP3 4813 3.779 -43.647 20.419 0.00 0.00 SOLV ATOM 20433 H2 TIP3 4813 4.286 -43.463 21.826 0.00 0.00 SOLV ATOM 20434 OH2 TIP3 4814 -4.434 16.234 35.522 0.00 0.00 SOLV ATOM 20435 H1 TIP3 4814 -5.426 16.230 35.312 0.00 0.00 SOLV ATOM 20436 H2 TIP3 4814 -4.371 15.402 36.007 0.00 0.00 SOLV ATOM 20437 OH2 TIP3 4815 -9.671 -34.357 23.467 0.00 0.00 SOLV ATOM 20438 H1 TIP3 4815 -9.445 -34.633 22.563 0.00 0.00 SOLV ATOM 20439 H2 TIP3 4815 -9.085 -34.985 23.984 0.00 0.00 SOLV ATOM 20440 OH2 TIP3 4816 -4.782 14.176 42.585 0.00 0.00 SOLV ATOM 20441 H1 TIP3 4816 -4.887 14.282 43.552 0.00 0.00 SOLV ATOM 20442 H2 TIP3 4816 -4.579 15.094 42.349 0.00 0.00 SOLV ATOM 20443 OH2 TIP3 4817 6.987 7.712 -0.937 0.00 0.00 SOLV ATOM 20444 H1 TIP3 4817 6.118 7.501 -0.449 0.00 0.00 SOLV ATOM 20445 H2 TIP3 4817 6.655 7.748 -1.846 0.00 0.00 SOLV ATOM 20446 OH2 TIP3 4818 -1.075 -39.137 7.553 0.00 0.00 SOLV ATOM 20447 H1 TIP3 4818 -1.066 -38.190 7.587 0.00 0.00 SOLV ATOM 20448 H2 TIP3 4818 -2.025 -39.416 7.622 0.00 0.00 SOLV ATOM 20449 OH2 TIP3 4819 11.358 -33.615 17.543 0.00 0.00 SOLV ATOM 20450 H1 TIP3 4819 10.551 -33.325 17.889 0.00 0.00 SOLV ATOM 20451 H2 TIP3 4819 11.158 -33.700 16.620 0.00 0.00 SOLV ATOM 20452 OH2 TIP3 4820 4.006 -32.067 11.380 0.00 0.00 SOLV ATOM 20453 H1 TIP3 4820 3.192 -32.598 11.424 0.00 0.00 SOLV ATOM 20454 H2 TIP3 4820 4.324 -32.304 10.511 0.00 0.00 SOLV ATOM 20455 OH2 TIP3 4821 1.978 -41.345 27.703 0.00 0.00 SOLV ATOM 20456 H1 TIP3 4821 2.445 -41.212 26.913 0.00 0.00 SOLV ATOM 20457 H2 TIP3 4821 1.420 -40.573 27.899 0.00 0.00 SOLV ATOM 20458 OH2 TIP3 4822 5.723 -35.264 33.166 0.00 0.00 SOLV ATOM 20459 H1 TIP3 4822 6.090 -35.085 34.021 0.00 0.00 SOLV ATOM 20460 H2 TIP3 4822 6.158 -36.135 32.898 0.00 0.00 SOLV ATOM 20461 OH2 TIP3 4823 -20.158 -35.430 32.302 0.00 0.00 SOLV ATOM 20462 H1 TIP3 4823 -19.916 -34.588 32.754 0.00 0.00 SOLV ATOM 20463 H2 TIP3 4823 -21.020 -35.620 32.620 0.00 0.00 SOLV ATOM 20464 OH2 TIP3 4824 -1.281 -33.976 36.000 0.00 0.00 SOLV ATOM 20465 H1 TIP3 4824 -2.280 -34.011 36.014 0.00 0.00 SOLV ATOM 20466 H2 TIP3 4824 -1.068 -33.591 35.100 0.00 0.00 SOLV ATOM 20467 OH2 TIP3 4825 11.563 15.864 42.153 0.00 0.00 SOLV ATOM 20468 H1 TIP3 4825 12.208 15.542 42.831 0.00 0.00 SOLV ATOM 20469 H2 TIP3 4825 10.931 15.066 42.160 0.00 0.00 SOLV ATOM 20470 OH2 TIP3 4826 -28.067 -11.939 26.156 0.00 0.00 SOLV ATOM 20471 H1 TIP3 4826 -28.252 -11.845 27.101 0.00 0.00 SOLV ATOM 20472 H2 TIP3 4826 -27.359 -12.606 26.152 0.00 0.00 SOLV ATOM 20473 OH2 TIP3 4827 2.624 -28.417 10.519 0.00 0.00 SOLV ATOM 20474 H1 TIP3 4827 2.843 -27.521 10.226 0.00 0.00 SOLV ATOM 20475 H2 TIP3 4827 2.268 -28.852 9.712 0.00 0.00 SOLV ATOM 20476 OH2 TIP3 4828 9.822 -27.914 18.052 0.00 0.00 SOLV ATOM 20477 H1 TIP3 4828 9.907 -27.609 18.969 0.00 0.00 SOLV ATOM 20478 H2 TIP3 4828 8.896 -27.765 17.945 0.00 0.00 SOLV ATOM 20479 OH2 TIP3 4829 -0.352 -35.831 29.545 0.00 0.00 SOLV ATOM 20480 H1 TIP3 4829 -0.162 -34.889 29.504 0.00 0.00 SOLV ATOM 20481 H2 TIP3 4829 0.510 -36.287 29.676 0.00 0.00 SOLV ATOM 20482 OH2 TIP3 4830 13.420 -31.674 16.441 0.00 0.00 SOLV ATOM 20483 H1 TIP3 4830 14.027 -31.666 17.204 0.00 0.00 SOLV ATOM 20484 H2 TIP3 4830 12.607 -32.003 16.863 0.00 0.00 SOLV ATOM 20485 OH2 TIP3 4831 -0.118 -32.230 45.341 0.00 0.00 SOLV ATOM 20486 H1 TIP3 4831 -0.486 -31.930 44.551 0.00 0.00 SOLV ATOM 20487 H2 TIP3 4831 0.840 -32.274 45.158 0.00 0.00 SOLV ATOM 20488 OH2 TIP3 4832 -16.600 -32.635 17.980 0.00 0.00 SOLV ATOM 20489 H1 TIP3 4832 -17.133 -32.167 18.583 0.00 0.00 SOLV ATOM 20490 H2 TIP3 4832 -15.743 -32.625 18.465 0.00 0.00 SOLV ATOM 20491 OH2 TIP3 4833 -0.062 -34.207 19.021 0.00 0.00 SOLV ATOM 20492 H1 TIP3 4833 0.184 -33.305 18.738 0.00 0.00 SOLV ATOM 20493 H2 TIP3 4833 -0.302 -34.630 18.123 0.00 0.00 SOLV ATOM 20494 OH2 TIP3 4834 -14.879 -12.889 18.680 0.00 0.00 SOLV ATOM 20495 H1 TIP3 4834 -14.403 -12.171 18.284 0.00 0.00 SOLV ATOM 20496 H2 TIP3 4834 -14.830 -12.702 19.595 0.00 0.00 SOLV ATOM 20497 OH2 TIP3 4835 7.214 13.131 -7.450 0.00 0.00 SOLV ATOM 20498 H1 TIP3 4835 7.558 12.543 -8.162 0.00 0.00 SOLV ATOM 20499 H2 TIP3 4835 6.347 12.737 -7.306 0.00 0.00 SOLV ATOM 20500 OH2 TIP3 4836 -12.485 15.119 27.434 0.00 0.00 SOLV ATOM 20501 H1 TIP3 4836 -12.349 14.704 28.302 0.00 0.00 SOLV ATOM 20502 H2 TIP3 4836 -11.577 15.321 27.184 0.00 0.00 SOLV ATOM 20503 OH2 TIP3 4837 1.409 -37.898 33.336 0.00 0.00 SOLV ATOM 20504 H1 TIP3 4837 1.936 -38.663 33.077 0.00 0.00 SOLV ATOM 20505 H2 TIP3 4837 1.868 -37.074 32.936 0.00 0.00 SOLV ATOM 20506 OH2 TIP3 4838 -17.107 -32.789 30.630 0.00 0.00 SOLV ATOM 20507 H1 TIP3 4838 -17.232 -33.616 30.134 0.00 0.00 SOLV ATOM 20508 H2 TIP3 4838 -17.821 -32.227 30.422 0.00 0.00 SOLV ATOM 20509 OH2 TIP3 4839 -5.779 -22.264 51.039 0.00 0.00 SOLV ATOM 20510 H1 TIP3 4839 -6.419 -22.380 51.764 0.00 0.00 SOLV ATOM 20511 H2 TIP3 4839 -5.229 -23.059 51.143 0.00 0.00 SOLV ATOM 20512 OH2 TIP3 4840 5.442 16.032 43.900 0.00 0.00 SOLV ATOM 20513 H1 TIP3 4840 4.960 15.628 44.633 0.00 0.00 SOLV ATOM 20514 H2 TIP3 4840 6.294 16.197 44.324 0.00 0.00 SOLV ATOM 20515 OH2 TIP3 4841 -6.657 -34.605 38.542 0.00 0.00 SOLV ATOM 20516 H1 TIP3 4841 -6.147 -34.155 39.252 0.00 0.00 SOLV ATOM 20517 H2 TIP3 4841 -7.439 -34.864 39.017 0.00 0.00 SOLV ATOM 20518 OH2 TIP3 4842 5.185 -36.823 18.363 0.00 0.00 SOLV ATOM 20519 H1 TIP3 4842 4.835 -35.994 18.335 0.00 0.00 SOLV ATOM 20520 H2 TIP3 4842 4.596 -37.298 19.024 0.00 0.00 SOLV ATOM 20521 OH2 TIP3 4843 -20.139 -5.753 25.357 0.00 0.00 SOLV ATOM 20522 H1 TIP3 4843 -21.084 -5.791 25.459 0.00 0.00 SOLV ATOM 20523 H2 TIP3 4843 -19.964 -5.081 26.042 0.00 0.00 SOLV ATOM 20524 OH2 TIP3 4844 -1.217 -45.789 19.127 0.00 0.00 SOLV ATOM 20525 H1 TIP3 4844 -0.405 -45.361 18.977 0.00 0.00 SOLV ATOM 20526 H2 TIP3 4844 -1.123 -46.001 20.044 0.00 0.00 SOLV ATOM 20527 OH2 TIP3 4845 -27.988 -8.738 23.685 0.00 0.00 SOLV ATOM 20528 H1 TIP3 4845 -28.423 -9.588 23.708 0.00 0.00 SOLV ATOM 20529 H2 TIP3 4845 -28.040 -8.376 22.810 0.00 0.00 SOLV ATOM 20530 OH2 TIP3 4846 -1.302 -38.445 26.441 0.00 0.00 SOLV ATOM 20531 H1 TIP3 4846 -1.704 -37.881 25.801 0.00 0.00 SOLV ATOM 20532 H2 TIP3 4846 -2.047 -39.002 26.752 0.00 0.00 SOLV ATOM 20533 OH2 TIP3 4847 10.690 -11.819 18.632 0.00 0.00 SOLV ATOM 20534 H1 TIP3 4847 10.956 -12.587 18.101 0.00 0.00 SOLV ATOM 20535 H2 TIP3 4847 10.994 -12.078 19.523 0.00 0.00 SOLV ATOM 20536 OH2 TIP3 4848 6.213 -30.805 32.314 0.00 0.00 SOLV ATOM 20537 H1 TIP3 4848 5.614 -31.648 32.475 0.00 0.00 SOLV ATOM 20538 H2 TIP3 4848 5.575 -30.072 32.159 0.00 0.00 SOLV ATOM 20539 OH2 TIP3 4849 -14.263 -35.211 41.237 0.00 0.00 SOLV ATOM 20540 H1 TIP3 4849 -13.602 -35.834 41.342 0.00 0.00 SOLV ATOM 20541 H2 TIP3 4849 -13.794 -34.396 41.032 0.00 0.00 SOLV ATOM 20542 OH2 TIP3 4850 4.004 -11.530 6.224 0.00 0.00 SOLV ATOM 20543 H1 TIP3 4850 3.332 -11.200 6.784 0.00 0.00 SOLV ATOM 20544 H2 TIP3 4850 3.901 -12.532 6.281 0.00 0.00 SOLV ATOM 20545 OH2 TIP3 4851 -8.194 -29.755 31.588 0.00 0.00 SOLV ATOM 20546 H1 TIP3 4851 -8.811 -30.499 31.816 0.00 0.00 SOLV ATOM 20547 H2 TIP3 4851 -7.559 -29.813 32.300 0.00 0.00 SOLV ATOM 20548 OH2 TIP3 4852 -9.912 -31.882 31.668 0.00 0.00 SOLV ATOM 20549 H1 TIP3 4852 -9.429 -32.420 31.029 0.00 0.00 SOLV ATOM 20550 H2 TIP3 4852 -9.693 -32.326 32.500 0.00 0.00 SOLV ATOM 20551 OH2 TIP3 4853 11.387 -22.744 25.228 0.00 0.00 SOLV ATOM 20552 H1 TIP3 4853 11.149 -23.445 24.672 0.00 0.00 SOLV ATOM 20553 H2 TIP3 4853 12.184 -23.041 25.715 0.00 0.00 SOLV ATOM 20554 OH2 TIP3 4854 12.163 -28.379 15.092 0.00 0.00 SOLV ATOM 20555 H1 TIP3 4854 13.047 -28.790 15.003 0.00 0.00 SOLV ATOM 20556 H2 TIP3 4854 11.695 -29.031 15.647 0.00 0.00 SOLV ATOM 20557 OH2 TIP3 4855 11.403 1.681 33.468 0.00 0.00 SOLV ATOM 20558 H1 TIP3 4855 11.106 1.676 32.505 0.00 0.00 SOLV ATOM 20559 H2 TIP3 4855 12.213 1.152 33.475 0.00 0.00 SOLV ATOM 20560 OH2 TIP3 4856 -4.321 -35.995 28.535 0.00 0.00 SOLV ATOM 20561 H1 TIP3 4856 -4.768 -36.906 28.483 0.00 0.00 SOLV ATOM 20562 H2 TIP3 4856 -4.604 -35.522 27.749 0.00 0.00 SOLV ATOM 20563 OH2 TIP3 4857 8.156 -31.290 27.656 0.00 0.00 SOLV ATOM 20564 H1 TIP3 4857 7.880 -30.768 28.434 0.00 0.00 SOLV ATOM 20565 H2 TIP3 4857 9.100 -31.136 27.710 0.00 0.00 SOLV ATOM 20566 OH2 TIP3 4858 -0.070 -40.163 34.490 0.00 0.00 SOLV ATOM 20567 H1 TIP3 4858 0.441 -39.516 34.052 0.00 0.00 SOLV ATOM 20568 H2 TIP3 4858 -0.257 -40.883 33.862 0.00 0.00 SOLV ATOM 20569 OH2 TIP3 4859 -12.882 -24.185 11.811 0.00 0.00 SOLV ATOM 20570 H1 TIP3 4859 -12.499 -23.518 12.425 0.00 0.00 SOLV ATOM 20571 H2 TIP3 4859 -13.807 -23.865 11.753 0.00 0.00 SOLV ATOM 20572 OH2 TIP3 4860 -18.662 -24.476 16.972 0.00 0.00 SOLV ATOM 20573 H1 TIP3 4860 -18.742 -25.428 17.202 0.00 0.00 SOLV ATOM 20574 H2 TIP3 4860 -17.834 -24.511 16.470 0.00 0.00 SOLV ATOM 20575 OH2 TIP3 4861 -19.151 -17.789 46.728 0.00 0.00 SOLV ATOM 20576 H1 TIP3 4861 -19.319 -18.756 46.767 0.00 0.00 SOLV ATOM 20577 H2 TIP3 4861 -18.181 -17.778 46.920 0.00 0.00 SOLV ATOM 20578 OH2 TIP3 4862 9.458 -34.127 36.159 0.00 0.00 SOLV ATOM 20579 H1 TIP3 4862 10.069 -34.400 35.468 0.00 0.00 SOLV ATOM 20580 H2 TIP3 4862 10.008 -33.963 36.965 0.00 0.00 SOLV ATOM 20581 OH2 TIP3 4863 6.031 -25.153 9.759 0.00 0.00 SOLV ATOM 20582 H1 TIP3 4863 6.191 -24.199 9.849 0.00 0.00 SOLV ATOM 20583 H2 TIP3 4863 6.708 -25.552 9.255 0.00 0.00 SOLV ATOM 20584 OH2 TIP3 4864 -5.556 -39.107 11.555 0.00 0.00 SOLV ATOM 20585 H1 TIP3 4864 -6.102 -38.815 12.253 0.00 0.00 SOLV ATOM 20586 H2 TIP3 4864 -5.356 -40.006 11.968 0.00 0.00 SOLV ATOM 20587 OH2 TIP3 4865 11.369 -20.048 8.703 0.00 0.00 SOLV ATOM 20588 H1 TIP3 4865 12.341 -19.839 8.606 0.00 0.00 SOLV ATOM 20589 H2 TIP3 4865 11.342 -20.948 9.052 0.00 0.00 SOLV ATOM 20590 OH2 TIP3 4866 -1.724 -44.078 16.330 0.00 0.00 SOLV ATOM 20591 H1 TIP3 4866 -1.647 -43.334 15.744 0.00 0.00 SOLV ATOM 20592 H2 TIP3 4866 -1.027 -43.892 16.956 0.00 0.00 SOLV ATOM 20593 OH2 TIP3 4867 3.505 -2.780 34.126 0.00 0.00 SOLV ATOM 20594 H1 TIP3 4867 2.851 -2.206 34.490 0.00 0.00 SOLV ATOM 20595 H2 TIP3 4867 3.914 -3.112 34.944 0.00 0.00 SOLV ATOM 20596 OH2 TIP3 4868 4.950 -24.445 19.028 0.00 0.00 SOLV ATOM 20597 H1 TIP3 4868 5.008 -24.106 19.951 0.00 0.00 SOLV ATOM 20598 H2 TIP3 4868 4.562 -23.703 18.431 0.00 0.00 SOLV ATOM 20599 OH2 TIP3 4869 0.834 -22.590 41.996 0.00 0.00 SOLV ATOM 20600 H1 TIP3 4869 1.012 -23.182 41.305 0.00 0.00 SOLV ATOM 20601 H2 TIP3 4869 1.093 -21.715 41.635 0.00 0.00 SOLV ATOM 20602 OH2 TIP3 4870 -4.643 -19.869 6.080 0.00 0.00 SOLV ATOM 20603 H1 TIP3 4870 -5.544 -19.469 5.870 0.00 0.00 SOLV ATOM 20604 H2 TIP3 4870 -4.786 -20.221 7.004 0.00 0.00 SOLV ATOM 20605 OH2 TIP3 4871 -4.313 -34.256 43.260 0.00 0.00 SOLV ATOM 20606 H1 TIP3 4871 -3.673 -34.249 42.578 0.00 0.00 SOLV ATOM 20607 H2 TIP3 4871 -3.923 -33.701 43.946 0.00 0.00 SOLV ATOM 20608 OH2 TIP3 4872 0.578 -23.234 9.381 0.00 0.00 SOLV ATOM 20609 H1 TIP3 4872 1.026 -23.775 9.953 0.00 0.00 SOLV ATOM 20610 H2 TIP3 4872 0.888 -23.542 8.497 0.00 0.00 SOLV ATOM 20611 OH2 TIP3 4873 0.058 -20.513 53.994 0.00 0.00 SOLV ATOM 20612 H1 TIP3 4873 -0.008 -19.612 54.450 0.00 0.00 SOLV ATOM 20613 H2 TIP3 4873 0.992 -20.544 54.021 0.00 0.00 SOLV ATOM 20614 OH2 TIP3 4874 -20.901 -14.361 31.155 0.00 0.00 SOLV ATOM 20615 H1 TIP3 4874 -20.172 -14.874 31.544 0.00 0.00 SOLV ATOM 20616 H2 TIP3 4874 -21.507 -14.265 31.954 0.00 0.00 SOLV ATOM 20617 OH2 TIP3 4875 -1.488 -21.051 10.661 0.00 0.00 SOLV ATOM 20618 H1 TIP3 4875 -1.496 -20.102 10.891 0.00 0.00 SOLV ATOM 20619 H2 TIP3 4875 -0.598 -21.148 10.295 0.00 0.00 SOLV ATOM 20620 OH2 TIP3 4876 -4.295 -23.866 7.419 0.00 0.00 SOLV ATOM 20621 H1 TIP3 4876 -4.817 -24.126 6.604 0.00 0.00 SOLV ATOM 20622 H2 TIP3 4876 -3.934 -23.035 7.095 0.00 0.00 SOLV ATOM 20623 OH2 TIP3 4877 -25.419 -10.298 19.983 0.00 0.00 SOLV ATOM 20624 H1 TIP3 4877 -25.811 -11.064 20.398 0.00 0.00 SOLV ATOM 20625 H2 TIP3 4877 -26.133 -9.897 19.475 0.00 0.00 SOLV ATOM 20626 OH2 TIP3 4878 12.688 -15.184 35.854 0.00 0.00 SOLV ATOM 20627 H1 TIP3 4878 12.051 -14.596 35.510 0.00 0.00 SOLV ATOM 20628 H2 TIP3 4878 12.621 -15.005 36.866 0.00 0.00 SOLV ATOM 20629 OH2 TIP3 4879 -6.099 -31.589 22.774 0.00 0.00 SOLV ATOM 20630 H1 TIP3 4879 -6.749 -31.851 23.426 0.00 0.00 SOLV ATOM 20631 H2 TIP3 4879 -6.212 -30.670 22.825 0.00 0.00 SOLV ATOM 20632 OH2 TIP3 4880 5.896 -32.522 47.693 0.00 0.00 SOLV ATOM 20633 H1 TIP3 4880 5.092 -32.541 48.278 0.00 0.00 SOLV ATOM 20634 H2 TIP3 4880 6.621 -32.837 48.222 0.00 0.00 SOLV ATOM 20635 OH2 TIP3 4881 -1.641 -26.384 51.960 0.00 0.00 SOLV ATOM 20636 H1 TIP3 4881 -2.146 -26.366 52.794 0.00 0.00 SOLV ATOM 20637 H2 TIP3 4881 -1.884 -27.293 51.545 0.00 0.00 SOLV ATOM 20638 OH2 TIP3 4882 -6.490 -35.294 12.977 0.00 0.00 SOLV ATOM 20639 H1 TIP3 4882 -6.238 -35.216 12.063 0.00 0.00 SOLV ATOM 20640 H2 TIP3 4882 -6.885 -36.218 13.024 0.00 0.00 SOLV ATOM 20641 OH2 TIP3 4883 15.403 2.368 16.868 0.00 0.00 SOLV ATOM 20642 H1 TIP3 4883 15.268 3.304 16.991 0.00 0.00 SOLV ATOM 20643 H2 TIP3 4883 16.126 2.208 17.505 0.00 0.00 SOLV ATOM 20644 OH2 TIP3 4884 8.228 -20.510 16.472 0.00 0.00 SOLV ATOM 20645 H1 TIP3 4884 8.763 -20.481 17.292 0.00 0.00 SOLV ATOM 20646 H2 TIP3 4884 7.356 -20.804 16.823 0.00 0.00 SOLV ATOM 20647 OH2 TIP3 4885 -0.944 -38.462 37.093 0.00 0.00 SOLV ATOM 20648 H1 TIP3 4885 -1.342 -39.140 37.555 0.00 0.00 SOLV ATOM 20649 H2 TIP3 4885 -1.392 -38.461 36.254 0.00 0.00 SOLV ATOM 20650 OH2 TIP3 4886 4.995 -18.948 50.806 0.00 0.00 SOLV ATOM 20651 H1 TIP3 4886 4.571 -19.326 49.991 0.00 0.00 SOLV ATOM 20652 H2 TIP3 4886 5.938 -19.028 50.515 0.00 0.00 SOLV ATOM 20653 OH2 TIP3 4887 -9.972 -11.970 48.401 0.00 0.00 SOLV ATOM 20654 H1 TIP3 4887 -10.158 -11.087 48.760 0.00 0.00 SOLV ATOM 20655 H2 TIP3 4887 -9.001 -11.946 48.262 0.00 0.00 SOLV ATOM 20656 OH2 TIP3 4888 18.503 -19.143 43.810 0.00 0.00 SOLV ATOM 20657 H1 TIP3 4888 19.195 -18.834 44.484 0.00 0.00 SOLV ATOM 20658 H2 TIP3 4888 17.647 -18.928 44.212 0.00 0.00 SOLV ATOM 20659 OH2 TIP3 4889 5.122 -16.282 50.868 0.00 0.00 SOLV ATOM 20660 H1 TIP3 4889 4.116 -16.256 50.876 0.00 0.00 SOLV ATOM 20661 H2 TIP3 4889 5.237 -17.177 50.551 0.00 0.00 SOLV ATOM 20662 OH2 TIP3 4890 15.457 -25.212 23.547 0.00 0.00 SOLV ATOM 20663 H1 TIP3 4890 15.930 -24.651 22.928 0.00 0.00 SOLV ATOM 20664 H2 TIP3 4890 16.122 -25.910 23.753 0.00 0.00 SOLV ATOM 20665 OH2 TIP3 4891 -3.478 -33.656 26.232 0.00 0.00 SOLV ATOM 20666 H1 TIP3 4891 -4.354 -33.268 26.475 0.00 0.00 SOLV ATOM 20667 H2 TIP3 4891 -3.796 -34.537 26.176 0.00 0.00 SOLV ATOM 20668 OH2 TIP3 4892 11.842 -28.518 20.830 0.00 0.00 SOLV ATOM 20669 H1 TIP3 4892 11.089 -27.938 20.899 0.00 0.00 SOLV ATOM 20670 H2 TIP3 4892 11.687 -29.074 21.562 0.00 0.00 SOLV ATOM 20671 OH2 TIP3 4893 14.013 -21.537 41.917 0.00 0.00 SOLV ATOM 20672 H1 TIP3 4893 14.155 -20.587 42.049 0.00 0.00 SOLV ATOM 20673 H2 TIP3 4893 13.497 -21.533 41.106 0.00 0.00 SOLV ATOM 20674 OH2 TIP3 4894 2.147 -23.574 44.771 0.00 0.00 SOLV ATOM 20675 H1 TIP3 4894 2.564 -24.455 44.551 0.00 0.00 SOLV ATOM 20676 H2 TIP3 4894 2.189 -23.114 43.924 0.00 0.00 SOLV ATOM 20677 OH2 TIP3 4895 4.104 -23.157 40.709 0.00 0.00 SOLV ATOM 20678 H1 TIP3 4895 4.210 -22.525 39.974 0.00 0.00 SOLV ATOM 20679 H2 TIP3 4895 3.270 -23.635 40.466 0.00 0.00 SOLV ATOM 20680 OH2 TIP3 4896 -3.628 -30.810 48.943 0.00 0.00 SOLV ATOM 20681 H1 TIP3 4896 -2.670 -31.119 48.830 0.00 0.00 SOLV ATOM 20682 H2 TIP3 4896 -3.897 -31.115 49.802 0.00 0.00 SOLV ATOM 20683 OH2 TIP3 4897 17.126 -22.243 44.779 0.00 0.00 SOLV ATOM 20684 H1 TIP3 4897 16.452 -22.775 45.279 0.00 0.00 SOLV ATOM 20685 H2 TIP3 4897 17.990 -22.751 44.861 0.00 0.00 SOLV ATOM 20686 OH2 TIP3 4898 12.101 -17.920 46.604 0.00 0.00 SOLV ATOM 20687 H1 TIP3 4898 12.538 -17.602 45.814 0.00 0.00 SOLV ATOM 20688 H2 TIP3 4898 11.817 -18.812 46.370 0.00 0.00 SOLV ATOM 20689 OH2 TIP3 4899 9.378 -22.575 49.306 0.00 0.00 SOLV ATOM 20690 H1 TIP3 4899 10.053 -23.135 49.683 0.00 0.00 SOLV ATOM 20691 H2 TIP3 4899 9.178 -22.989 48.392 0.00 0.00 SOLV ATOM 20692 OH2 TIP3 4900 -0.412 -3.125 51.080 0.00 0.00 SOLV ATOM 20693 H1 TIP3 4900 0.497 -3.471 51.119 0.00 0.00 SOLV ATOM 20694 H2 TIP3 4900 -0.406 -2.526 50.306 0.00 0.00 SOLV ATOM 20695 OH2 TIP3 4901 -21.956 -18.658 24.250 0.00 0.00 SOLV ATOM 20696 H1 TIP3 4901 -21.359 -18.102 24.769 0.00 0.00 SOLV ATOM 20697 H2 TIP3 4901 -22.331 -19.193 24.927 0.00 0.00 SOLV ATOM 20698 OH2 TIP3 4902 10.297 -19.639 28.216 0.00 0.00 SOLV ATOM 20699 H1 TIP3 4902 10.606 -20.184 29.011 0.00 0.00 SOLV ATOM 20700 H2 TIP3 4902 10.262 -20.337 27.546 0.00 0.00 SOLV ATOM 20701 OH2 TIP3 4903 14.144 -10.322 40.285 0.00 0.00 SOLV ATOM 20702 H1 TIP3 4903 13.726 -10.572 41.086 0.00 0.00 SOLV ATOM 20703 H2 TIP3 4903 14.653 -9.596 40.446 0.00 0.00 SOLV ATOM 20704 OH2 TIP3 4904 2.410 -27.098 50.620 0.00 0.00 SOLV ATOM 20705 H1 TIP3 4904 2.610 -26.148 50.879 0.00 0.00 SOLV ATOM 20706 H2 TIP3 4904 1.991 -27.365 51.432 0.00 0.00 SOLV ATOM 20707 OH2 TIP3 4905 -1.138 -29.601 33.231 0.00 0.00 SOLV ATOM 20708 H1 TIP3 4905 -1.968 -30.030 33.591 0.00 0.00 SOLV ATOM 20709 H2 TIP3 4905 -1.080 -28.828 33.848 0.00 0.00 SOLV ATOM 20710 OH2 TIP3 4906 7.142 -17.527 39.692 0.00 0.00 SOLV ATOM 20711 H1 TIP3 4906 6.507 -17.487 38.921 0.00 0.00 SOLV ATOM 20712 H2 TIP3 4906 7.543 -16.600 39.758 0.00 0.00 SOLV ATOM 20713 OH2 TIP3 4907 15.940 -20.503 47.171 0.00 0.00 SOLV ATOM 20714 H1 TIP3 4907 16.497 -21.215 47.581 0.00 0.00 SOLV ATOM 20715 H2 TIP3 4907 16.644 -19.779 47.153 0.00 0.00 SOLV ATOM 20716 OH2 TIP3 4908 -1.971 -10.407 50.486 0.00 0.00 SOLV ATOM 20717 H1 TIP3 4908 -1.408 -11.016 50.975 0.00 0.00 SOLV ATOM 20718 H2 TIP3 4908 -2.812 -10.473 51.035 0.00 0.00 SOLV ATOM 20719 OH2 TIP3 4909 -7.865 -17.978 56.168 0.00 0.00 SOLV ATOM 20720 H1 TIP3 4909 -8.857 -17.884 55.932 0.00 0.00 SOLV ATOM 20721 H2 TIP3 4909 -7.924 -18.434 56.950 0.00 0.00 SOLV ATOM 20722 OH2 TIP3 4910 -25.742 7.490 23.267 0.00 0.00 SOLV ATOM 20723 H1 TIP3 4910 -25.977 8.419 23.060 0.00 0.00 SOLV ATOM 20724 H2 TIP3 4910 -26.517 7.006 22.944 0.00 0.00 SOLV ATOM 20725 OH2 TIP3 4911 -9.272 -15.673 41.580 0.00 0.00 SOLV ATOM 20726 H1 TIP3 4911 -9.258 -14.975 40.935 0.00 0.00 SOLV ATOM 20727 H2 TIP3 4911 -9.611 -16.440 41.035 0.00 0.00 SOLV ATOM 20728 OH2 TIP3 4912 0.041 -8.580 50.401 0.00 0.00 SOLV ATOM 20729 H1 TIP3 4912 -0.053 -7.970 49.647 0.00 0.00 SOLV ATOM 20730 H2 TIP3 4912 -0.711 -9.145 50.304 0.00 0.00 SOLV ATOM 20731 OH2 TIP3 4913 5.298 -12.157 52.342 0.00 0.00 SOLV ATOM 20732 H1 TIP3 4913 4.401 -12.266 52.707 0.00 0.00 SOLV ATOM 20733 H2 TIP3 4913 5.424 -11.173 52.365 0.00 0.00 SOLV ATOM 20734 OH2 TIP3 4914 21.143 -2.677 25.802 0.00 0.00 SOLV ATOM 20735 H1 TIP3 4914 21.597 -3.273 25.155 0.00 0.00 SOLV ATOM 20736 H2 TIP3 4914 21.708 -1.859 25.854 0.00 0.00 SOLV ATOM 20737 OH2 TIP3 4915 3.851 -14.721 47.806 0.00 0.00 SOLV ATOM 20738 H1 TIP3 4915 3.459 -15.021 48.679 0.00 0.00 SOLV ATOM 20739 H2 TIP3 4915 3.960 -15.543 47.259 0.00 0.00 SOLV ATOM 20740 OH2 TIP3 4916 -16.461 -12.883 36.567 0.00 0.00 SOLV ATOM 20741 H1 TIP3 4916 -17.445 -12.763 36.453 0.00 0.00 SOLV ATOM 20742 H2 TIP3 4916 -16.182 -11.993 36.788 0.00 0.00 SOLV ATOM 20743 OH2 TIP3 4917 10.073 -0.541 45.212 0.00 0.00 SOLV ATOM 20744 H1 TIP3 4917 9.929 0.075 44.504 0.00 0.00 SOLV ATOM 20745 H2 TIP3 4917 9.448 -0.250 45.962 0.00 0.00 SOLV ATOM 20746 OH2 TIP3 4918 -19.925 -5.995 40.266 0.00 0.00 SOLV ATOM 20747 H1 TIP3 4918 -20.573 -5.402 40.660 0.00 0.00 SOLV ATOM 20748 H2 TIP3 4918 -20.351 -6.889 40.427 0.00 0.00 SOLV ATOM 20749 OH2 TIP3 4919 -3.488 -3.919 51.569 0.00 0.00 SOLV ATOM 20750 H1 TIP3 4919 -3.947 -3.910 52.387 0.00 0.00 SOLV ATOM 20751 H2 TIP3 4919 -3.462 -3.018 51.297 0.00 0.00 SOLV ATOM 20752 OH2 TIP3 4920 12.462 -5.167 45.077 0.00 0.00 SOLV ATOM 20753 H1 TIP3 4920 12.785 -4.280 45.271 0.00 0.00 SOLV ATOM 20754 H2 TIP3 4920 11.774 -5.223 45.781 0.00 0.00 SOLV ATOM 20755 OH2 TIP3 4921 19.012 7.046 25.087 0.00 0.00 SOLV ATOM 20756 H1 TIP3 4921 18.854 7.918 24.807 0.00 0.00 SOLV ATOM 20757 H2 TIP3 4921 18.585 6.893 25.910 0.00 0.00 SOLV ATOM 20758 OH2 TIP3 4922 -1.487 15.930 26.517 0.00 0.00 SOLV ATOM 20759 H1 TIP3 4922 -1.560 16.754 25.955 0.00 0.00 SOLV ATOM 20760 H2 TIP3 4922 -0.542 15.938 26.596 0.00 0.00 SOLV ATOM 20761 OH2 TIP3 4923 19.222 -10.898 7.890 0.00 0.00 SOLV ATOM 20762 H1 TIP3 4923 19.621 -10.175 7.288 0.00 0.00 SOLV ATOM 20763 H2 TIP3 4923 19.120 -11.596 7.243 0.00 0.00 SOLV ATOM 20764 OH2 TIP3 4924 -6.480 17.693 10.025 0.00 0.00 SOLV ATOM 20765 H1 TIP3 4924 -5.578 17.347 10.248 0.00 0.00 SOLV ATOM 20766 H2 TIP3 4924 -6.559 18.471 10.600 0.00 0.00 SOLV ATOM 20767 OH2 TIP3 4925 -10.377 2.017 29.046 0.00 0.00 SOLV ATOM 20768 H1 TIP3 4925 -9.408 2.155 28.834 0.00 0.00 SOLV ATOM 20769 H2 TIP3 4925 -10.335 1.341 29.798 0.00 0.00 SOLV ATOM 20770 OH2 TIP3 4926 18.111 -0.816 26.107 0.00 0.00 SOLV ATOM 20771 H1 TIP3 4926 17.534 -0.433 26.813 0.00 0.00 SOLV ATOM 20772 H2 TIP3 4926 18.981 -0.821 26.586 0.00 0.00 SOLV ATOM 20773 OH2 TIP3 4927 8.651 13.988 13.125 0.00 0.00 SOLV ATOM 20774 H1 TIP3 4927 7.858 13.437 12.835 0.00 0.00 SOLV ATOM 20775 H2 TIP3 4927 8.495 14.138 14.039 0.00 0.00 SOLV ATOM 20776 OH2 TIP3 4928 5.021 -16.421 42.070 0.00 0.00 SOLV ATOM 20777 H1 TIP3 4928 5.055 -16.652 43.017 0.00 0.00 SOLV ATOM 20778 H2 TIP3 4928 5.759 -15.822 41.930 0.00 0.00 SOLV ATOM 20779 OH2 TIP3 4929 -4.974 -2.994 42.323 0.00 0.00 SOLV ATOM 20780 H1 TIP3 4929 -5.629 -3.251 41.606 0.00 0.00 SOLV ATOM 20781 H2 TIP3 4929 -4.700 -3.759 42.900 0.00 0.00 SOLV ATOM 20782 OH2 TIP3 4930 7.501 -10.120 47.911 0.00 0.00 SOLV ATOM 20783 H1 TIP3 4930 7.874 -10.673 47.163 0.00 0.00 SOLV ATOM 20784 H2 TIP3 4930 7.443 -10.738 48.643 0.00 0.00 SOLV ATOM 20785 OH2 TIP3 4931 -20.107 6.760 32.978 0.00 0.00 SOLV ATOM 20786 H1 TIP3 4931 -20.885 6.093 33.000 0.00 0.00 SOLV ATOM 20787 H2 TIP3 4931 -19.494 6.278 32.397 0.00 0.00 SOLV ATOM 20788 OH2 TIP3 4932 14.241 -0.972 10.395 0.00 0.00 SOLV ATOM 20789 H1 TIP3 4932 14.713 -0.829 11.228 0.00 0.00 SOLV ATOM 20790 H2 TIP3 4932 14.860 -1.419 9.867 0.00 0.00 SOLV ATOM 20791 OH2 TIP3 4933 -8.332 13.983 32.412 0.00 0.00 SOLV ATOM 20792 H1 TIP3 4933 -8.101 13.666 33.319 0.00 0.00 SOLV ATOM 20793 H2 TIP3 4933 -9.136 14.535 32.635 0.00 0.00 SOLV ATOM 20794 OH2 TIP3 4934 -0.378 -11.255 48.076 0.00 0.00 SOLV ATOM 20795 H1 TIP3 4934 -1.060 -11.069 48.708 0.00 0.00 SOLV ATOM 20796 H2 TIP3 4934 -0.883 -11.716 47.289 0.00 0.00 SOLV ATOM 20797 OH2 TIP3 4935 -9.522 -0.756 36.189 0.00 0.00 SOLV ATOM 20798 H1 TIP3 4935 -8.568 -0.890 35.840 0.00 0.00 SOLV ATOM 20799 H2 TIP3 4935 -9.958 -1.542 35.785 0.00 0.00 SOLV ATOM 20800 OH2 TIP3 4936 14.258 -12.503 7.641 0.00 0.00 SOLV ATOM 20801 H1 TIP3 4936 13.860 -12.750 8.500 0.00 0.00 SOLV ATOM 20802 H2 TIP3 4936 15.178 -12.474 7.875 0.00 0.00 SOLV ATOM 20803 OH2 TIP3 4937 1.865 16.291 20.742 0.00 0.00 SOLV ATOM 20804 H1 TIP3 4937 1.175 16.735 21.247 0.00 0.00 SOLV ATOM 20805 H2 TIP3 4937 1.856 16.818 19.948 0.00 0.00 SOLV ATOM 20806 OH2 TIP3 4938 -16.774 0.715 33.721 0.00 0.00 SOLV ATOM 20807 H1 TIP3 4938 -16.680 1.669 33.874 0.00 0.00 SOLV ATOM 20808 H2 TIP3 4938 -15.927 0.370 34.080 0.00 0.00 SOLV ATOM 20809 OH2 TIP3 4939 -0.475 -13.023 51.391 0.00 0.00 SOLV ATOM 20810 H1 TIP3 4939 -0.986 -13.789 51.067 0.00 0.00 SOLV ATOM 20811 H2 TIP3 4939 0.147 -13.480 51.920 0.00 0.00 SOLV ATOM 20812 OH2 TIP3 4940 3.254 1.726 42.779 0.00 0.00 SOLV ATOM 20813 H1 TIP3 4940 3.190 2.103 43.678 0.00 0.00 SOLV ATOM 20814 H2 TIP3 4940 4.197 1.674 42.710 0.00 0.00 SOLV ATOM 20815 OH2 TIP3 4941 9.227 1.648 40.413 0.00 0.00 SOLV ATOM 20816 H1 TIP3 4941 9.157 2.451 39.929 0.00 0.00 SOLV ATOM 20817 H2 TIP3 4941 9.310 0.956 39.663 0.00 0.00 SOLV ATOM 20818 OH2 TIP3 4942 3.402 5.696 -6.641 0.00 0.00 SOLV ATOM 20819 H1 TIP3 4942 2.564 5.913 -6.160 0.00 0.00 SOLV ATOM 20820 H2 TIP3 4942 3.497 4.704 -6.399 0.00 0.00 SOLV ATOM 20821 OH2 TIP3 4943 -19.857 14.880 24.138 0.00 0.00 SOLV ATOM 20822 H1 TIP3 4943 -19.444 15.724 24.063 0.00 0.00 SOLV ATOM 20823 H2 TIP3 4943 -20.605 15.051 24.742 0.00 0.00 SOLV ATOM 20824 OH2 TIP3 4944 -19.938 -30.266 17.370 0.00 0.00 SOLV ATOM 20825 H1 TIP3 4944 -20.399 -29.409 17.277 0.00 0.00 SOLV ATOM 20826 H2 TIP3 4944 -19.137 -30.080 16.868 0.00 0.00 SOLV ATOM 20827 OH2 TIP3 4945 -4.959 12.957 28.547 0.00 0.00 SOLV ATOM 20828 H1 TIP3 4945 -4.313 13.041 29.277 0.00 0.00 SOLV ATOM 20829 H2 TIP3 4945 -4.883 13.796 28.095 0.00 0.00 SOLV ATOM 20830 OH2 TIP3 4946 -11.431 -8.847 40.008 0.00 0.00 SOLV ATOM 20831 H1 TIP3 4946 -10.500 -9.145 39.790 0.00 0.00 SOLV ATOM 20832 H2 TIP3 4946 -11.716 -9.583 40.536 0.00 0.00 SOLV ATOM 20833 OH2 TIP3 4947 -0.234 0.804 46.896 0.00 0.00 SOLV ATOM 20834 H1 TIP3 4947 -0.130 0.712 45.883 0.00 0.00 SOLV ATOM 20835 H2 TIP3 4947 -1.097 1.225 46.998 0.00 0.00 SOLV ATOM 20836 OH2 TIP3 4948 8.649 4.798 47.382 0.00 0.00 SOLV ATOM 20837 H1 TIP3 4948 9.428 4.186 47.290 0.00 0.00 SOLV ATOM 20838 H2 TIP3 4948 8.554 5.282 46.609 0.00 0.00 SOLV ATOM 20839 OH2 TIP3 4949 13.061 13.792 28.442 0.00 0.00 SOLV ATOM 20840 H1 TIP3 4949 13.786 13.249 28.098 0.00 0.00 SOLV ATOM 20841 H2 TIP3 4949 12.830 13.493 29.281 0.00 0.00 SOLV ATOM 20842 OH2 TIP3 4950 -3.992 12.762 25.648 0.00 0.00 SOLV ATOM 20843 H1 TIP3 4950 -3.298 12.432 26.326 0.00 0.00 SOLV ATOM 20844 H2 TIP3 4950 -4.085 13.736 25.731 0.00 0.00 SOLV ATOM 20845 OH2 TIP3 4951 -2.640 4.241 40.926 0.00 0.00 SOLV ATOM 20846 H1 TIP3 4951 -3.492 4.698 40.840 0.00 0.00 SOLV ATOM 20847 H2 TIP3 4951 -2.238 4.600 41.670 0.00 0.00 SOLV ATOM 20848 OH2 TIP3 4952 6.561 -2.241 49.065 0.00 0.00 SOLV ATOM 20849 H1 TIP3 4952 6.714 -3.226 49.179 0.00 0.00 SOLV ATOM 20850 H2 TIP3 4952 5.574 -2.225 49.102 0.00 0.00 SOLV ATOM 20851 OH2 TIP3 4953 20.552 1.264 24.525 0.00 0.00 SOLV ATOM 20852 H1 TIP3 4953 21.185 0.887 25.161 0.00 0.00 SOLV ATOM 20853 H2 TIP3 4953 20.307 0.667 23.921 0.00 0.00 SOLV ATOM 20854 OH2 TIP3 4954 22.892 12.763 -26.450 0.00 0.00 SOLV ATOM 20855 H1 TIP3 4954 23.602 12.880 -25.826 0.00 0.00 SOLV ATOM 20856 H2 TIP3 4954 22.543 13.640 -26.609 0.00 0.00 SOLV ATOM 20857 OH2 TIP3 4955 9.522 -39.044 19.421 0.00 0.00 SOLV ATOM 20858 H1 TIP3 4955 9.563 -38.338 18.677 0.00 0.00 SOLV ATOM 20859 H2 TIP3 4955 10.304 -39.541 19.161 0.00 0.00 SOLV ATOM 20860 OH2 TIP3 4956 -4.051 -39.849 19.990 0.00 0.00 SOLV ATOM 20861 H1 TIP3 4956 -3.549 -39.866 19.156 0.00 0.00 SOLV ATOM 20862 H2 TIP3 4956 -4.562 -40.693 19.909 0.00 0.00 SOLV ATOM 20863 OH2 TIP3 4957 -8.227 -46.741 20.057 0.00 0.00 SOLV ATOM 20864 H1 TIP3 4957 -8.207 -47.533 20.628 0.00 0.00 SOLV ATOM 20865 H2 TIP3 4957 -8.895 -46.987 19.411 0.00 0.00 SOLV ATOM 20866 OH2 TIP3 4958 -4.489 -39.540 34.013 0.00 0.00 SOLV ATOM 20867 H1 TIP3 4958 -3.686 -39.950 33.728 0.00 0.00 SOLV ATOM 20868 H2 TIP3 4958 -4.390 -38.592 33.646 0.00 0.00 SOLV ATOM 20869 OH2 TIP3 4959 4.019 25.517 -27.394 0.00 0.00 SOLV ATOM 20870 H1 TIP3 4959 4.157 25.572 -28.326 0.00 0.00 SOLV ATOM 20871 H2 TIP3 4959 3.377 24.860 -27.263 0.00 0.00 SOLV ATOM 20872 OH2 TIP3 4960 -7.493 13.533 29.892 0.00 0.00 SOLV ATOM 20873 H1 TIP3 4960 -7.707 13.528 30.847 0.00 0.00 SOLV ATOM 20874 H2 TIP3 4960 -6.528 13.347 29.935 0.00 0.00 SOLV ATOM 20875 OH2 TIP3 4961 10.224 1.633 42.917 0.00 0.00 SOLV ATOM 20876 H1 TIP3 4961 10.634 0.723 42.868 0.00 0.00 SOLV ATOM 20877 H2 TIP3 4961 9.756 1.667 42.097 0.00 0.00 SOLV ATOM 20878 OH2 TIP3 4962 7.232 16.156 35.089 0.00 0.00 SOLV ATOM 20879 H1 TIP3 4962 8.113 16.049 34.631 0.00 0.00 SOLV ATOM 20880 H2 TIP3 4962 7.245 15.346 35.597 0.00 0.00 SOLV ATOM 20881 OH2 TIP3 4963 4.474 -30.958 20.041 0.00 0.00 SOLV ATOM 20882 H1 TIP3 4963 4.337 -30.457 20.945 0.00 0.00 SOLV ATOM 20883 H2 TIP3 4963 3.901 -31.802 20.076 0.00 0.00 SOLV ATOM 20884 OH2 TIP3 4964 17.041 17.248 16.549 0.00 0.00 SOLV ATOM 20885 H1 TIP3 4964 16.302 16.658 16.446 0.00 0.00 SOLV ATOM 20886 H2 TIP3 4964 16.646 18.076 16.944 0.00 0.00 SOLV ATOM 20887 OH2 TIP3 4965 -17.281 2.260 24.100 0.00 0.00 SOLV ATOM 20888 H1 TIP3 4965 -16.468 2.709 24.437 0.00 0.00 SOLV ATOM 20889 H2 TIP3 4965 -17.792 1.957 24.858 0.00 0.00 SOLV ATOM 20890 OH2 TIP3 4966 4.484 -3.220 43.789 0.00 0.00 SOLV ATOM 20891 H1 TIP3 4966 4.218 -2.838 42.932 0.00 0.00 SOLV ATOM 20892 H2 TIP3 4966 5.339 -3.577 43.629 0.00 0.00 SOLV ATOM 20893 OH2 TIP3 4967 -4.099 10.019 25.051 0.00 0.00 SOLV ATOM 20894 H1 TIP3 4967 -4.823 9.541 25.579 0.00 0.00 SOLV ATOM 20895 H2 TIP3 4967 -4.160 10.932 25.297 0.00 0.00 SOLV ATOM 20896 OH2 TIP3 4968 -2.362 7.249 44.440 0.00 0.00 SOLV ATOM 20897 H1 TIP3 4968 -2.205 7.105 43.467 0.00 0.00 SOLV ATOM 20898 H2 TIP3 4968 -2.578 8.237 44.558 0.00 0.00 SOLV ATOM 20899 OH2 TIP3 4969 -4.141 5.495 45.486 0.00 0.00 SOLV ATOM 20900 H1 TIP3 4969 -3.631 6.179 44.983 0.00 0.00 SOLV ATOM 20901 H2 TIP3 4969 -3.694 4.694 45.140 0.00 0.00 SOLV ATOM 20902 OH2 TIP3 4970 9.546 -34.458 15.598 0.00 0.00 SOLV ATOM 20903 H1 TIP3 4970 8.814 -35.079 15.792 0.00 0.00 SOLV ATOM 20904 H2 TIP3 4970 9.747 -34.525 14.677 0.00 0.00 SOLV ATOM 20905 OH2 TIP3 4971 -3.489 -40.193 29.551 0.00 0.00 SOLV ATOM 20906 H1 TIP3 4971 -2.657 -39.683 29.396 0.00 0.00 SOLV ATOM 20907 H2 TIP3 4971 -4.114 -39.520 29.287 0.00 0.00 SOLV ATOM 20908 OH2 TIP3 4972 -0.768 -41.615 30.134 0.00 0.00 SOLV ATOM 20909 H1 TIP3 4972 -0.852 -40.938 29.467 0.00 0.00 SOLV ATOM 20910 H2 TIP3 4972 -1.305 -41.161 30.847 0.00 0.00 SOLV ATOM 20911 OH2 TIP3 4973 9.271 -2.818 -6.930 0.00 0.00 SOLV ATOM 20912 H1 TIP3 4973 8.788 -1.964 -7.058 0.00 0.00 SOLV ATOM 20913 H2 TIP3 4973 10.139 -2.673 -7.248 0.00 0.00 SOLV ATOM 20914 OH2 TIP3 4974 -11.711 -45.850 16.720 0.00 0.00 SOLV ATOM 20915 H1 TIP3 4974 -11.050 -45.210 16.350 0.00 0.00 SOLV ATOM 20916 H2 TIP3 4974 -12.239 -46.105 15.941 0.00 0.00 SOLV ATOM 20917 OH2 TIP3 4975 2.694 13.121 43.946 0.00 0.00 SOLV ATOM 20918 H1 TIP3 4975 2.865 12.192 43.667 0.00 0.00 SOLV ATOM 20919 H2 TIP3 4975 1.939 13.399 43.375 0.00 0.00 SOLV ATOM 20920 OH2 TIP3 4976 -7.097 11.964 26.978 0.00 0.00 SOLV ATOM 20921 H1 TIP3 4976 -6.796 11.071 26.689 0.00 0.00 SOLV ATOM 20922 H2 TIP3 4976 -6.439 12.266 27.596 0.00 0.00 SOLV ATOM 20923 OH2 TIP3 4977 -10.327 -37.999 10.920 0.00 0.00 SOLV ATOM 20924 H1 TIP3 4977 -10.555 -38.896 11.327 0.00 0.00 SOLV ATOM 20925 H2 TIP3 4977 -11.050 -37.827 10.247 0.00 0.00 SOLV ATOM 20926 OH2 TIP3 4978 -21.552 -15.665 22.801 0.00 0.00 SOLV ATOM 20927 H1 TIP3 4978 -21.185 -15.945 23.611 0.00 0.00 SOLV ATOM 20928 H2 TIP3 4978 -20.834 -15.627 22.146 0.00 0.00 SOLV ATOM 20929 OH2 TIP3 4979 14.806 10.830 37.220 0.00 0.00 SOLV ATOM 20930 H1 TIP3 4979 14.840 11.823 37.456 0.00 0.00 SOLV ATOM 20931 H2 TIP3 4979 15.553 10.710 36.667 0.00 0.00 SOLV ATOM 20932 OH2 TIP3 4980 14.647 -29.948 30.336 0.00 0.00 SOLV ATOM 20933 H1 TIP3 4980 15.194 -29.495 30.999 0.00 0.00 SOLV ATOM 20934 H2 TIP3 4980 13.858 -30.303 30.816 0.00 0.00 SOLV ATOM 20935 OH2 TIP3 4981 9.331 -32.753 32.938 0.00 0.00 SOLV ATOM 20936 H1 TIP3 4981 8.890 -33.146 33.736 0.00 0.00 SOLV ATOM 20937 H2 TIP3 4981 8.592 -32.711 32.294 0.00 0.00 SOLV ATOM 20938 OH2 TIP3 4982 10.656 12.670 32.262 0.00 0.00 SOLV ATOM 20939 H1 TIP3 4982 9.729 12.664 32.278 0.00 0.00 SOLV ATOM 20940 H2 TIP3 4982 10.922 11.746 32.569 0.00 0.00 SOLV ATOM 20941 OH2 TIP3 4983 2.941 9.345 45.943 0.00 0.00 SOLV ATOM 20942 H1 TIP3 4983 3.251 9.645 46.813 0.00 0.00 SOLV ATOM 20943 H2 TIP3 4983 3.369 8.514 45.792 0.00 0.00 SOLV ATOM 20944 OH2 TIP3 4984 1.242 -41.553 19.847 0.00 0.00 SOLV ATOM 20945 H1 TIP3 4984 1.771 -40.883 19.278 0.00 0.00 SOLV ATOM 20946 H2 TIP3 4984 1.392 -41.324 20.814 0.00 0.00 SOLV ATOM 20947 OH2 TIP3 4985 -2.558 -43.018 11.209 0.00 0.00 SOLV ATOM 20948 H1 TIP3 4985 -2.490 -43.805 11.800 0.00 0.00 SOLV ATOM 20949 H2 TIP3 4985 -1.616 -43.022 10.913 0.00 0.00 SOLV ATOM 20950 OH2 TIP3 4986 -2.127 14.179 44.651 0.00 0.00 SOLV ATOM 20951 H1 TIP3 4986 -2.199 14.616 43.752 0.00 0.00 SOLV ATOM 20952 H2 TIP3 4986 -1.152 14.125 44.889 0.00 0.00 SOLV ATOM 20953 OH2 TIP3 4987 5.932 -21.380 17.744 0.00 0.00 SOLV ATOM 20954 H1 TIP3 4987 5.456 -20.782 18.355 0.00 0.00 SOLV ATOM 20955 H2 TIP3 4987 6.513 -21.892 18.339 0.00 0.00 SOLV ATOM 20956 OH2 TIP3 4988 -1.162 -30.991 42.951 0.00 0.00 SOLV ATOM 20957 H1 TIP3 4988 -1.582 -30.066 43.002 0.00 0.00 SOLV ATOM 20958 H2 TIP3 4988 -0.475 -30.878 42.324 0.00 0.00 SOLV ATOM 20959 OH2 TIP3 4989 -15.765 -22.036 14.768 0.00 0.00 SOLV ATOM 20960 H1 TIP3 4989 -15.962 -22.965 14.852 0.00 0.00 SOLV ATOM 20961 H2 TIP3 4989 -15.435 -21.922 13.875 0.00 0.00 SOLV ATOM 20962 OH2 TIP3 4990 -7.606 -33.692 47.342 0.00 0.00 SOLV ATOM 20963 H1 TIP3 4990 -6.859 -33.833 47.942 0.00 0.00 SOLV ATOM 20964 H2 TIP3 4990 -8.144 -34.481 47.481 0.00 0.00 SOLV ATOM 20965 OH2 TIP3 4991 7.520 -43.274 18.936 0.00 0.00 SOLV ATOM 20966 H1 TIP3 4991 7.791 -42.356 19.363 0.00 0.00 SOLV ATOM 20967 H2 TIP3 4991 6.582 -43.424 19.127 0.00 0.00 SOLV ATOM 20968 OH2 TIP3 4992 2.280 -39.586 22.041 0.00 0.00 SOLV ATOM 20969 H1 TIP3 4992 2.000 -39.168 22.835 0.00 0.00 SOLV ATOM 20970 H2 TIP3 4992 3.048 -39.078 21.816 0.00 0.00 SOLV ATOM 20971 OH2 TIP3 4993 -1.886 -39.058 23.506 0.00 0.00 SOLV ATOM 20972 H1 TIP3 4993 -2.667 -39.698 23.705 0.00 0.00 SOLV ATOM 20973 H2 TIP3 4993 -1.208 -39.607 23.909 0.00 0.00 SOLV ATOM 20974 OH2 TIP3 4994 5.566 15.842 32.808 0.00 0.00 SOLV ATOM 20975 H1 TIP3 4994 4.895 15.317 33.211 0.00 0.00 SOLV ATOM 20976 H2 TIP3 4994 6.123 16.069 33.631 0.00 0.00 SOLV ATOM 20977 OH2 TIP3 4995 9.418 -6.368 12.172 0.00 0.00 SOLV ATOM 20978 H1 TIP3 4995 8.911 -7.092 11.815 0.00 0.00 SOLV ATOM 20979 H2 TIP3 4995 9.797 -5.906 11.417 0.00 0.00 SOLV ATOM 20980 OH2 TIP3 4996 -13.670 -20.391 41.061 0.00 0.00 SOLV ATOM 20981 H1 TIP3 4996 -13.775 -19.861 41.852 0.00 0.00 SOLV ATOM 20982 H2 TIP3 4996 -13.182 -19.834 40.405 0.00 0.00 SOLV ATOM 20983 OH2 TIP3 4997 3.820 -19.712 42.821 0.00 0.00 SOLV ATOM 20984 H1 TIP3 4997 2.913 -19.909 42.441 0.00 0.00 SOLV ATOM 20985 H2 TIP3 4997 3.560 -19.281 43.642 0.00 0.00 SOLV ATOM 20986 OH2 TIP3 4998 -7.764 -35.081 16.549 0.00 0.00 SOLV ATOM 20987 H1 TIP3 4998 -6.831 -34.900 16.315 0.00 0.00 SOLV ATOM 20988 H2 TIP3 4998 -7.696 -35.892 17.013 0.00 0.00 SOLV ATOM 20989 OH2 TIP3 4999 -2.290 -40.190 17.944 0.00 0.00 SOLV ATOM 20990 H1 TIP3 4999 -1.715 -39.435 17.997 0.00 0.00 SOLV ATOM 20991 H2 TIP3 4999 -1.751 -40.946 17.843 0.00 0.00 SOLV ATOM 20992 OH2 TIP3 5000 -15.539 -29.890 13.810 0.00 0.00 SOLV ATOM 20993 H1 TIP3 5000 -15.749 -30.010 12.905 0.00 0.00 SOLV ATOM 20994 H2 TIP3 5000 -16.153 -29.184 14.154 0.00 0.00 SOLV ATOM 20995 OH2 TIP3 5001 -3.760 -33.462 8.205 0.00 0.00 SOLV ATOM 20996 H1 TIP3 5001 -4.184 -33.495 7.358 0.00 0.00 SOLV ATOM 20997 H2 TIP3 5001 -3.700 -32.445 8.414 0.00 0.00 SOLV ATOM 20998 OH2 TIP3 5002 7.621 -26.653 22.925 0.00 0.00 SOLV ATOM 20999 H1 TIP3 5002 7.625 -26.718 23.863 0.00 0.00 SOLV ATOM 21000 H2 TIP3 5002 6.695 -26.470 22.678 0.00 0.00 SOLV ATOM 21001 OH2 TIP3 5003 -7.126 -39.066 31.401 0.00 0.00 SOLV ATOM 21002 H1 TIP3 5003 -6.534 -38.322 31.670 0.00 0.00 SOLV ATOM 21003 H2 TIP3 5003 -6.812 -39.361 30.565 0.00 0.00 SOLV ATOM 21004 OH2 TIP3 5004 2.604 -33.742 35.028 0.00 0.00 SOLV ATOM 21005 H1 TIP3 5004 1.947 -33.926 34.322 0.00 0.00 SOLV ATOM 21006 H2 TIP3 5004 2.869 -34.641 35.409 0.00 0.00 SOLV ATOM 21007 OH2 TIP3 5005 9.706 -33.539 43.539 0.00 0.00 SOLV ATOM 21008 H1 TIP3 5005 10.430 -34.012 44.001 0.00 0.00 SOLV ATOM 21009 H2 TIP3 5005 9.076 -34.268 43.502 0.00 0.00 SOLV ATOM 21010 OH2 TIP3 5006 -2.367 -19.772 53.067 0.00 0.00 SOLV ATOM 21011 H1 TIP3 5006 -1.446 -19.958 53.250 0.00 0.00 SOLV ATOM 21012 H2 TIP3 5006 -2.880 -19.954 53.858 0.00 0.00 SOLV ATOM 21013 OH2 TIP3 5007 10.892 -25.437 10.502 0.00 0.00 SOLV ATOM 21014 H1 TIP3 5007 9.960 -25.350 10.230 0.00 0.00 SOLV ATOM 21015 H2 TIP3 5007 10.896 -25.177 11.470 0.00 0.00 SOLV ATOM 21016 OH2 TIP3 5008 9.359 -29.055 8.709 0.00 0.00 SOLV ATOM 21017 H1 TIP3 5008 10.319 -28.879 8.650 0.00 0.00 SOLV ATOM 21018 H2 TIP3 5008 9.195 -29.855 8.189 0.00 0.00 SOLV ATOM 21019 OH2 TIP3 5009 0.254 -32.874 15.290 0.00 0.00 SOLV ATOM 21020 H1 TIP3 5009 0.460 -32.383 16.052 0.00 0.00 SOLV ATOM 21021 H2 TIP3 5009 -0.483 -33.448 15.595 0.00 0.00 SOLV ATOM 21022 OH2 TIP3 5010 5.085 -39.921 28.782 0.00 0.00 SOLV ATOM 21023 H1 TIP3 5010 4.268 -39.699 28.365 0.00 0.00 SOLV ATOM 21024 H2 TIP3 5010 5.860 -39.603 28.223 0.00 0.00 SOLV ATOM 21025 OH2 TIP3 5011 7.358 -29.946 29.931 0.00 0.00 SOLV ATOM 21026 H1 TIP3 5011 7.100 -30.182 30.853 0.00 0.00 SOLV ATOM 21027 H2 TIP3 5011 7.815 -29.075 30.051 0.00 0.00 SOLV ATOM 21028 OH2 TIP3 5012 7.960 -36.353 28.656 0.00 0.00 SOLV ATOM 21029 H1 TIP3 5012 8.550 -36.863 29.163 0.00 0.00 SOLV ATOM 21030 H2 TIP3 5012 7.585 -37.075 28.131 0.00 0.00 SOLV ATOM 21031 OH2 TIP3 5013 11.179 -12.988 26.090 0.00 0.00 SOLV ATOM 21032 H1 TIP3 5013 11.242 -13.922 26.410 0.00 0.00 SOLV ATOM 21033 H2 TIP3 5013 12.061 -12.806 25.725 0.00 0.00 SOLV ATOM 21034 OH2 TIP3 5014 5.927 -20.752 41.141 0.00 0.00 SOLV ATOM 21035 H1 TIP3 5014 5.535 -20.748 41.980 0.00 0.00 SOLV ATOM 21036 H2 TIP3 5014 5.389 -20.056 40.668 0.00 0.00 SOLV ATOM 21037 OH2 TIP3 5015 5.734 -23.441 21.530 0.00 0.00 SOLV ATOM 21038 H1 TIP3 5015 5.468 -22.808 22.151 0.00 0.00 SOLV ATOM 21039 H2 TIP3 5015 5.583 -24.262 22.063 0.00 0.00 SOLV ATOM 21040 OH2 TIP3 5016 -4.483 -27.161 52.320 0.00 0.00 SOLV ATOM 21041 H1 TIP3 5016 -4.793 -27.559 51.517 0.00 0.00 SOLV ATOM 21042 H2 TIP3 5016 -4.024 -27.953 52.635 0.00 0.00 SOLV ATOM 21043 OH2 TIP3 5017 4.707 -35.823 11.370 0.00 0.00 SOLV ATOM 21044 H1 TIP3 5017 5.469 -35.252 10.964 0.00 0.00 SOLV ATOM 21045 H2 TIP3 5017 4.131 -36.008 10.630 0.00 0.00 SOLV ATOM 21046 OH2 TIP3 5018 7.190 -33.673 30.554 0.00 0.00 SOLV ATOM 21047 H1 TIP3 5018 6.598 -34.391 30.195 0.00 0.00 SOLV ATOM 21048 H2 TIP3 5018 6.655 -33.111 31.101 0.00 0.00 SOLV ATOM 21049 OH2 TIP3 5019 7.554 -25.658 18.228 0.00 0.00 SOLV ATOM 21050 H1 TIP3 5019 7.168 -26.496 18.244 0.00 0.00 SOLV ATOM 21051 H2 TIP3 5019 6.873 -25.098 18.601 0.00 0.00 SOLV ATOM 21052 OH2 TIP3 5020 10.149 -28.154 42.491 0.00 0.00 SOLV ATOM 21053 H1 TIP3 5020 9.345 -27.608 42.451 0.00 0.00 SOLV ATOM 21054 H2 TIP3 5020 9.840 -28.974 42.049 0.00 0.00 SOLV ATOM 21055 OH2 TIP3 5021 4.757 -33.973 38.820 0.00 0.00 SOLV ATOM 21056 H1 TIP3 5021 3.926 -33.812 38.398 0.00 0.00 SOLV ATOM 21057 H2 TIP3 5021 5.316 -33.282 38.411 0.00 0.00 SOLV ATOM 21058 OH2 TIP3 5022 2.325 -38.766 36.216 0.00 0.00 SOLV ATOM 21059 H1 TIP3 5022 2.220 -38.403 35.327 0.00 0.00 SOLV ATOM 21060 H2 TIP3 5022 2.655 -39.671 36.131 0.00 0.00 SOLV ATOM 21061 OH2 TIP3 5023 -6.883 -44.216 19.739 0.00 0.00 SOLV ATOM 21062 H1 TIP3 5023 -7.462 -44.951 19.754 0.00 0.00 SOLV ATOM 21063 H2 TIP3 5023 -6.034 -44.599 20.008 0.00 0.00 SOLV ATOM 21064 OH2 TIP3 5024 2.664 -18.624 44.965 0.00 0.00 SOLV ATOM 21065 H1 TIP3 5024 2.454 -17.716 44.734 0.00 0.00 SOLV ATOM 21066 H2 TIP3 5024 1.808 -18.934 45.380 0.00 0.00 SOLV ATOM 21067 OH2 TIP3 5025 -11.755 -11.668 38.681 0.00 0.00 SOLV ATOM 21068 H1 TIP3 5025 -12.174 -11.502 39.564 0.00 0.00 SOLV ATOM 21069 H2 TIP3 5025 -10.939 -11.118 38.754 0.00 0.00 SOLV ATOM 21070 OH2 TIP3 5026 -0.560 -36.584 8.223 0.00 0.00 SOLV ATOM 21071 H1 TIP3 5026 -1.223 -36.785 8.872 0.00 0.00 SOLV ATOM 21072 H2 TIP3 5026 -0.722 -35.624 8.094 0.00 0.00 SOLV ATOM 21073 OH2 TIP3 5027 -4.409 -35.427 22.767 0.00 0.00 SOLV ATOM 21074 H1 TIP3 5027 -4.217 -34.653 23.237 0.00 0.00 SOLV ATOM 21075 H2 TIP3 5027 -3.887 -35.338 21.966 0.00 0.00 SOLV ATOM 21076 OH2 TIP3 5028 -3.532 -7.936 21.770 0.00 0.00 SOLV ATOM 21077 H1 TIP3 5028 -4.297 -8.539 21.874 0.00 0.00 SOLV ATOM 21078 H2 TIP3 5028 -3.188 -8.236 20.913 0.00 0.00 SOLV ATOM 21079 OH2 TIP3 5029 -0.284 -32.638 30.560 0.00 0.00 SOLV ATOM 21080 H1 TIP3 5029 -0.894 -32.082 29.966 0.00 0.00 SOLV ATOM 21081 H2 TIP3 5029 0.618 -32.228 30.411 0.00 0.00 SOLV ATOM 21082 OH2 TIP3 5030 6.871 -29.139 15.959 0.00 0.00 SOLV ATOM 21083 H1 TIP3 5030 7.280 -30.046 15.990 0.00 0.00 SOLV ATOM 21084 H2 TIP3 5030 6.040 -29.291 15.496 0.00 0.00 SOLV ATOM 21085 OH2 TIP3 5031 5.702 -34.587 25.093 0.00 0.00 SOLV ATOM 21086 H1 TIP3 5031 6.452 -34.348 25.642 0.00 0.00 SOLV ATOM 21087 H2 TIP3 5031 5.037 -33.867 25.324 0.00 0.00 SOLV ATOM 21088 OH2 TIP3 5032 -18.287 3.405 28.650 0.00 0.00 SOLV ATOM 21089 H1 TIP3 5032 -17.986 2.646 28.248 0.00 0.00 SOLV ATOM 21090 H2 TIP3 5032 -18.001 4.037 27.989 0.00 0.00 SOLV ATOM 21091 OH2 TIP3 5033 1.004 -34.084 32.500 0.00 0.00 SOLV ATOM 21092 H1 TIP3 5033 1.800 -34.463 32.144 0.00 0.00 SOLV ATOM 21093 H2 TIP3 5033 0.451 -33.798 31.757 0.00 0.00 SOLV ATOM 21094 OH2 TIP3 5034 14.302 -34.313 32.218 0.00 0.00 SOLV ATOM 21095 H1 TIP3 5034 14.614 -35.067 31.784 0.00 0.00 SOLV ATOM 21096 H2 TIP3 5034 13.387 -34.223 31.891 0.00 0.00 SOLV ATOM 21097 OH2 TIP3 5035 -6.924 -33.182 44.634 0.00 0.00 SOLV ATOM 21098 H1 TIP3 5035 -7.283 -33.418 45.456 0.00 0.00 SOLV ATOM 21099 H2 TIP3 5035 -5.983 -33.453 44.642 0.00 0.00 SOLV ATOM 21100 OH2 TIP3 5036 6.763 -27.707 48.996 0.00 0.00 SOLV ATOM 21101 H1 TIP3 5036 6.591 -28.116 49.879 0.00 0.00 SOLV ATOM 21102 H2 TIP3 5036 6.751 -28.520 48.405 0.00 0.00 SOLV ATOM 21103 OH2 TIP3 5037 -1.600 -34.595 11.079 0.00 0.00 SOLV ATOM 21104 H1 TIP3 5037 -1.202 -33.693 11.244 0.00 0.00 SOLV ATOM 21105 H2 TIP3 5037 -0.922 -35.099 11.523 0.00 0.00 SOLV ATOM 21106 OH2 TIP3 5038 11.540 -30.532 38.003 0.00 0.00 SOLV ATOM 21107 H1 TIP3 5038 11.673 -31.197 37.272 0.00 0.00 SOLV ATOM 21108 H2 TIP3 5038 12.256 -29.878 37.842 0.00 0.00 SOLV ATOM 21109 OH2 TIP3 5039 1.303 -12.361 44.276 0.00 0.00 SOLV ATOM 21110 H1 TIP3 5039 2.027 -12.925 44.117 0.00 0.00 SOLV ATOM 21111 H2 TIP3 5039 1.428 -12.259 45.215 0.00 0.00 SOLV ATOM 21112 OH2 TIP3 5040 14.284 -15.898 22.446 0.00 0.00 SOLV ATOM 21113 H1 TIP3 5040 14.242 -16.676 23.059 0.00 0.00 SOLV ATOM 21114 H2 TIP3 5040 14.966 -16.163 21.771 0.00 0.00 SOLV ATOM 21115 OH2 TIP3 5041 -7.076 -14.216 51.779 0.00 0.00 SOLV ATOM 21116 H1 TIP3 5041 -8.029 -14.134 51.496 0.00 0.00 SOLV ATOM 21117 H2 TIP3 5041 -7.180 -14.914 52.487 0.00 0.00 SOLV ATOM 21118 OH2 TIP3 5042 -0.221 -35.168 23.182 0.00 0.00 SOLV ATOM 21119 H1 TIP3 5042 0.529 -35.741 23.194 0.00 0.00 SOLV ATOM 21120 H2 TIP3 5042 -0.880 -35.622 23.677 0.00 0.00 SOLV ATOM 21121 OH2 TIP3 5043 0.813 -37.548 14.636 0.00 0.00 SOLV ATOM 21122 H1 TIP3 5043 0.076 -38.108 14.308 0.00 0.00 SOLV ATOM 21123 H2 TIP3 5043 1.032 -36.954 13.936 0.00 0.00 SOLV ATOM 21124 OH2 TIP3 5044 -5.063 -25.412 55.535 0.00 0.00 SOLV ATOM 21125 H1 TIP3 5044 -5.368 -24.840 56.286 0.00 0.00 SOLV ATOM 21126 H2 TIP3 5044 -4.252 -25.046 55.236 0.00 0.00 SOLV ATOM 21127 OH2 TIP3 5045 7.927 -20.033 9.645 0.00 0.00 SOLV ATOM 21128 H1 TIP3 5045 8.781 -19.846 9.194 0.00 0.00 SOLV ATOM 21129 H2 TIP3 5045 7.861 -19.222 10.207 0.00 0.00 SOLV ATOM 21130 OH2 TIP3 5046 12.581 16.390 23.386 0.00 0.00 SOLV ATOM 21131 H1 TIP3 5046 12.068 16.826 24.070 0.00 0.00 SOLV ATOM 21132 H2 TIP3 5046 11.965 16.603 22.688 0.00 0.00 SOLV ATOM 21133 OH2 TIP3 5047 12.181 -27.875 10.232 0.00 0.00 SOLV ATOM 21134 H1 TIP3 5047 11.992 -27.002 10.219 0.00 0.00 SOLV ATOM 21135 H2 TIP3 5047 11.850 -28.129 11.123 0.00 0.00 SOLV ATOM 21136 OH2 TIP3 5048 -14.211 -27.254 33.118 0.00 0.00 SOLV ATOM 21137 H1 TIP3 5048 -15.152 -26.885 32.907 0.00 0.00 SOLV ATOM 21138 H2 TIP3 5048 -13.721 -26.643 33.689 0.00 0.00 SOLV ATOM 21139 OH2 TIP3 5049 -4.808 -21.001 47.453 0.00 0.00 SOLV ATOM 21140 H1 TIP3 5049 -5.730 -21.016 47.838 0.00 0.00 SOLV ATOM 21141 H2 TIP3 5049 -4.308 -20.239 47.851 0.00 0.00 SOLV ATOM 21142 OH2 TIP3 5050 10.162 -28.696 36.211 0.00 0.00 SOLV ATOM 21143 H1 TIP3 5050 10.332 -29.218 35.415 0.00 0.00 SOLV ATOM 21144 H2 TIP3 5050 10.756 -29.138 36.905 0.00 0.00 SOLV ATOM 21145 OH2 TIP3 5051 23.631 -1.762 -12.471 0.00 0.00 SOLV ATOM 21146 H1 TIP3 5051 23.193 -0.974 -12.236 0.00 0.00 SOLV ATOM 21147 H2 TIP3 5051 23.266 -2.466 -11.883 0.00 0.00 SOLV ATOM 21148 OH2 TIP3 5052 0.728 -16.393 52.232 0.00 0.00 SOLV ATOM 21149 H1 TIP3 5052 1.019 -17.020 52.869 0.00 0.00 SOLV ATOM 21150 H2 TIP3 5052 0.264 -15.742 52.820 0.00 0.00 SOLV ATOM 21151 OH2 TIP3 5053 2.834 -20.802 53.647 0.00 0.00 SOLV ATOM 21152 H1 TIP3 5053 3.052 -19.872 53.852 0.00 0.00 SOLV ATOM 21153 H2 TIP3 5053 3.671 -21.287 53.684 0.00 0.00 SOLV ATOM 21154 OH2 TIP3 5054 -5.612 -34.799 10.292 0.00 0.00 SOLV ATOM 21155 H1 TIP3 5054 -5.178 -35.583 10.005 0.00 0.00 SOLV ATOM 21156 H2 TIP3 5054 -5.317 -34.117 9.671 0.00 0.00 SOLV ATOM 21157 OH2 TIP3 5055 8.817 -24.305 16.325 0.00 0.00 SOLV ATOM 21158 H1 TIP3 5055 8.446 -24.801 17.097 0.00 0.00 SOLV ATOM 21159 H2 TIP3 5055 9.484 -24.938 16.005 0.00 0.00 SOLV ATOM 21160 OH2 TIP3 5056 14.521 -14.061 14.188 0.00 0.00 SOLV ATOM 21161 H1 TIP3 5056 14.742 -14.437 13.315 0.00 0.00 SOLV ATOM 21162 H2 TIP3 5056 15.313 -13.551 14.414 0.00 0.00 SOLV ATOM 21163 OH2 TIP3 5057 4.575 -28.897 31.666 0.00 0.00 SOLV ATOM 21164 H1 TIP3 5057 3.679 -29.181 31.758 0.00 0.00 SOLV ATOM 21165 H2 TIP3 5057 4.558 -27.881 31.658 0.00 0.00 SOLV ATOM 21166 OH2 TIP3 5058 13.801 -9.716 43.134 0.00 0.00 SOLV ATOM 21167 H1 TIP3 5058 13.002 -9.219 43.098 0.00 0.00 SOLV ATOM 21168 H2 TIP3 5058 13.978 -9.791 44.047 0.00 0.00 SOLV ATOM 21169 OH2 TIP3 5059 11.782 10.493 22.695 0.00 0.00 SOLV ATOM 21170 H1 TIP3 5059 11.817 10.699 21.749 0.00 0.00 SOLV ATOM 21171 H2 TIP3 5059 12.100 11.339 23.057 0.00 0.00 SOLV ATOM 21172 OH2 TIP3 5060 10.265 -24.915 33.697 0.00 0.00 SOLV ATOM 21173 H1 TIP3 5060 10.510 -25.159 34.610 0.00 0.00 SOLV ATOM 21174 H2 TIP3 5060 11.046 -24.527 33.366 0.00 0.00 SOLV ATOM 21175 OH2 TIP3 5061 8.570 -9.947 43.716 0.00 0.00 SOLV ATOM 21176 H1 TIP3 5061 8.548 -9.141 44.204 0.00 0.00 SOLV ATOM 21177 H2 TIP3 5061 7.990 -9.769 42.955 0.00 0.00 SOLV ATOM 21178 OH2 TIP3 5062 3.143 -9.933 46.746 0.00 0.00 SOLV ATOM 21179 H1 TIP3 5062 3.041 -9.636 47.697 0.00 0.00 SOLV ATOM 21180 H2 TIP3 5062 2.657 -10.754 46.707 0.00 0.00 SOLV ATOM 21181 OH2 TIP3 5063 3.661 -3.412 51.685 0.00 0.00 SOLV ATOM 21182 H1 TIP3 5063 3.018 -4.076 51.320 0.00 0.00 SOLV ATOM 21183 H2 TIP3 5063 3.834 -2.840 50.960 0.00 0.00 SOLV ATOM 21184 OH2 TIP3 5064 11.299 -7.857 40.114 0.00 0.00 SOLV ATOM 21185 H1 TIP3 5064 11.726 -8.049 40.970 0.00 0.00 SOLV ATOM 21186 H2 TIP3 5064 10.746 -7.099 40.375 0.00 0.00 SOLV ATOM 21187 OH2 TIP3 5065 -15.214 -2.477 25.230 0.00 0.00 SOLV ATOM 21188 H1 TIP3 5065 -15.709 -3.090 24.665 0.00 0.00 SOLV ATOM 21189 H2 TIP3 5065 -15.896 -1.869 25.563 0.00 0.00 SOLV ATOM 21190 OH2 TIP3 5066 -19.619 -8.333 24.577 0.00 0.00 SOLV ATOM 21191 H1 TIP3 5066 -19.444 -7.365 24.758 0.00 0.00 SOLV ATOM 21192 H2 TIP3 5066 -20.515 -8.340 24.183 0.00 0.00 SOLV ATOM 21193 OH2 TIP3 5067 15.388 -14.581 19.250 0.00 0.00 SOLV ATOM 21194 H1 TIP3 5067 14.937 -15.281 18.744 0.00 0.00 SOLV ATOM 21195 H2 TIP3 5067 15.720 -15.011 20.011 0.00 0.00 SOLV ATOM 21196 OH2 TIP3 5068 7.414 -28.928 35.405 0.00 0.00 SOLV ATOM 21197 H1 TIP3 5068 7.379 -29.933 35.245 0.00 0.00 SOLV ATOM 21198 H2 TIP3 5068 8.344 -28.741 35.648 0.00 0.00 SOLV ATOM 21199 OH2 TIP3 5069 -17.769 -0.813 23.176 0.00 0.00 SOLV ATOM 21200 H1 TIP3 5069 -18.572 -1.129 23.634 0.00 0.00 SOLV ATOM 21201 H2 TIP3 5069 -17.400 -0.184 23.824 0.00 0.00 SOLV ATOM 21202 OH2 TIP3 5070 1.652 -5.784 43.903 0.00 0.00 SOLV ATOM 21203 H1 TIP3 5070 0.861 -6.262 43.633 0.00 0.00 SOLV ATOM 21204 H2 TIP3 5070 2.174 -6.568 44.261 0.00 0.00 SOLV ATOM 21205 OH2 TIP3 5071 14.118 -9.310 45.841 0.00 0.00 SOLV ATOM 21206 H1 TIP3 5071 13.284 -9.441 46.344 0.00 0.00 SOLV ATOM 21207 H2 TIP3 5071 14.849 -9.217 46.454 0.00 0.00 SOLV ATOM 21208 OH2 TIP3 5072 5.866 1.221 43.488 0.00 0.00 SOLV ATOM 21209 H1 TIP3 5072 6.399 0.578 43.040 0.00 0.00 SOLV ATOM 21210 H2 TIP3 5072 6.425 1.455 44.199 0.00 0.00 SOLV ATOM 21211 OH2 TIP3 5073 14.692 -14.771 40.029 0.00 0.00 SOLV ATOM 21212 H1 TIP3 5073 15.233 -14.031 40.309 0.00 0.00 SOLV ATOM 21213 H2 TIP3 5073 15.200 -15.194 39.368 0.00 0.00 SOLV ATOM 21214 OH2 TIP3 5074 -9.622 1.854 34.035 0.00 0.00 SOLV ATOM 21215 H1 TIP3 5074 -9.959 1.108 34.674 0.00 0.00 SOLV ATOM 21216 H2 TIP3 5074 -8.713 1.849 34.279 0.00 0.00 SOLV ATOM 21217 OH2 TIP3 5075 15.868 3.300 40.991 0.00 0.00 SOLV ATOM 21218 H1 TIP3 5075 16.578 3.338 40.280 0.00 0.00 SOLV ATOM 21219 H2 TIP3 5075 15.072 3.133 40.500 0.00 0.00 SOLV ATOM 21220 OH2 TIP3 5076 2.191 -12.065 49.650 0.00 0.00 SOLV ATOM 21221 H1 TIP3 5076 2.181 -12.567 50.535 0.00 0.00 SOLV ATOM 21222 H2 TIP3 5076 1.297 -11.811 49.538 0.00 0.00 SOLV ATOM 21223 OH2 TIP3 5077 0.734 -30.363 20.430 0.00 0.00 SOLV ATOM 21224 H1 TIP3 5077 0.803 -29.643 19.827 0.00 0.00 SOLV ATOM 21225 H2 TIP3 5077 0.882 -29.949 21.242 0.00 0.00 SOLV ATOM 21226 OH2 TIP3 5078 -8.810 -6.214 47.758 0.00 0.00 SOLV ATOM 21227 H1 TIP3 5078 -8.415 -5.319 47.730 0.00 0.00 SOLV ATOM 21228 H2 TIP3 5078 -9.674 -6.142 47.306 0.00 0.00 SOLV ATOM 21229 OH2 TIP3 5079 5.246 -23.388 25.147 0.00 0.00 SOLV ATOM 21230 H1 TIP3 5079 4.904 -23.286 25.997 0.00 0.00 SOLV ATOM 21231 H2 TIP3 5079 6.164 -23.241 25.377 0.00 0.00 SOLV ATOM 21232 OH2 TIP3 5080 17.167 15.677 8.773 0.00 0.00 SOLV ATOM 21233 H1 TIP3 5080 17.498 14.856 9.130 0.00 0.00 SOLV ATOM 21234 H2 TIP3 5080 16.308 15.475 8.317 0.00 0.00 SOLV ATOM 21235 OH2 TIP3 5081 14.192 -9.965 35.920 0.00 0.00 SOLV ATOM 21236 H1 TIP3 5081 14.011 -10.839 35.540 0.00 0.00 SOLV ATOM 21237 H2 TIP3 5081 13.520 -9.387 35.483 0.00 0.00 SOLV ATOM 21238 OH2 TIP3 5082 6.036 21.823 -3.787 0.00 0.00 SOLV ATOM 21239 H1 TIP3 5082 5.666 22.713 -3.520 0.00 0.00 SOLV ATOM 21240 H2 TIP3 5082 5.397 21.611 -4.454 0.00 0.00 SOLV ATOM 21241 OH2 TIP3 5083 2.590 -1.219 43.148 0.00 0.00 SOLV ATOM 21242 H1 TIP3 5083 1.971 -1.182 43.887 0.00 0.00 SOLV ATOM 21243 H2 TIP3 5083 2.652 -0.247 42.896 0.00 0.00 SOLV ATOM 21244 OH2 TIP3 5084 -0.725 -8.820 46.589 0.00 0.00 SOLV ATOM 21245 H1 TIP3 5084 -1.311 -8.569 47.307 0.00 0.00 SOLV ATOM 21246 H2 TIP3 5084 -0.323 -9.638 46.875 0.00 0.00 SOLV ATOM 21247 OH2 TIP3 5085 -3.714 -1.271 50.535 0.00 0.00 SOLV ATOM 21248 H1 TIP3 5085 -3.628 -0.974 51.457 0.00 0.00 SOLV ATOM 21249 H2 TIP3 5085 -2.813 -1.162 50.237 0.00 0.00 SOLV ATOM 21250 OH2 TIP3 5086 7.643 -6.967 51.271 0.00 0.00 SOLV ATOM 21251 H1 TIP3 5086 8.136 -6.322 51.732 0.00 0.00 SOLV ATOM 21252 H2 TIP3 5086 8.062 -7.884 51.493 0.00 0.00 SOLV ATOM 21253 OH2 TIP3 5087 20.332 -2.629 18.103 0.00 0.00 SOLV ATOM 21254 H1 TIP3 5087 19.644 -2.212 17.538 0.00 0.00 SOLV ATOM 21255 H2 TIP3 5087 20.211 -3.535 17.879 0.00 0.00 SOLV ATOM 21256 OH2 TIP3 5088 11.555 -22.762 31.960 0.00 0.00 SOLV ATOM 21257 H1 TIP3 5088 11.896 -22.060 32.532 0.00 0.00 SOLV ATOM 21258 H2 TIP3 5088 12.175 -23.472 32.139 0.00 0.00 SOLV ATOM 21259 OH2 TIP3 5089 -3.416 16.838 7.832 0.00 0.00 SOLV ATOM 21260 H1 TIP3 5089 -3.729 15.950 7.666 0.00 0.00 SOLV ATOM 21261 H2 TIP3 5089 -2.501 16.685 8.017 0.00 0.00 SOLV ATOM 21262 OH2 TIP3 5090 2.891 -12.197 -17.559 0.00 0.00 SOLV ATOM 21263 H1 TIP3 5090 1.978 -11.989 -17.657 0.00 0.00 SOLV ATOM 21264 H2 TIP3 5090 2.930 -13.147 -17.742 0.00 0.00 SOLV ATOM 21265 OH2 TIP3 5091 6.768 -2.194 6.136 0.00 0.00 SOLV ATOM 21266 H1 TIP3 5091 7.107 -1.284 6.068 0.00 0.00 SOLV ATOM 21267 H2 TIP3 5091 7.041 -2.472 6.973 0.00 0.00 SOLV ATOM 21268 OH2 TIP3 5092 -6.495 -2.463 44.842 0.00 0.00 SOLV ATOM 21269 H1 TIP3 5092 -5.638 -2.755 45.085 0.00 0.00 SOLV ATOM 21270 H2 TIP3 5092 -6.345 -2.119 43.964 0.00 0.00 SOLV ATOM 21271 OH2 TIP3 5093 11.535 -1.882 28.129 0.00 0.00 SOLV ATOM 21272 H1 TIP3 5093 11.404 -2.656 28.732 0.00 0.00 SOLV ATOM 21273 H2 TIP3 5093 12.429 -2.054 27.936 0.00 0.00 SOLV ATOM 21274 OH2 TIP3 5094 7.044 -3.756 43.533 0.00 0.00 SOLV ATOM 21275 H1 TIP3 5094 7.760 -3.257 43.051 0.00 0.00 SOLV ATOM 21276 H2 TIP3 5094 7.217 -3.419 44.435 0.00 0.00 SOLV ATOM 21277 OH2 TIP3 5095 17.791 -8.399 44.313 0.00 0.00 SOLV ATOM 21278 H1 TIP3 5095 18.606 -7.981 44.209 0.00 0.00 SOLV ATOM 21279 H2 TIP3 5095 17.446 -7.953 45.053 0.00 0.00 SOLV ATOM 21280 OH2 TIP3 5096 -6.491 -12.152 45.208 0.00 0.00 SOLV ATOM 21281 H1 TIP3 5096 -5.751 -12.580 45.753 0.00 0.00 SOLV ATOM 21282 H2 TIP3 5096 -7.072 -11.768 45.882 0.00 0.00 SOLV ATOM 21283 OH2 TIP3 5097 -19.040 10.970 -19.245 0.00 0.00 SOLV ATOM 21284 H1 TIP3 5097 -18.987 10.526 -20.170 0.00 0.00 SOLV ATOM 21285 H2 TIP3 5097 -18.216 10.740 -18.848 0.00 0.00 SOLV ATOM 21286 OH2 TIP3 5098 -17.459 -1.465 26.357 0.00 0.00 SOLV ATOM 21287 H1 TIP3 5098 -17.256 -1.458 27.346 0.00 0.00 SOLV ATOM 21288 H2 TIP3 5098 -18.186 -2.094 26.268 0.00 0.00 SOLV ATOM 21289 OH2 TIP3 5099 12.216 7.892 46.254 0.00 0.00 SOLV ATOM 21290 H1 TIP3 5099 11.699 8.640 45.852 0.00 0.00 SOLV ATOM 21291 H2 TIP3 5099 11.999 7.926 47.191 0.00 0.00 SOLV ATOM 21292 OH2 TIP3 5100 -4.775 -9.000 46.743 0.00 0.00 SOLV ATOM 21293 H1 TIP3 5100 -3.989 -9.108 47.385 0.00 0.00 SOLV ATOM 21294 H2 TIP3 5100 -5.438 -8.710 47.389 0.00 0.00 SOLV ATOM 21295 OH2 TIP3 5101 24.158 2.586 10.200 0.00 0.00 SOLV ATOM 21296 H1 TIP3 5101 24.901 2.001 10.217 0.00 0.00 SOLV ATOM 21297 H2 TIP3 5101 24.417 3.260 10.906 0.00 0.00 SOLV ATOM 21298 OH2 TIP3 5102 5.252 -26.188 12.368 0.00 0.00 SOLV ATOM 21299 H1 TIP3 5102 5.419 -25.851 11.530 0.00 0.00 SOLV ATOM 21300 H2 TIP3 5102 5.453 -27.123 12.250 0.00 0.00 SOLV ATOM 21301 OH2 TIP3 5103 18.719 13.720 17.182 0.00 0.00 SOLV ATOM 21302 H1 TIP3 5103 18.280 13.429 18.002 0.00 0.00 SOLV ATOM 21303 H2 TIP3 5103 19.138 14.476 17.513 0.00 0.00 SOLV ATOM 21304 OH2 TIP3 5104 19.026 10.742 17.050 0.00 0.00 SOLV ATOM 21305 H1 TIP3 5104 18.770 10.569 17.930 0.00 0.00 SOLV ATOM 21306 H2 TIP3 5104 19.032 11.692 16.981 0.00 0.00 SOLV ATOM 21307 OH2 TIP3 5105 -2.239 -12.051 46.047 0.00 0.00 SOLV ATOM 21308 H1 TIP3 5105 -1.935 -12.929 46.472 0.00 0.00 SOLV ATOM 21309 H2 TIP3 5105 -3.170 -11.978 46.375 0.00 0.00 SOLV ATOM 21310 OH2 TIP3 5106 13.257 12.416 30.816 0.00 0.00 SOLV ATOM 21311 H1 TIP3 5106 12.528 12.547 31.462 0.00 0.00 SOLV ATOM 21312 H2 TIP3 5106 13.477 11.498 31.069 0.00 0.00 SOLV ATOM 21313 OH2 TIP3 5107 6.458 -5.078 49.467 0.00 0.00 SOLV ATOM 21314 H1 TIP3 5107 5.505 -5.293 49.358 0.00 0.00 SOLV ATOM 21315 H2 TIP3 5107 6.834 -5.865 49.914 0.00 0.00 SOLV ATOM 21316 OH2 TIP3 5108 11.182 -4.545 38.672 0.00 0.00 SOLV ATOM 21317 H1 TIP3 5108 11.649 -4.106 39.327 0.00 0.00 SOLV ATOM 21318 H2 TIP3 5108 10.250 -4.577 39.009 0.00 0.00 SOLV ATOM 21319 OH2 TIP3 5109 2.922 5.722 44.344 0.00 0.00 SOLV ATOM 21320 H1 TIP3 5109 2.042 6.223 44.330 0.00 0.00 SOLV ATOM 21321 H2 TIP3 5109 3.189 5.653 45.342 0.00 0.00 SOLV ATOM 21322 OH2 TIP3 5110 11.474 14.727 -19.678 0.00 0.00 SOLV ATOM 21323 H1 TIP3 5110 11.814 15.528 -19.292 0.00 0.00 SOLV ATOM 21324 H2 TIP3 5110 11.267 14.128 -18.881 0.00 0.00 SOLV ATOM 21325 OH2 TIP3 5111 4.661 13.684 36.160 0.00 0.00 SOLV ATOM 21326 H1 TIP3 5111 5.498 13.743 35.742 0.00 0.00 SOLV ATOM 21327 H2 TIP3 5111 4.075 13.427 35.457 0.00 0.00 SOLV ATOM 21328 OH2 TIP3 5112 -9.662 15.556 27.866 0.00 0.00 SOLV ATOM 21329 H1 TIP3 5112 -9.638 15.876 28.765 0.00 0.00 SOLV ATOM 21330 H2 TIP3 5112 -8.814 15.379 27.541 0.00 0.00 SOLV ATOM 21331 OH2 TIP3 5113 -7.053 2.118 47.642 0.00 0.00 SOLV ATOM 21332 H1 TIP3 5113 -6.823 1.243 47.984 0.00 0.00 SOLV ATOM 21333 H2 TIP3 5113 -8.007 2.107 47.462 0.00 0.00 SOLV ATOM 21334 OH2 TIP3 5114 11.271 -1.132 35.927 0.00 0.00 SOLV ATOM 21335 H1 TIP3 5114 12.174 -1.520 35.970 0.00 0.00 SOLV ATOM 21336 H2 TIP3 5114 10.760 -1.698 35.271 0.00 0.00 SOLV ATOM 21337 OH2 TIP3 5115 9.544 6.756 43.532 0.00 0.00 SOLV ATOM 21338 H1 TIP3 5115 9.586 5.816 43.560 0.00 0.00 SOLV ATOM 21339 H2 TIP3 5115 10.325 7.058 43.044 0.00 0.00 SOLV ATOM 21340 OH2 TIP3 5116 6.187 0.385 47.072 0.00 0.00 SOLV ATOM 21341 H1 TIP3 5116 7.014 0.166 47.500 0.00 0.00 SOLV ATOM 21342 H2 TIP3 5116 5.771 -0.409 46.650 0.00 0.00 SOLV ATOM 21343 OH2 TIP3 5117 0.723 13.067 16.625 0.00 0.00 SOLV ATOM 21344 H1 TIP3 5117 1.423 13.412 17.233 0.00 0.00 SOLV ATOM 21345 H2 TIP3 5117 -0.056 13.201 17.158 0.00 0.00 SOLV ATOM 21346 OH2 TIP3 5118 -11.636 -2.759 23.611 0.00 0.00 SOLV ATOM 21347 H1 TIP3 5118 -11.481 -1.847 23.920 0.00 0.00 SOLV ATOM 21348 H2 TIP3 5118 -11.148 -3.398 24.265 0.00 0.00 SOLV ATOM 21349 OH2 TIP3 5119 3.899 -1.376 49.576 0.00 0.00 SOLV ATOM 21350 H1 TIP3 5119 3.651 -0.562 50.043 0.00 0.00 SOLV ATOM 21351 H2 TIP3 5119 3.401 -1.417 48.743 0.00 0.00 SOLV ATOM 21352 OH2 TIP3 5120 2.489 -16.500 49.841 0.00 0.00 SOLV ATOM 21353 H1 TIP3 5120 1.841 -16.333 50.529 0.00 0.00 SOLV ATOM 21354 H2 TIP3 5120 2.096 -17.259 49.379 0.00 0.00 SOLV ATOM 21355 OH2 TIP3 5121 -3.962 -41.756 9.101 0.00 0.00 SOLV ATOM 21356 H1 TIP3 5121 -4.944 -41.714 9.276 0.00 0.00 SOLV ATOM 21357 H2 TIP3 5121 -3.568 -42.299 9.865 0.00 0.00 SOLV ATOM 21358 OH2 TIP3 5122 2.365 -0.937 47.405 0.00 0.00 SOLV ATOM 21359 H1 TIP3 5122 1.511 -1.429 47.471 0.00 0.00 SOLV ATOM 21360 H2 TIP3 5122 2.207 -0.027 47.722 0.00 0.00 SOLV ATOM 21361 OH2 TIP3 5123 4.169 -44.283 14.428 0.00 0.00 SOLV ATOM 21362 H1 TIP3 5123 5.074 -44.408 14.389 0.00 0.00 SOLV ATOM 21363 H2 TIP3 5123 3.807 -45.189 14.408 0.00 0.00 SOLV ATOM 21364 OH2 TIP3 5124 -17.890 12.936 9.120 0.00 0.00 SOLV ATOM 21365 H1 TIP3 5124 -17.662 13.306 8.185 0.00 0.00 SOLV ATOM 21366 H2 TIP3 5124 -18.836 12.778 9.046 0.00 0.00 SOLV ATOM 21367 OH2 TIP3 5125 -11.160 12.348 31.656 0.00 0.00 SOLV ATOM 21368 H1 TIP3 5125 -10.974 12.300 32.594 0.00 0.00 SOLV ATOM 21369 H2 TIP3 5125 -11.320 11.411 31.348 0.00 0.00 SOLV ATOM 21370 OH2 TIP3 5126 14.462 5.412 30.581 0.00 0.00 SOLV ATOM 21371 H1 TIP3 5126 14.043 6.248 30.926 0.00 0.00 SOLV ATOM 21372 H2 TIP3 5126 13.698 4.914 30.232 0.00 0.00 SOLV ATOM 21373 OH2 TIP3 5127 5.545 13.403 20.962 0.00 0.00 SOLV ATOM 21374 H1 TIP3 5127 6.195 12.919 21.579 0.00 0.00 SOLV ATOM 21375 H2 TIP3 5127 5.768 13.035 20.049 0.00 0.00 SOLV ATOM 21376 OH2 TIP3 5128 5.338 11.607 40.128 0.00 0.00 SOLV ATOM 21377 H1 TIP3 5128 5.196 12.561 40.402 0.00 0.00 SOLV ATOM 21378 H2 TIP3 5128 6.277 11.665 39.904 0.00 0.00 SOLV ATOM 21379 OH2 TIP3 5129 -9.113 -16.558 47.005 0.00 0.00 SOLV ATOM 21380 H1 TIP3 5129 -8.312 -16.205 47.409 0.00 0.00 SOLV ATOM 21381 H2 TIP3 5129 -8.891 -16.609 46.057 0.00 0.00 SOLV ATOM 21382 OH2 TIP3 5130 10.807 -2.046 48.338 0.00 0.00 SOLV ATOM 21383 H1 TIP3 5130 11.044 -2.818 47.787 0.00 0.00 SOLV ATOM 21384 H2 TIP3 5130 11.717 -1.500 48.450 0.00 0.00 SOLV ATOM 21385 OH2 TIP3 5131 15.862 15.257 36.600 0.00 0.00 SOLV ATOM 21386 H1 TIP3 5131 16.241 14.645 35.939 0.00 0.00 SOLV ATOM 21387 H2 TIP3 5131 15.261 14.691 37.138 0.00 0.00 SOLV ATOM 21388 OH2 TIP3 5132 -8.706 8.119 43.218 0.00 0.00 SOLV ATOM 21389 H1 TIP3 5132 -9.514 7.673 43.390 0.00 0.00 SOLV ATOM 21390 H2 TIP3 5132 -8.776 8.369 42.342 0.00 0.00 SOLV ATOM 21391 OH2 TIP3 5133 -4.315 -42.065 17.177 0.00 0.00 SOLV ATOM 21392 H1 TIP3 5133 -5.136 -41.581 17.203 0.00 0.00 SOLV ATOM 21393 H2 TIP3 5133 -3.660 -41.414 17.385 0.00 0.00 SOLV ATOM 21394 OH2 TIP3 5134 -7.363 -12.106 -3.058 0.00 0.00 SOLV ATOM 21395 H1 TIP3 5134 -6.985 -12.979 -2.850 0.00 0.00 SOLV ATOM 21396 H2 TIP3 5134 -6.626 -11.546 -3.286 0.00 0.00 SOLV ATOM 21397 OH2 TIP3 5135 14.706 8.118 44.084 0.00 0.00 SOLV ATOM 21398 H1 TIP3 5135 14.217 7.344 44.389 0.00 0.00 SOLV ATOM 21399 H2 TIP3 5135 13.983 8.725 43.826 0.00 0.00 SOLV ATOM 21400 OH2 TIP3 5136 3.128 10.569 43.265 0.00 0.00 SOLV ATOM 21401 H1 TIP3 5136 3.349 10.188 44.164 0.00 0.00 SOLV ATOM 21402 H2 TIP3 5136 3.605 10.028 42.635 0.00 0.00 SOLV ATOM 21403 OH2 TIP3 5137 14.852 15.767 40.031 0.00 0.00 SOLV ATOM 21404 H1 TIP3 5137 13.870 15.787 39.800 0.00 0.00 SOLV ATOM 21405 H2 TIP3 5137 15.015 16.600 40.501 0.00 0.00 SOLV ATOM 21406 OH2 TIP3 5138 0.693 16.003 23.733 0.00 0.00 SOLV ATOM 21407 H1 TIP3 5138 -0.163 16.600 23.669 0.00 0.00 SOLV ATOM 21408 H2 TIP3 5138 1.413 16.636 23.473 0.00 0.00 SOLV ATOM 21409 OH2 TIP3 5139 8.969 -19.719 36.839 0.00 0.00 SOLV ATOM 21410 H1 TIP3 5139 8.723 -18.859 36.539 0.00 0.00 SOLV ATOM 21411 H2 TIP3 5139 8.590 -19.757 37.689 0.00 0.00 SOLV ATOM 21412 OH2 TIP3 5140 -2.315 -36.603 24.457 0.00 0.00 SOLV ATOM 21413 H1 TIP3 5140 -3.107 -36.205 24.059 0.00 0.00 SOLV ATOM 21414 H2 TIP3 5140 -2.244 -37.437 24.002 0.00 0.00 SOLV ATOM 21415 OH2 TIP3 5141 -16.938 15.281 31.070 0.00 0.00 SOLV ATOM 21416 H1 TIP3 5141 -16.003 14.989 31.356 0.00 0.00 SOLV ATOM 21417 H2 TIP3 5141 -17.360 15.207 31.874 0.00 0.00 SOLV ATOM 21418 OH2 TIP3 5142 9.554 -4.511 51.564 0.00 0.00 SOLV ATOM 21419 H1 TIP3 5142 9.217 -3.691 51.948 0.00 0.00 SOLV ATOM 21420 H2 TIP3 5142 10.427 -4.707 51.931 0.00 0.00 SOLV ATOM 21421 OH2 TIP3 5143 12.500 9.758 43.717 0.00 0.00 SOLV ATOM 21422 H1 TIP3 5143 11.915 9.591 42.944 0.00 0.00 SOLV ATOM 21423 H2 TIP3 5143 11.795 10.010 44.297 0.00 0.00 SOLV ATOM 21424 OH2 TIP3 5144 3.537 6.110 46.875 0.00 0.00 SOLV ATOM 21425 H1 TIP3 5144 2.831 5.884 47.473 0.00 0.00 SOLV ATOM 21426 H2 TIP3 5144 4.225 6.505 47.414 0.00 0.00 SOLV ATOM 21427 OH2 TIP3 5145 4.576 -39.667 13.363 0.00 0.00 SOLV ATOM 21428 H1 TIP3 5145 4.461 -38.725 13.441 0.00 0.00 SOLV ATOM 21429 H2 TIP3 5145 3.983 -40.004 14.036 0.00 0.00 SOLV ATOM 21430 OH2 TIP3 5146 4.873 -38.398 22.191 0.00 0.00 SOLV ATOM 21431 H1 TIP3 5146 4.997 -37.487 22.367 0.00 0.00 SOLV ATOM 21432 H2 TIP3 5146 5.653 -38.665 21.684 0.00 0.00 SOLV ATOM 21433 OH2 TIP3 5147 -24.249 0.396 3.697 0.00 0.00 SOLV ATOM 21434 H1 TIP3 5147 -23.369 0.693 3.950 0.00 0.00 SOLV ATOM 21435 H2 TIP3 5147 -24.042 -0.547 3.504 0.00 0.00 SOLV ATOM 21436 OH2 TIP3 5148 -1.464 10.223 41.285 0.00 0.00 SOLV ATOM 21437 H1 TIP3 5148 -1.062 10.956 40.729 0.00 0.00 SOLV ATOM 21438 H2 TIP3 5148 -1.618 10.656 42.088 0.00 0.00 SOLV ATOM 21439 OH2 TIP3 5149 -6.702 29.464 -3.512 0.00 0.00 SOLV ATOM 21440 H1 TIP3 5149 -6.665 29.505 -2.584 0.00 0.00 SOLV ATOM 21441 H2 TIP3 5149 -5.821 29.843 -3.813 0.00 0.00 SOLV ATOM 21442 OH2 TIP3 5150 8.532 -31.148 15.427 0.00 0.00 SOLV ATOM 21443 H1 TIP3 5150 9.390 -30.921 15.772 0.00 0.00 SOLV ATOM 21444 H2 TIP3 5150 8.491 -30.703 14.544 0.00 0.00 SOLV ATOM 21445 OH2 TIP3 5151 11.984 -31.258 19.497 0.00 0.00 SOLV ATOM 21446 H1 TIP3 5151 12.320 -32.117 19.456 0.00 0.00 SOLV ATOM 21447 H2 TIP3 5151 12.792 -30.768 19.450 0.00 0.00 SOLV ATOM 21448 OH2 TIP3 5152 3.408 -32.654 40.841 0.00 0.00 SOLV ATOM 21449 H1 TIP3 5152 3.703 -33.149 41.585 0.00 0.00 SOLV ATOM 21450 H2 TIP3 5152 3.846 -33.167 40.123 0.00 0.00 SOLV ATOM 21451 OH2 TIP3 5153 4.659 -35.853 29.070 0.00 0.00 SOLV ATOM 21452 H1 TIP3 5153 5.349 -36.288 28.547 0.00 0.00 SOLV ATOM 21453 H2 TIP3 5153 3.979 -35.566 28.422 0.00 0.00 SOLV ATOM 21454 OH2 TIP3 5154 20.451 7.149 22.913 0.00 0.00 SOLV ATOM 21455 H1 TIP3 5154 20.957 7.838 23.409 0.00 0.00 SOLV ATOM 21456 H2 TIP3 5154 19.839 6.805 23.563 0.00 0.00 SOLV ATOM 21457 OH2 TIP3 5155 -3.860 -29.740 11.328 0.00 0.00 SOLV ATOM 21458 H1 TIP3 5155 -4.736 -29.993 11.046 0.00 0.00 SOLV ATOM 21459 H2 TIP3 5155 -3.382 -30.566 11.207 0.00 0.00 SOLV ATOM 21460 OH2 TIP3 5156 -4.286 -39.070 37.056 0.00 0.00 SOLV ATOM 21461 H1 TIP3 5156 -3.864 -38.185 37.153 0.00 0.00 SOLV ATOM 21462 H2 TIP3 5156 -4.385 -39.113 36.098 0.00 0.00 SOLV ATOM 21463 OH2 TIP3 5157 3.983 -26.817 16.273 0.00 0.00 SOLV ATOM 21464 H1 TIP3 5157 4.333 -26.013 16.618 0.00 0.00 SOLV ATOM 21465 H2 TIP3 5157 3.661 -27.195 17.088 0.00 0.00 SOLV ATOM 21466 OH2 TIP3 5158 7.043 -37.964 32.825 0.00 0.00 SOLV ATOM 21467 H1 TIP3 5158 7.650 -38.026 32.152 0.00 0.00 SOLV ATOM 21468 H2 TIP3 5158 6.476 -38.677 32.561 0.00 0.00 SOLV ATOM 21469 OH2 TIP3 5159 12.162 -28.272 33.285 0.00 0.00 SOLV ATOM 21470 H1 TIP3 5159 12.118 -29.234 33.400 0.00 0.00 SOLV ATOM 21471 H2 TIP3 5159 11.257 -28.073 33.064 0.00 0.00 SOLV ATOM 21472 OH2 TIP3 5160 3.741 -37.046 13.475 0.00 0.00 SOLV ATOM 21473 H1 TIP3 5160 4.029 -36.519 12.700 0.00 0.00 SOLV ATOM 21474 H2 TIP3 5160 3.135 -36.400 13.829 0.00 0.00 SOLV ATOM 21475 OH2 TIP3 5161 -4.374 -28.050 9.205 0.00 0.00 SOLV ATOM 21476 H1 TIP3 5161 -4.609 -27.126 9.531 0.00 0.00 SOLV ATOM 21477 H2 TIP3 5161 -3.909 -28.435 10.005 0.00 0.00 SOLV ATOM 21478 OH2 TIP3 5162 -13.088 -38.027 11.491 0.00 0.00 SOLV ATOM 21479 H1 TIP3 5162 -14.030 -38.310 11.495 0.00 0.00 SOLV ATOM 21480 H2 TIP3 5162 -13.214 -37.059 11.355 0.00 0.00 SOLV ATOM 21481 OH2 TIP3 5163 10.361 -31.402 21.918 0.00 0.00 SOLV ATOM 21482 H1 TIP3 5163 10.980 -31.489 21.156 0.00 0.00 SOLV ATOM 21483 H2 TIP3 5163 10.081 -32.327 22.114 0.00 0.00 SOLV ATOM 21484 OH2 TIP3 5164 12.494 15.820 35.709 0.00 0.00 SOLV ATOM 21485 H1 TIP3 5164 12.257 15.241 34.951 0.00 0.00 SOLV ATOM 21486 H2 TIP3 5164 13.128 16.445 35.302 0.00 0.00 SOLV ATOM 21487 OH2 TIP3 5165 0.739 -35.935 12.217 0.00 0.00 SOLV ATOM 21488 H1 TIP3 5165 1.380 -35.220 12.568 0.00 0.00 SOLV ATOM 21489 H2 TIP3 5165 1.176 -36.423 11.522 0.00 0.00 SOLV ATOM 21490 OH2 TIP3 5166 11.823 -12.567 11.578 0.00 0.00 SOLV ATOM 21491 H1 TIP3 5166 12.382 -11.840 11.456 0.00 0.00 SOLV ATOM 21492 H2 TIP3 5166 12.083 -13.120 10.772 0.00 0.00 SOLV ATOM 21493 OH2 TIP3 5167 13.259 -33.840 19.589 0.00 0.00 SOLV ATOM 21494 H1 TIP3 5167 14.121 -33.803 19.112 0.00 0.00 SOLV ATOM 21495 H2 TIP3 5167 12.541 -33.785 18.920 0.00 0.00 SOLV ATOM 21496 OH2 TIP3 5168 10.713 -26.053 15.787 0.00 0.00 SOLV ATOM 21497 H1 TIP3 5168 10.953 -26.932 15.559 0.00 0.00 SOLV ATOM 21498 H2 TIP3 5168 11.447 -25.824 16.416 0.00 0.00 SOLV ATOM 21499 OH2 TIP3 5169 8.746 -32.267 38.890 0.00 0.00 SOLV ATOM 21500 H1 TIP3 5169 9.649 -32.244 38.598 0.00 0.00 SOLV ATOM 21501 H2 TIP3 5169 8.699 -33.031 39.549 0.00 0.00 SOLV ATOM 21502 OH2 TIP3 5170 -8.497 -10.152 3.276 0.00 0.00 SOLV ATOM 21503 H1 TIP3 5170 -8.574 -10.774 4.058 0.00 0.00 SOLV ATOM 21504 H2 TIP3 5170 -7.548 -10.151 3.112 0.00 0.00 SOLV ATOM 21505 OH2 TIP3 5171 -22.987 -32.388 26.285 0.00 0.00 SOLV ATOM 21506 H1 TIP3 5171 -22.039 -32.237 26.290 0.00 0.00 SOLV ATOM 21507 H2 TIP3 5171 -23.097 -33.148 25.653 0.00 0.00 SOLV ATOM 21508 OH2 TIP3 5172 2.583 -29.766 35.017 0.00 0.00 SOLV ATOM 21509 H1 TIP3 5172 1.856 -29.676 35.724 0.00 0.00 SOLV ATOM 21510 H2 TIP3 5172 3.334 -30.072 35.515 0.00 0.00 SOLV ATOM 21511 OH2 TIP3 5173 2.020 -35.279 27.601 0.00 0.00 SOLV ATOM 21512 H1 TIP3 5173 1.145 -35.481 27.461 0.00 0.00 SOLV ATOM 21513 H2 TIP3 5173 2.070 -34.299 27.424 0.00 0.00 SOLV ATOM 21514 OH2 TIP3 5174 2.838 -24.638 51.396 0.00 0.00 SOLV ATOM 21515 H1 TIP3 5174 3.296 -23.907 50.973 0.00 0.00 SOLV ATOM 21516 H2 TIP3 5174 2.682 -24.291 52.275 0.00 0.00 SOLV ATOM 21517 OH2 TIP3 5175 1.193 -29.385 47.698 0.00 0.00 SOLV ATOM 21518 H1 TIP3 5175 1.140 -28.516 48.183 0.00 0.00 SOLV ATOM 21519 H2 TIP3 5175 1.846 -29.251 47.017 0.00 0.00 SOLV ATOM 21520 OH2 TIP3 5176 8.099 -26.580 8.365 0.00 0.00 SOLV ATOM 21521 H1 TIP3 5176 7.180 -26.900 8.241 0.00 0.00 SOLV ATOM 21522 H2 TIP3 5176 8.606 -27.399 8.185 0.00 0.00 SOLV ATOM 21523 OH2 TIP3 5177 -7.562 -31.593 16.130 0.00 0.00 SOLV ATOM 21524 H1 TIP3 5177 -7.850 -30.702 16.512 0.00 0.00 SOLV ATOM 21525 H2 TIP3 5177 -6.613 -31.501 16.079 0.00 0.00 SOLV ATOM 21526 OH2 TIP3 5178 4.411 -33.983 14.987 0.00 0.00 SOLV ATOM 21527 H1 TIP3 5178 5.016 -33.533 14.444 0.00 0.00 SOLV ATOM 21528 H2 TIP3 5178 4.785 -33.677 15.797 0.00 0.00 SOLV ATOM 21529 OH2 TIP3 5179 9.785 -26.749 21.128 0.00 0.00 SOLV ATOM 21530 H1 TIP3 5179 9.911 -25.810 20.944 0.00 0.00 SOLV ATOM 21531 H2 TIP3 5179 8.899 -26.903 21.413 0.00 0.00 SOLV ATOM 21532 OH2 TIP3 5180 6.369 -10.109 7.815 0.00 0.00 SOLV ATOM 21533 H1 TIP3 5180 5.847 -9.662 8.555 0.00 0.00 SOLV ATOM 21534 H2 TIP3 5180 5.700 -10.592 7.311 0.00 0.00 SOLV ATOM 21535 OH2 TIP3 5181 2.300 -12.597 41.234 0.00 0.00 SOLV ATOM 21536 H1 TIP3 5181 2.236 -13.535 41.537 0.00 0.00 SOLV ATOM 21537 H2 TIP3 5181 3.070 -12.627 40.739 0.00 0.00 SOLV ATOM 21538 OH2 TIP3 5182 2.376 -36.424 23.538 0.00 0.00 SOLV ATOM 21539 H1 TIP3 5182 3.008 -37.063 23.873 0.00 0.00 SOLV ATOM 21540 H2 TIP3 5182 2.930 -35.598 23.418 0.00 0.00 SOLV ATOM 21541 OH2 TIP3 5183 6.405 -23.512 15.377 0.00 0.00 SOLV ATOM 21542 H1 TIP3 5183 7.117 -23.522 15.999 0.00 0.00 SOLV ATOM 21543 H2 TIP3 5183 6.886 -23.887 14.586 0.00 0.00 SOLV ATOM 21544 OH2 TIP3 5184 14.756 -28.824 10.591 0.00 0.00 SOLV ATOM 21545 H1 TIP3 5184 15.247 -28.127 10.307 0.00 0.00 SOLV ATOM 21546 H2 TIP3 5184 13.888 -28.514 10.535 0.00 0.00 SOLV ATOM 21547 OH2 TIP3 5185 6.090 -34.842 21.919 0.00 0.00 SOLV ATOM 21548 H1 TIP3 5185 5.475 -34.972 21.138 0.00 0.00 SOLV ATOM 21549 H2 TIP3 5185 5.469 -34.720 22.633 0.00 0.00 SOLV ATOM 21550 OH2 TIP3 5186 13.133 -33.146 22.611 0.00 0.00 SOLV ATOM 21551 H1 TIP3 5186 12.726 -33.421 21.770 0.00 0.00 SOLV ATOM 21552 H2 TIP3 5186 14.012 -32.778 22.372 0.00 0.00 SOLV ATOM 21553 OH2 TIP3 5187 7.961 -33.239 22.879 0.00 0.00 SOLV ATOM 21554 H1 TIP3 5187 7.339 -33.950 22.580 0.00 0.00 SOLV ATOM 21555 H2 TIP3 5187 7.406 -32.468 23.102 0.00 0.00 SOLV ATOM 21556 OH2 TIP3 5188 17.078 -20.308 41.892 0.00 0.00 SOLV ATOM 21557 H1 TIP3 5188 16.453 -20.941 42.229 0.00 0.00 SOLV ATOM 21558 H2 TIP3 5188 17.409 -19.820 42.685 0.00 0.00 SOLV ATOM 21559 OH2 TIP3 5189 12.688 -14.075 38.232 0.00 0.00 SOLV ATOM 21560 H1 TIP3 5189 12.781 -13.087 38.261 0.00 0.00 SOLV ATOM 21561 H2 TIP3 5189 13.484 -14.379 38.698 0.00 0.00 SOLV ATOM 21562 OH2 TIP3 5190 10.030 -24.020 20.841 0.00 0.00 SOLV ATOM 21563 H1 TIP3 5190 9.516 -23.711 21.568 0.00 0.00 SOLV ATOM 21564 H2 TIP3 5190 10.896 -23.743 21.186 0.00 0.00 SOLV ATOM 21565 OH2 TIP3 5191 15.512 2.071 21.585 0.00 0.00 SOLV ATOM 21566 H1 TIP3 5191 14.992 2.658 20.996 0.00 0.00 SOLV ATOM 21567 H2 TIP3 5191 15.284 1.189 21.258 0.00 0.00 SOLV ATOM 21568 OH2 TIP3 5192 3.590 -22.151 50.333 0.00 0.00 SOLV ATOM 21569 H1 TIP3 5192 3.946 -21.799 51.164 0.00 0.00 SOLV ATOM 21570 H2 TIP3 5192 4.035 -21.591 49.594 0.00 0.00 SOLV ATOM 21571 OH2 TIP3 5193 -0.852 -11.449 53.685 0.00 0.00 SOLV ATOM 21572 H1 TIP3 5193 -0.527 -12.144 53.146 0.00 0.00 SOLV ATOM 21573 H2 TIP3 5193 -0.683 -11.750 54.612 0.00 0.00 SOLV ATOM 21574 OH2 TIP3 5194 10.250 -11.755 50.302 0.00 0.00 SOLV ATOM 21575 H1 TIP3 5194 9.306 -11.892 50.118 0.00 0.00 SOLV ATOM 21576 H2 TIP3 5194 10.605 -11.996 49.414 0.00 0.00 SOLV ATOM 21577 OH2 TIP3 5195 9.528 -6.901 44.695 0.00 0.00 SOLV ATOM 21578 H1 TIP3 5195 9.757 -5.966 44.843 0.00 0.00 SOLV ATOM 21579 H2 TIP3 5195 8.583 -7.091 44.844 0.00 0.00 SOLV ATOM 21580 OH2 TIP3 5196 -9.841 -28.276 47.503 0.00 0.00 SOLV ATOM 21581 H1 TIP3 5196 -10.549 -28.729 47.005 0.00 0.00 SOLV ATOM 21582 H2 TIP3 5196 -10.205 -28.035 48.315 0.00 0.00 SOLV ATOM 21583 OH2 TIP3 5197 11.839 -19.232 20.457 0.00 0.00 SOLV ATOM 21584 H1 TIP3 5197 12.026 -19.747 21.166 0.00 0.00 SOLV ATOM 21585 H2 TIP3 5197 12.723 -18.960 20.147 0.00 0.00 SOLV ATOM 21586 OH2 TIP3 5198 13.217 -8.303 38.216 0.00 0.00 SOLV ATOM 21587 H1 TIP3 5198 13.167 -9.044 37.566 0.00 0.00 SOLV ATOM 21588 H2 TIP3 5198 12.612 -8.600 38.929 0.00 0.00 SOLV ATOM 21589 OH2 TIP3 5199 9.227 -10.656 10.751 0.00 0.00 SOLV ATOM 21590 H1 TIP3 5199 10.180 -10.623 10.788 0.00 0.00 SOLV ATOM 21591 H2 TIP3 5199 8.973 -11.580 11.030 0.00 0.00 SOLV ATOM 21592 OH2 TIP3 5200 -5.016 -36.086 25.827 0.00 0.00 SOLV ATOM 21593 H1 TIP3 5200 -4.733 -37.017 25.741 0.00 0.00 SOLV ATOM 21594 H2 TIP3 5200 -5.870 -35.971 25.340 0.00 0.00 SOLV ATOM 21595 OH2 TIP3 5201 -0.913 -31.192 47.690 0.00 0.00 SOLV ATOM 21596 H1 TIP3 5201 -0.222 -30.481 47.804 0.00 0.00 SOLV ATOM 21597 H2 TIP3 5201 -0.581 -31.637 46.907 0.00 0.00 SOLV ATOM 21598 OH2 TIP3 5202 2.557 -29.114 42.816 0.00 0.00 SOLV ATOM 21599 H1 TIP3 5202 1.597 -28.961 43.007 0.00 0.00 SOLV ATOM 21600 H2 TIP3 5202 2.685 -29.415 41.887 0.00 0.00 SOLV ATOM 21601 OH2 TIP3 5203 -1.967 -28.271 49.699 0.00 0.00 SOLV ATOM 21602 H1 TIP3 5203 -1.268 -27.875 49.153 0.00 0.00 SOLV ATOM 21603 H2 TIP3 5203 -2.753 -28.228 49.118 0.00 0.00 SOLV ATOM 21604 OH2 TIP3 5204 -11.448 -27.988 11.994 0.00 0.00 SOLV ATOM 21605 H1 TIP3 5204 -10.863 -28.751 11.904 0.00 0.00 SOLV ATOM 21606 H2 TIP3 5204 -11.020 -27.542 12.698 0.00 0.00 SOLV ATOM 21607 OH2 TIP3 5205 14.505 -19.093 11.858 0.00 0.00 SOLV ATOM 21608 H1 TIP3 5205 15.397 -18.981 12.117 0.00 0.00 SOLV ATOM 21609 H2 TIP3 5205 14.249 -19.851 12.487 0.00 0.00 SOLV ATOM 21610 OH2 TIP3 5206 11.055 -20.365 14.195 0.00 0.00 SOLV ATOM 21611 H1 TIP3 5206 10.432 -21.155 14.321 0.00 0.00 SOLV ATOM 21612 H2 TIP3 5206 10.473 -19.649 14.343 0.00 0.00 SOLV ATOM 21613 OH2 TIP3 5207 -7.432 -21.146 48.862 0.00 0.00 SOLV ATOM 21614 H1 TIP3 5207 -6.995 -21.709 49.507 0.00 0.00 SOLV ATOM 21615 H2 TIP3 5207 -7.769 -20.413 49.379 0.00 0.00 SOLV ATOM 21616 OH2 TIP3 5208 -18.406 -12.710 13.824 0.00 0.00 SOLV ATOM 21617 H1 TIP3 5208 -17.495 -12.983 13.455 0.00 0.00 SOLV ATOM 21618 H2 TIP3 5208 -19.114 -13.258 13.364 0.00 0.00 SOLV ATOM 21619 OH2 TIP3 5209 3.137 -26.511 19.158 0.00 0.00 SOLV ATOM 21620 H1 TIP3 5209 2.629 -25.878 18.682 0.00 0.00 SOLV ATOM 21621 H2 TIP3 5209 3.926 -26.039 19.472 0.00 0.00 SOLV ATOM 21622 OH2 TIP3 5210 -1.192 9.454 27.234 0.00 0.00 SOLV ATOM 21623 H1 TIP3 5210 -0.847 10.364 27.386 0.00 0.00 SOLV ATOM 21624 H2 TIP3 5210 -2.166 9.588 27.260 0.00 0.00 SOLV ATOM 21625 OH2 TIP3 5211 19.849 -15.731 9.585 0.00 0.00 SOLV ATOM 21626 H1 TIP3 5211 20.115 -15.920 8.640 0.00 0.00 SOLV ATOM 21627 H2 TIP3 5211 19.172 -15.046 9.425 0.00 0.00 SOLV ATOM 21628 OH2 TIP3 5212 16.970 -8.294 14.341 0.00 0.00 SOLV ATOM 21629 H1 TIP3 5212 16.698 -7.582 15.012 0.00 0.00 SOLV ATOM 21630 H2 TIP3 5212 17.900 -8.457 14.608 0.00 0.00 SOLV ATOM 21631 OH2 TIP3 5213 -17.776 -16.705 34.733 0.00 0.00 SOLV ATOM 21632 H1 TIP3 5213 -16.965 -17.224 34.643 0.00 0.00 SOLV ATOM 21633 H2 TIP3 5213 -17.953 -16.610 35.630 0.00 0.00 SOLV ATOM 21634 OH2 TIP3 5214 17.496 -8.628 30.136 0.00 0.00 SOLV ATOM 21635 H1 TIP3 5214 17.589 -8.639 31.069 0.00 0.00 SOLV ATOM 21636 H2 TIP3 5214 17.462 -9.571 29.896 0.00 0.00 SOLV ATOM 21637 OH2 TIP3 5215 9.040 -27.381 29.618 0.00 0.00 SOLV ATOM 21638 H1 TIP3 5215 8.980 -26.510 30.144 0.00 0.00 SOLV ATOM 21639 H2 TIP3 5215 8.761 -27.144 28.709 0.00 0.00 SOLV ATOM 21640 OH2 TIP3 5216 -3.120 10.236 30.893 0.00 0.00 SOLV ATOM 21641 H1 TIP3 5216 -2.682 11.073 31.154 0.00 0.00 SOLV ATOM 21642 H2 TIP3 5216 -2.769 9.624 31.552 0.00 0.00 SOLV ATOM 21643 OH2 TIP3 5217 7.085 -29.896 41.765 0.00 0.00 SOLV ATOM 21644 H1 TIP3 5217 8.031 -30.115 41.855 0.00 0.00 SOLV ATOM 21645 H2 TIP3 5217 6.958 -29.932 40.811 0.00 0.00 SOLV ATOM 21646 OH2 TIP3 5218 13.436 -8.552 9.186 0.00 0.00 SOLV ATOM 21647 H1 TIP3 5218 12.840 -7.937 9.497 0.00 0.00 SOLV ATOM 21648 H2 TIP3 5218 13.476 -8.530 8.223 0.00 0.00 SOLV ATOM 21649 OH2 TIP3 5219 16.251 -8.261 9.901 0.00 0.00 SOLV ATOM 21650 H1 TIP3 5219 15.352 -8.166 9.552 0.00 0.00 SOLV ATOM 21651 H2 TIP3 5219 16.274 -7.626 10.653 0.00 0.00 SOLV ATOM 21652 OH2 TIP3 5220 9.253 -22.315 14.700 0.00 0.00 SOLV ATOM 21653 H1 TIP3 5220 8.883 -21.562 15.192 0.00 0.00 SOLV ATOM 21654 H2 TIP3 5220 9.107 -23.070 15.283 0.00 0.00 SOLV ATOM 21655 OH2 TIP3 5221 -8.331 -11.181 16.672 0.00 0.00 SOLV ATOM 21656 H1 TIP3 5221 -8.904 -10.444 16.359 0.00 0.00 SOLV ATOM 21657 H2 TIP3 5221 -7.655 -10.689 17.176 0.00 0.00 SOLV ATOM 21658 OH2 TIP3 5222 1.932 0.422 0.490 0.00 0.00 SOLV ATOM 21659 H1 TIP3 5222 2.771 0.649 0.735 0.00 0.00 SOLV ATOM 21660 H2 TIP3 5222 2.010 -0.528 0.282 0.00 0.00 SOLV ATOM 21661 OH2 TIP3 5223 0.214 -19.891 45.693 0.00 0.00 SOLV ATOM 21662 H1 TIP3 5223 0.181 -20.826 46.107 0.00 0.00 SOLV ATOM 21663 H2 TIP3 5223 -0.685 -19.742 45.523 0.00 0.00 SOLV ATOM 21664 OH2 TIP3 5224 3.666 13.413 13.582 0.00 0.00 SOLV ATOM 21665 H1 TIP3 5224 4.588 13.159 13.498 0.00 0.00 SOLV ATOM 21666 H2 TIP3 5224 3.490 12.959 14.447 0.00 0.00 SOLV ATOM 21667 OH2 TIP3 5225 -8.028 -22.379 55.547 0.00 0.00 SOLV ATOM 21668 H1 TIP3 5225 -7.377 -22.931 55.924 0.00 0.00 SOLV ATOM 21669 H2 TIP3 5225 -8.056 -22.583 54.603 0.00 0.00 SOLV ATOM 21670 OH2 TIP3 5226 2.220 19.579 8.499 0.00 0.00 SOLV ATOM 21671 H1 TIP3 5226 1.756 19.162 9.202 0.00 0.00 SOLV ATOM 21672 H2 TIP3 5226 2.078 20.504 8.778 0.00 0.00 SOLV ATOM 21673 OH2 TIP3 5227 13.802 -22.933 35.130 0.00 0.00 SOLV ATOM 21674 H1 TIP3 5227 14.712 -22.607 34.959 0.00 0.00 SOLV ATOM 21675 H2 TIP3 5227 13.306 -22.151 35.425 0.00 0.00 SOLV ATOM 21676 OH2 TIP3 5228 14.856 -5.046 11.406 0.00 0.00 SOLV ATOM 21677 H1 TIP3 5228 14.376 -4.749 10.600 0.00 0.00 SOLV ATOM 21678 H2 TIP3 5228 15.123 -4.205 11.848 0.00 0.00 SOLV ATOM 21679 OH2 TIP3 5229 -5.218 -15.619 46.364 0.00 0.00 SOLV ATOM 21680 H1 TIP3 5229 -4.468 -16.293 46.284 0.00 0.00 SOLV ATOM 21681 H2 TIP3 5229 -5.881 -16.084 45.899 0.00 0.00 SOLV ATOM 21682 OH2 TIP3 5230 23.731 -18.927 29.648 0.00 0.00 SOLV ATOM 21683 H1 TIP3 5230 24.057 -19.114 30.517 0.00 0.00 SOLV ATOM 21684 H2 TIP3 5230 23.130 -19.682 29.458 0.00 0.00 SOLV ATOM 21685 OH2 TIP3 5231 13.696 -23.898 17.441 0.00 0.00 SOLV ATOM 21686 H1 TIP3 5231 12.931 -24.290 17.895 0.00 0.00 SOLV ATOM 21687 H2 TIP3 5231 13.565 -24.292 16.622 0.00 0.00 SOLV ATOM 21688 OH2 TIP3 5232 17.276 -5.712 40.954 0.00 0.00 SOLV ATOM 21689 H1 TIP3 5232 17.045 -6.551 40.579 0.00 0.00 SOLV ATOM 21690 H2 TIP3 5232 16.895 -5.663 41.898 0.00 0.00 SOLV ATOM 21691 OH2 TIP3 5233 16.605 -8.135 35.632 0.00 0.00 SOLV ATOM 21692 H1 TIP3 5233 15.807 -8.705 35.438 0.00 0.00 SOLV ATOM 21693 H2 TIP3 5233 16.227 -7.625 36.423 0.00 0.00 SOLV ATOM 21694 OH2 TIP3 5234 10.169 -17.244 41.611 0.00 0.00 SOLV ATOM 21695 H1 TIP3 5234 10.871 -16.764 41.121 0.00 0.00 SOLV ATOM 21696 H2 TIP3 5234 9.402 -16.754 41.283 0.00 0.00 SOLV ATOM 21697 OH2 TIP3 5235 -11.413 -6.533 49.676 0.00 0.00 SOLV ATOM 21698 H1 TIP3 5235 -12.087 -6.070 50.233 0.00 0.00 SOLV ATOM 21699 H2 TIP3 5235 -10.593 -6.330 50.184 0.00 0.00 SOLV ATOM 21700 OH2 TIP3 5236 14.299 1.800 14.209 0.00 0.00 SOLV ATOM 21701 H1 TIP3 5236 14.912 2.360 13.609 0.00 0.00 SOLV ATOM 21702 H2 TIP3 5236 14.463 2.049 15.173 0.00 0.00 SOLV ATOM 21703 OH2 TIP3 5237 6.801 -14.762 47.493 0.00 0.00 SOLV ATOM 21704 H1 TIP3 5237 6.194 -14.006 47.608 0.00 0.00 SOLV ATOM 21705 H2 TIP3 5237 6.284 -15.541 47.664 0.00 0.00 SOLV ATOM 21706 OH2 TIP3 5238 -1.181 -6.269 42.228 0.00 0.00 SOLV ATOM 21707 H1 TIP3 5238 -1.421 -7.170 42.521 0.00 0.00 SOLV ATOM 21708 H2 TIP3 5238 -0.773 -6.445 41.393 0.00 0.00 SOLV ATOM 21709 OH2 TIP3 5239 20.928 -17.131 23.701 0.00 0.00 SOLV ATOM 21710 H1 TIP3 5239 21.726 -17.685 23.829 0.00 0.00 SOLV ATOM 21711 H2 TIP3 5239 21.371 -16.259 23.658 0.00 0.00 SOLV ATOM 21712 OH2 TIP3 5240 0.512 -13.756 5.269 0.00 0.00 SOLV ATOM 21713 H1 TIP3 5240 0.132 -14.177 6.079 0.00 0.00 SOLV ATOM 21714 H2 TIP3 5240 0.624 -12.849 5.619 0.00 0.00 SOLV ATOM 21715 OH2 TIP3 5241 21.214 -12.326 14.267 0.00 0.00 SOLV ATOM 21716 H1 TIP3 5241 20.734 -12.527 15.108 0.00 0.00 SOLV ATOM 21717 H2 TIP3 5241 20.568 -12.039 13.635 0.00 0.00 SOLV ATOM 21718 OH2 TIP3 5242 14.080 -15.551 29.235 0.00 0.00 SOLV ATOM 21719 H1 TIP3 5242 13.967 -15.462 28.317 0.00 0.00 SOLV ATOM 21720 H2 TIP3 5242 13.423 -16.276 29.250 0.00 0.00 SOLV ATOM 21721 OH2 TIP3 5243 18.249 -18.917 29.343 0.00 0.00 SOLV ATOM 21722 H1 TIP3 5243 19.105 -18.489 29.473 0.00 0.00 SOLV ATOM 21723 H2 TIP3 5243 17.639 -18.237 29.532 0.00 0.00 SOLV ATOM 21724 OH2 TIP3 5244 2.362 -4.641 40.037 0.00 0.00 SOLV ATOM 21725 H1 TIP3 5244 3.190 -4.102 39.955 0.00 0.00 SOLV ATOM 21726 H2 TIP3 5244 2.246 -4.499 40.988 0.00 0.00 SOLV ATOM 21727 OH2 TIP3 5245 13.428 1.034 26.943 0.00 0.00 SOLV ATOM 21728 H1 TIP3 5245 13.942 0.202 27.100 0.00 0.00 SOLV ATOM 21729 H2 TIP3 5245 13.293 0.934 25.936 0.00 0.00 SOLV ATOM 21730 OH2 TIP3 5246 -6.617 1.547 35.706 0.00 0.00 SOLV ATOM 21731 H1 TIP3 5246 -6.492 0.620 35.476 0.00 0.00 SOLV ATOM 21732 H2 TIP3 5246 -5.778 1.968 35.419 0.00 0.00 SOLV ATOM 21733 OH2 TIP3 5247 7.345 -17.879 48.049 0.00 0.00 SOLV ATOM 21734 H1 TIP3 5247 6.951 -18.278 48.803 0.00 0.00 SOLV ATOM 21735 H2 TIP3 5247 7.015 -18.449 47.310 0.00 0.00 SOLV ATOM 21736 OH2 TIP3 5248 14.137 5.334 41.896 0.00 0.00 SOLV ATOM 21737 H1 TIP3 5248 13.512 5.416 42.634 0.00 0.00 SOLV ATOM 21738 H2 TIP3 5248 14.838 4.759 42.238 0.00 0.00 SOLV ATOM 21739 OH2 TIP3 5249 4.304 -7.237 50.337 0.00 0.00 SOLV ATOM 21740 H1 TIP3 5249 3.705 -7.916 50.066 0.00 0.00 SOLV ATOM 21741 H2 TIP3 5249 4.003 -6.487 49.752 0.00 0.00 SOLV ATOM 21742 OH2 TIP3 5250 8.821 -9.476 8.290 0.00 0.00 SOLV ATOM 21743 H1 TIP3 5250 7.897 -9.836 7.944 0.00 0.00 SOLV ATOM 21744 H2 TIP3 5250 8.855 -9.873 9.199 0.00 0.00 SOLV ATOM 21745 OH2 TIP3 5251 10.420 14.386 25.040 0.00 0.00 SOLV ATOM 21746 H1 TIP3 5251 10.967 14.806 25.739 0.00 0.00 SOLV ATOM 21747 H2 TIP3 5251 9.798 13.880 25.545 0.00 0.00 SOLV ATOM 21748 OH2 TIP3 5252 3.810 9.578 37.989 0.00 0.00 SOLV ATOM 21749 H1 TIP3 5252 4.393 9.699 38.735 0.00 0.00 SOLV ATOM 21750 H2 TIP3 5252 3.104 10.212 38.114 0.00 0.00 SOLV ATOM 21751 OH2 TIP3 5253 18.474 7.560 27.895 0.00 0.00 SOLV ATOM 21752 H1 TIP3 5253 18.971 8.375 28.178 0.00 0.00 SOLV ATOM 21753 H2 TIP3 5253 17.761 7.559 28.518 0.00 0.00 SOLV ATOM 21754 OH2 TIP3 5254 -0.402 5.646 35.693 0.00 0.00 SOLV ATOM 21755 H1 TIP3 5254 -0.983 5.135 36.313 0.00 0.00 SOLV ATOM 21756 H2 TIP3 5254 -0.427 6.518 36.121 0.00 0.00 SOLV ATOM 21757 OH2 TIP3 5255 6.420 9.974 44.922 0.00 0.00 SOLV ATOM 21758 H1 TIP3 5255 6.831 9.764 44.089 0.00 0.00 SOLV ATOM 21759 H2 TIP3 5255 5.742 9.314 44.905 0.00 0.00 SOLV ATOM 21760 OH2 TIP3 5256 11.507 -10.645 45.692 0.00 0.00 SOLV ATOM 21761 H1 TIP3 5256 11.479 -10.433 46.641 0.00 0.00 SOLV ATOM 21762 H2 TIP3 5256 11.465 -9.771 45.254 0.00 0.00 SOLV ATOM 21763 OH2 TIP3 5257 0.666 4.278 46.966 0.00 0.00 SOLV ATOM 21764 H1 TIP3 5257 0.128 5.015 46.522 0.00 0.00 SOLV ATOM 21765 H2 TIP3 5257 0.012 3.852 47.559 0.00 0.00 SOLV ATOM 21766 OH2 TIP3 5258 11.024 -7.912 50.375 0.00 0.00 SOLV ATOM 21767 H1 TIP3 5258 10.807 -7.098 49.960 0.00 0.00 SOLV ATOM 21768 H2 TIP3 5258 10.221 -8.087 50.983 0.00 0.00 SOLV ATOM 21769 OH2 TIP3 5259 12.050 -15.278 47.247 0.00 0.00 SOLV ATOM 21770 H1 TIP3 5259 12.011 -16.221 47.201 0.00 0.00 SOLV ATOM 21771 H2 TIP3 5259 11.156 -15.058 47.521 0.00 0.00 SOLV ATOM 21772 OH2 TIP3 5260 1.457 -44.632 19.907 0.00 0.00 SOLV ATOM 21773 H1 TIP3 5260 1.139 -43.694 19.875 0.00 0.00 SOLV ATOM 21774 H2 TIP3 5260 2.209 -44.556 20.537 0.00 0.00 SOLV ATOM 21775 OH2 TIP3 5261 3.644 -39.291 10.603 0.00 0.00 SOLV ATOM 21776 H1 TIP3 5261 4.123 -39.302 11.473 0.00 0.00 SOLV ATOM 21777 H2 TIP3 5261 3.788 -40.252 10.276 0.00 0.00 SOLV ATOM 21778 OH2 TIP3 5262 -3.481 6.398 31.809 0.00 0.00 SOLV ATOM 21779 H1 TIP3 5262 -3.108 5.726 31.293 0.00 0.00 SOLV ATOM 21780 H2 TIP3 5262 -3.703 5.868 32.621 0.00 0.00 SOLV ATOM 21781 OH2 TIP3 5263 -10.467 0.742 31.325 0.00 0.00 SOLV ATOM 21782 H1 TIP3 5263 -10.254 1.252 32.094 0.00 0.00 SOLV ATOM 21783 H2 TIP3 5263 -10.715 -0.106 31.760 0.00 0.00 SOLV ATOM 21784 OH2 TIP3 5264 -12.734 2.458 31.020 0.00 0.00 SOLV ATOM 21785 H1 TIP3 5264 -13.038 1.665 31.503 0.00 0.00 SOLV ATOM 21786 H2 TIP3 5264 -11.867 2.150 30.862 0.00 0.00 SOLV ATOM 21787 OH2 TIP3 5265 -5.071 -5.989 46.136 0.00 0.00 SOLV ATOM 21788 H1 TIP3 5265 -4.855 -5.360 46.903 0.00 0.00 SOLV ATOM 21789 H2 TIP3 5265 -4.823 -6.848 46.475 0.00 0.00 SOLV ATOM 21790 OH2 TIP3 5266 16.376 12.531 39.368 0.00 0.00 SOLV ATOM 21791 H1 TIP3 5266 16.503 12.002 40.206 0.00 0.00 SOLV ATOM 21792 H2 TIP3 5266 17.231 12.891 39.147 0.00 0.00 SOLV ATOM 21793 OH2 TIP3 5267 2.715 -13.487 52.105 0.00 0.00 SOLV ATOM 21794 H1 TIP3 5267 2.464 -13.081 52.993 0.00 0.00 SOLV ATOM 21795 H2 TIP3 5267 3.139 -14.332 52.294 0.00 0.00 SOLV ATOM 21796 OH2 TIP3 5268 4.054 -8.220 54.905 0.00 0.00 SOLV ATOM 21797 H1 TIP3 5268 3.096 -8.102 54.806 0.00 0.00 SOLV ATOM 21798 H2 TIP3 5268 4.319 -7.358 55.201 0.00 0.00 SOLV ATOM 21799 OH2 TIP3 5269 23.612 2.072 21.760 0.00 0.00 SOLV ATOM 21800 H1 TIP3 5269 23.653 2.804 21.153 0.00 0.00 SOLV ATOM 21801 H2 TIP3 5269 22.711 1.652 21.606 0.00 0.00 SOLV ATOM 21802 OH2 TIP3 5270 -4.312 -44.729 24.677 0.00 0.00 SOLV ATOM 21803 H1 TIP3 5270 -4.107 -44.870 23.766 0.00 0.00 SOLV ATOM 21804 H2 TIP3 5270 -5.076 -45.267 24.864 0.00 0.00 SOLV ATOM 21805 OH2 TIP3 5271 8.180 13.950 26.401 0.00 0.00 SOLV ATOM 21806 H1 TIP3 5271 8.079 13.944 27.341 0.00 0.00 SOLV ATOM 21807 H2 TIP3 5271 8.018 14.863 26.186 0.00 0.00 SOLV ATOM 21808 OH2 TIP3 5272 -3.269 14.867 30.209 0.00 0.00 SOLV ATOM 21809 H1 TIP3 5272 -3.877 15.193 30.849 0.00 0.00 SOLV ATOM 21810 H2 TIP3 5272 -2.726 15.625 29.933 0.00 0.00 SOLV ATOM 21811 OH2 TIP3 5273 4.765 -1.922 46.309 0.00 0.00 SOLV ATOM 21812 H1 TIP3 5273 4.614 -2.325 45.364 0.00 0.00 SOLV ATOM 21813 H2 TIP3 5273 3.899 -1.670 46.698 0.00 0.00 SOLV ATOM 21814 OH2 TIP3 5274 -5.956 11.463 41.859 0.00 0.00 SOLV ATOM 21815 H1 TIP3 5274 -5.818 12.424 41.841 0.00 0.00 SOLV ATOM 21816 H2 TIP3 5274 -6.628 11.326 42.509 0.00 0.00 SOLV ATOM 21817 OH2 TIP3 5275 5.601 21.521 4.498 0.00 0.00 SOLV ATOM 21818 H1 TIP3 5275 4.956 22.234 4.666 0.00 0.00 SOLV ATOM 21819 H2 TIP3 5275 5.956 21.762 3.664 0.00 0.00 SOLV ATOM 21820 OH2 TIP3 5276 -8.537 15.398 24.134 0.00 0.00 SOLV ATOM 21821 H1 TIP3 5276 -8.115 15.202 24.999 0.00 0.00 SOLV ATOM 21822 H2 TIP3 5276 -9.348 14.994 24.194 0.00 0.00 SOLV ATOM 21823 OH2 TIP3 5277 -9.134 14.322 15.286 0.00 0.00 SOLV ATOM 21824 H1 TIP3 5277 -9.429 13.641 15.792 0.00 0.00 SOLV ATOM 21825 H2 TIP3 5277 -9.929 14.726 14.945 0.00 0.00 SOLV ATOM 21826 OH2 TIP3 5278 6.870 8.076 40.227 0.00 0.00 SOLV ATOM 21827 H1 TIP3 5278 7.120 8.738 39.586 0.00 0.00 SOLV ATOM 21828 H2 TIP3 5278 7.491 7.330 40.083 0.00 0.00 SOLV ATOM 21829 OH2 TIP3 5279 12.059 2.965 2.724 0.00 0.00 SOLV ATOM 21830 H1 TIP3 5279 12.504 2.092 2.954 0.00 0.00 SOLV ATOM 21831 H2 TIP3 5279 11.805 2.822 1.819 0.00 0.00 SOLV ATOM 21832 OH2 TIP3 5280 14.751 11.148 33.216 0.00 0.00 SOLV ATOM 21833 H1 TIP3 5280 15.664 11.002 32.814 0.00 0.00 SOLV ATOM 21834 H2 TIP3 5280 14.454 10.260 33.517 0.00 0.00 SOLV ATOM 21835 OH2 TIP3 5281 14.374 10.887 21.120 0.00 0.00 SOLV ATOM 21836 H1 TIP3 5281 14.214 9.919 21.403 0.00 0.00 SOLV ATOM 21837 H2 TIP3 5281 13.834 11.011 20.326 0.00 0.00 SOLV ATOM 21838 OH2 TIP3 5282 10.830 10.425 45.771 0.00 0.00 SOLV ATOM 21839 H1 TIP3 5282 10.043 10.303 46.274 0.00 0.00 SOLV ATOM 21840 H2 TIP3 5282 11.221 11.213 46.148 0.00 0.00 SOLV ATOM 21841 OH2 TIP3 5283 5.371 10.029 48.063 0.00 0.00 SOLV ATOM 21842 H1 TIP3 5283 5.051 9.172 48.435 0.00 0.00 SOLV ATOM 21843 H2 TIP3 5283 6.322 9.972 48.221 0.00 0.00 SOLV ATOM 21844 OH2 TIP3 5284 4.975 4.695 42.775 0.00 0.00 SOLV ATOM 21845 H1 TIP3 5284 5.637 4.717 43.454 0.00 0.00 SOLV ATOM 21846 H2 TIP3 5284 4.170 4.919 43.292 0.00 0.00 SOLV ATOM 21847 OH2 TIP3 5285 1.262 1.258 14.321 0.00 0.00 SOLV ATOM 21848 H1 TIP3 5285 1.535 1.968 13.761 0.00 0.00 SOLV ATOM 21849 H2 TIP3 5285 2.035 0.698 14.379 0.00 0.00 SOLV ATOM 21850 OH2 TIP3 5286 1.105 -38.258 17.289 0.00 0.00 SOLV ATOM 21851 H1 TIP3 5286 0.886 -37.911 16.398 0.00 0.00 SOLV ATOM 21852 H2 TIP3 5286 0.692 -37.683 17.971 0.00 0.00 SOLV ATOM 21853 OH2 TIP3 5287 -1.471 -38.441 29.089 0.00 0.00 SOLV ATOM 21854 H1 TIP3 5287 -1.589 -37.627 29.541 0.00 0.00 SOLV ATOM 21855 H2 TIP3 5287 -1.184 -38.096 28.142 0.00 0.00 SOLV ATOM 21856 OH2 TIP3 5288 -7.413 6.375 36.653 0.00 0.00 SOLV ATOM 21857 H1 TIP3 5288 -7.466 5.547 37.186 0.00 0.00 SOLV ATOM 21858 H2 TIP3 5288 -8.295 6.799 36.757 0.00 0.00 SOLV ATOM 21859 OH2 TIP3 5289 7.877 12.329 45.169 0.00 0.00 SOLV ATOM 21860 H1 TIP3 5289 7.317 11.507 45.150 0.00 0.00 SOLV ATOM 21861 H2 TIP3 5289 7.830 12.629 46.111 0.00 0.00 SOLV ATOM 21862 OH2 TIP3 5290 8.473 -15.283 40.217 0.00 0.00 SOLV ATOM 21863 H1 TIP3 5290 9.318 -14.831 40.048 0.00 0.00 SOLV ATOM 21864 H2 TIP3 5290 8.101 -14.695 40.911 0.00 0.00 SOLV ATOM 21865 OH2 TIP3 5291 8.659 3.514 44.578 0.00 0.00 SOLV ATOM 21866 H1 TIP3 5291 9.059 3.127 43.831 0.00 0.00 SOLV ATOM 21867 H2 TIP3 5291 8.855 2.852 45.315 0.00 0.00 SOLV ATOM 21868 OH2 TIP3 5292 15.204 -0.863 -2.246 0.00 0.00 SOLV ATOM 21869 H1 TIP3 5292 15.573 -1.785 -2.427 0.00 0.00 SOLV ATOM 21870 H2 TIP3 5292 15.678 -0.270 -2.829 0.00 0.00 SOLV ATOM 21871 OH2 TIP3 5293 -2.307 -38.105 20.957 0.00 0.00 SOLV ATOM 21872 H1 TIP3 5293 -2.816 -38.803 20.491 0.00 0.00 SOLV ATOM 21873 H2 TIP3 5293 -2.262 -38.454 21.836 0.00 0.00 SOLV ATOM 21874 OH2 TIP3 5294 8.994 15.605 30.846 0.00 0.00 SOLV ATOM 21875 H1 TIP3 5294 8.900 15.935 29.925 0.00 0.00 SOLV ATOM 21876 H2 TIP3 5294 8.491 14.797 30.774 0.00 0.00 SOLV ATOM 21877 OH2 TIP3 5295 16.430 10.893 41.584 0.00 0.00 SOLV ATOM 21878 H1 TIP3 5295 17.365 10.777 41.962 0.00 0.00 SOLV ATOM 21879 H2 TIP3 5295 16.383 10.068 41.019 0.00 0.00 SOLV ATOM 21880 OH2 TIP3 5296 -2.528 -36.555 14.571 0.00 0.00 SOLV ATOM 21881 H1 TIP3 5296 -2.341 -37.452 14.704 0.00 0.00 SOLV ATOM 21882 H2 TIP3 5296 -2.110 -36.387 13.702 0.00 0.00 SOLV ATOM 21883 OH2 TIP3 5297 10.522 16.136 21.158 0.00 0.00 SOLV ATOM 21884 H1 TIP3 5297 11.067 15.318 21.054 0.00 0.00 SOLV ATOM 21885 H2 TIP3 5297 9.803 15.904 21.795 0.00 0.00 SOLV ATOM 21886 OH2 TIP3 5298 0.120 -26.187 14.770 0.00 0.00 SOLV ATOM 21887 H1 TIP3 5298 -0.524 -26.330 14.091 0.00 0.00 SOLV ATOM 21888 H2 TIP3 5298 0.944 -25.869 14.292 0.00 0.00 SOLV ATOM 21889 OH2 TIP3 5299 -22.617 -4.804 24.874 0.00 0.00 SOLV ATOM 21890 H1 TIP3 5299 -22.610 -4.912 23.927 0.00 0.00 SOLV ATOM 21891 H2 TIP3 5299 -23.363 -5.332 25.164 0.00 0.00 SOLV ATOM 21892 OH2 TIP3 5300 14.240 -27.470 34.994 0.00 0.00 SOLV ATOM 21893 H1 TIP3 5300 13.413 -27.374 34.543 0.00 0.00 SOLV ATOM 21894 H2 TIP3 5300 14.523 -26.622 35.320 0.00 0.00 SOLV ATOM 21895 OH2 TIP3 5301 8.279 12.305 39.792 0.00 0.00 SOLV ATOM 21896 H1 TIP3 5301 8.766 11.454 39.618 0.00 0.00 SOLV ATOM 21897 H2 TIP3 5301 8.202 12.302 40.743 0.00 0.00 SOLV ATOM 21898 OH2 TIP3 5302 1.366 -23.112 48.757 0.00 0.00 SOLV ATOM 21899 H1 TIP3 5302 2.096 -22.756 49.281 0.00 0.00 SOLV ATOM 21900 H2 TIP3 5302 1.736 -23.842 48.204 0.00 0.00 SOLV ATOM 21901 OH2 TIP3 5303 18.108 -26.321 23.774 0.00 0.00 SOLV ATOM 21902 H1 TIP3 5303 17.866 -27.227 23.570 0.00 0.00 SOLV ATOM 21903 H2 TIP3 5303 18.810 -26.547 24.385 0.00 0.00 SOLV ATOM 21904 OH2 TIP3 5304 11.626 -6.266 9.324 0.00 0.00 SOLV ATOM 21905 H1 TIP3 5304 12.530 -6.017 9.411 0.00 0.00 SOLV ATOM 21906 H2 TIP3 5304 11.163 -5.468 9.228 0.00 0.00 SOLV ATOM 21907 OH2 TIP3 5305 12.262 4.364 39.478 0.00 0.00 SOLV ATOM 21908 H1 TIP3 5305 13.064 4.222 38.959 0.00 0.00 SOLV ATOM 21909 H2 TIP3 5305 12.287 3.532 40.044 0.00 0.00 SOLV ATOM 21910 OH2 TIP3 5306 4.808 -38.298 37.460 0.00 0.00 SOLV ATOM 21911 H1 TIP3 5306 4.719 -38.272 38.452 0.00 0.00 SOLV ATOM 21912 H2 TIP3 5306 4.049 -38.866 37.208 0.00 0.00 SOLV ATOM 21913 OH2 TIP3 5307 13.583 -24.603 37.951 0.00 0.00 SOLV ATOM 21914 H1 TIP3 5307 13.315 -25.256 38.573 0.00 0.00 SOLV ATOM 21915 H2 TIP3 5307 12.971 -24.809 37.201 0.00 0.00 SOLV ATOM 21916 OH2 TIP3 5308 -3.185 -42.426 21.375 0.00 0.00 SOLV ATOM 21917 H1 TIP3 5308 -4.025 -41.898 21.319 0.00 0.00 SOLV ATOM 21918 H2 TIP3 5308 -2.477 -41.863 21.492 0.00 0.00 SOLV ATOM 21919 OH2 TIP3 5309 1.369 -33.716 25.245 0.00 0.00 SOLV ATOM 21920 H1 TIP3 5309 1.930 -34.382 24.892 0.00 0.00 SOLV ATOM 21921 H2 TIP3 5309 0.496 -34.150 25.218 0.00 0.00 SOLV ATOM 21922 OH2 TIP3 5310 5.809 9.485 -19.625 0.00 0.00 SOLV ATOM 21923 H1 TIP3 5310 6.663 9.037 -19.971 0.00 0.00 SOLV ATOM 21924 H2 TIP3 5310 5.524 8.893 -18.980 0.00 0.00 SOLV ATOM 21925 OH2 TIP3 5311 3.311 -36.150 31.658 0.00 0.00 SOLV ATOM 21926 H1 TIP3 5311 3.632 -36.191 30.776 0.00 0.00 SOLV ATOM 21927 H2 TIP3 5311 4.088 -35.892 32.203 0.00 0.00 SOLV ATOM 21928 OH2 TIP3 5312 -2.727 -20.062 45.701 0.00 0.00 SOLV ATOM 21929 H1 TIP3 5312 -3.391 -20.785 45.764 0.00 0.00 SOLV ATOM 21930 H2 TIP3 5312 -2.368 -20.257 44.801 0.00 0.00 SOLV ATOM 21931 OH2 TIP3 5313 -24.702 -26.235 22.366 0.00 0.00 SOLV ATOM 21932 H1 TIP3 5313 -24.906 -26.980 21.837 0.00 0.00 SOLV ATOM 21933 H2 TIP3 5313 -23.737 -26.295 22.447 0.00 0.00 SOLV ATOM 21934 OH2 TIP3 5314 16.564 -27.775 12.684 0.00 0.00 SOLV ATOM 21935 H1 TIP3 5314 16.930 -27.195 12.025 0.00 0.00 SOLV ATOM 21936 H2 TIP3 5314 15.964 -28.376 12.147 0.00 0.00 SOLV ATOM 21937 OH2 TIP3 5315 7.662 -26.861 25.840 0.00 0.00 SOLV ATOM 21938 H1 TIP3 5315 8.325 -26.602 26.570 0.00 0.00 SOLV ATOM 21939 H2 TIP3 5315 6.864 -26.428 26.092 0.00 0.00 SOLV ATOM 21940 OH2 TIP3 5316 4.200 -17.400 3.667 0.00 0.00 SOLV ATOM 21941 H1 TIP3 5316 4.566 -17.068 2.879 0.00 0.00 SOLV ATOM 21942 H2 TIP3 5316 4.989 -17.516 4.193 0.00 0.00 SOLV ATOM 21943 OH2 TIP3 5317 -6.198 -24.865 44.479 0.00 0.00 SOLV ATOM 21944 H1 TIP3 5317 -6.835 -24.158 44.579 0.00 0.00 SOLV ATOM 21945 H2 TIP3 5317 -5.314 -24.369 44.443 0.00 0.00 SOLV ATOM 21946 OH2 TIP3 5318 13.905 -25.226 26.049 0.00 0.00 SOLV ATOM 21947 H1 TIP3 5318 13.358 -25.986 25.923 0.00 0.00 SOLV ATOM 21948 H2 TIP3 5318 14.386 -25.113 25.195 0.00 0.00 SOLV ATOM 21949 OH2 TIP3 5319 15.425 -23.851 11.456 0.00 0.00 SOLV ATOM 21950 H1 TIP3 5319 14.610 -23.966 12.008 0.00 0.00 SOLV ATOM 21951 H2 TIP3 5319 15.139 -23.194 10.764 0.00 0.00 SOLV ATOM 21952 OH2 TIP3 5320 2.125 -34.036 13.545 0.00 0.00 SOLV ATOM 21953 H1 TIP3 5320 1.629 -33.443 14.128 0.00 0.00 SOLV ATOM 21954 H2 TIP3 5320 3.009 -33.898 13.970 0.00 0.00 SOLV ATOM 21955 OH2 TIP3 5321 1.404 -28.567 25.480 0.00 0.00 SOLV ATOM 21956 H1 TIP3 5321 0.554 -28.035 25.633 0.00 0.00 SOLV ATOM 21957 H2 TIP3 5321 1.058 -29.372 25.077 0.00 0.00 SOLV ATOM 21958 OH2 TIP3 5322 2.267 -33.384 37.788 0.00 0.00 SOLV ATOM 21959 H1 TIP3 5322 2.384 -33.431 36.790 0.00 0.00 SOLV ATOM 21960 H2 TIP3 5322 1.722 -34.153 38.049 0.00 0.00 SOLV ATOM 21961 OH2 TIP3 5323 11.007 -35.655 34.090 0.00 0.00 SOLV ATOM 21962 H1 TIP3 5323 11.123 -35.923 33.218 0.00 0.00 SOLV ATOM 21963 H2 TIP3 5323 11.489 -36.331 34.577 0.00 0.00 SOLV ATOM 21964 OH2 TIP3 5324 9.662 -22.677 36.572 0.00 0.00 SOLV ATOM 21965 H1 TIP3 5324 8.758 -22.973 36.475 0.00 0.00 SOLV ATOM 21966 H2 TIP3 5324 9.612 -21.750 36.626 0.00 0.00 SOLV ATOM 21967 OH2 TIP3 5325 1.909 -36.582 41.417 0.00 0.00 SOLV ATOM 21968 H1 TIP3 5325 2.049 -37.065 40.549 0.00 0.00 SOLV ATOM 21969 H2 TIP3 5325 2.797 -36.453 41.633 0.00 0.00 SOLV ATOM 21970 OH2 TIP3 5326 10.277 -26.832 38.334 0.00 0.00 SOLV ATOM 21971 H1 TIP3 5326 9.593 -26.281 38.815 0.00 0.00 SOLV ATOM 21972 H2 TIP3 5326 9.785 -27.326 37.687 0.00 0.00 SOLV ATOM 21973 OH2 TIP3 5327 5.225 -26.988 46.660 0.00 0.00 SOLV ATOM 21974 H1 TIP3 5327 5.534 -27.123 47.576 0.00 0.00 SOLV ATOM 21975 H2 TIP3 5327 4.782 -27.852 46.511 0.00 0.00 SOLV ATOM 21976 OH2 TIP3 5328 16.438 -16.487 9.591 0.00 0.00 SOLV ATOM 21977 H1 TIP3 5328 16.662 -15.727 10.059 0.00 0.00 SOLV ATOM 21978 H2 TIP3 5328 16.358 -16.253 8.668 0.00 0.00 SOLV ATOM 21979 OH2 TIP3 5329 10.054 -39.955 14.028 0.00 0.00 SOLV ATOM 21980 H1 TIP3 5329 9.530 -39.147 13.829 0.00 0.00 SOLV ATOM 21981 H2 TIP3 5329 9.386 -40.508 14.436 0.00 0.00 SOLV ATOM 21982 OH2 TIP3 5330 -0.825 -33.944 7.835 0.00 0.00 SOLV ATOM 21983 H1 TIP3 5330 -1.750 -33.776 8.042 0.00 0.00 SOLV ATOM 21984 H2 TIP3 5330 -0.396 -33.537 8.567 0.00 0.00 SOLV ATOM 21985 OH2 TIP3 5331 18.555 -23.469 28.382 0.00 0.00 SOLV ATOM 21986 H1 TIP3 5331 17.790 -23.928 28.009 0.00 0.00 SOLV ATOM 21987 H2 TIP3 5331 18.693 -22.618 27.910 0.00 0.00 SOLV ATOM 21988 OH2 TIP3 5332 -0.409 -32.121 12.715 0.00 0.00 SOLV ATOM 21989 H1 TIP3 5332 -0.335 -32.442 13.598 0.00 0.00 SOLV ATOM 21990 H2 TIP3 5332 -0.080 -31.165 12.759 0.00 0.00 SOLV ATOM 21991 OH2 TIP3 5333 17.282 -21.284 25.372 0.00 0.00 SOLV ATOM 21992 H1 TIP3 5333 17.990 -21.084 26.005 0.00 0.00 SOLV ATOM 21993 H2 TIP3 5333 17.459 -22.215 25.131 0.00 0.00 SOLV ATOM 21994 OH2 TIP3 5334 16.653 -16.550 20.805 0.00 0.00 SOLV ATOM 21995 H1 TIP3 5334 17.369 -16.857 21.372 0.00 0.00 SOLV ATOM 21996 H2 TIP3 5334 16.969 -16.801 19.912 0.00 0.00 SOLV ATOM 21997 OH2 TIP3 5335 16.246 -26.410 9.992 0.00 0.00 SOLV ATOM 21998 H1 TIP3 5335 15.901 -25.554 10.223 0.00 0.00 SOLV ATOM 21999 H2 TIP3 5335 17.045 -26.269 9.490 0.00 0.00 SOLV ATOM 22000 OH2 TIP3 5336 13.934 -27.316 31.476 0.00 0.00 SOLV ATOM 22001 H1 TIP3 5336 13.868 -26.517 31.995 0.00 0.00 SOLV ATOM 22002 H2 TIP3 5336 13.190 -27.821 31.846 0.00 0.00 SOLV ATOM 22003 OH2 TIP3 5337 3.183 -31.850 48.682 0.00 0.00 SOLV ATOM 22004 H1 TIP3 5337 2.964 -31.165 48.018 0.00 0.00 SOLV ATOM 22005 H2 TIP3 5337 2.938 -31.366 49.476 0.00 0.00 SOLV ATOM 22006 OH2 TIP3 5338 12.191 -30.900 42.722 0.00 0.00 SOLV ATOM 22007 H1 TIP3 5338 12.057 -30.094 43.321 0.00 0.00 SOLV ATOM 22008 H2 TIP3 5338 13.125 -30.820 42.489 0.00 0.00 SOLV ATOM 22009 OH2 TIP3 5339 0.277 -22.671 46.410 0.00 0.00 SOLV ATOM 22010 H1 TIP3 5339 1.021 -23.049 45.772 0.00 0.00 SOLV ATOM 22011 H2 TIP3 5339 0.636 -22.785 47.332 0.00 0.00 SOLV ATOM 22012 OH2 TIP3 5340 7.536 -31.895 10.084 0.00 0.00 SOLV ATOM 22013 H1 TIP3 5340 7.064 -32.696 10.347 0.00 0.00 SOLV ATOM 22014 H2 TIP3 5340 6.862 -31.544 9.464 0.00 0.00 SOLV ATOM 22015 OH2 TIP3 5341 17.491 -16.220 12.776 0.00 0.00 SOLV ATOM 22016 H1 TIP3 5341 16.527 -16.259 13.005 0.00 0.00 SOLV ATOM 22017 H2 TIP3 5341 17.695 -16.981 12.284 0.00 0.00 SOLV ATOM 22018 OH2 TIP3 5342 14.148 -31.795 33.847 0.00 0.00 SOLV ATOM 22019 H1 TIP3 5342 13.684 -31.267 33.181 0.00 0.00 SOLV ATOM 22020 H2 TIP3 5342 14.186 -32.641 33.403 0.00 0.00 SOLV ATOM 22021 OH2 TIP3 5343 -5.824 -33.030 20.480 0.00 0.00 SOLV ATOM 22022 H1 TIP3 5343 -6.750 -32.922 20.148 0.00 0.00 SOLV ATOM 22023 H2 TIP3 5343 -5.958 -32.491 21.343 0.00 0.00 SOLV ATOM 22024 OH2 TIP3 5344 6.112 -29.808 25.776 0.00 0.00 SOLV ATOM 22025 H1 TIP3 5344 7.010 -30.135 25.806 0.00 0.00 SOLV ATOM 22026 H2 TIP3 5344 6.168 -29.042 26.415 0.00 0.00 SOLV ATOM 22027 OH2 TIP3 5345 12.512 -36.867 20.675 0.00 0.00 SOLV ATOM 22028 H1 TIP3 5345 11.770 -37.028 21.234 0.00 0.00 SOLV ATOM 22029 H2 TIP3 5345 12.105 -36.751 19.779 0.00 0.00 SOLV ATOM 22030 OH2 TIP3 5346 -9.755 -25.279 48.981 0.00 0.00 SOLV ATOM 22031 H1 TIP3 5346 -9.104 -25.448 48.265 0.00 0.00 SOLV ATOM 22032 H2 TIP3 5346 -10.322 -26.080 48.972 0.00 0.00 SOLV ATOM 22033 OH2 TIP3 5347 6.767 -6.071 39.018 0.00 0.00 SOLV ATOM 22034 H1 TIP3 5347 6.589 -6.071 39.993 0.00 0.00 SOLV ATOM 22035 H2 TIP3 5347 7.507 -5.461 39.009 0.00 0.00 SOLV ATOM 22036 OH2 TIP3 5348 19.392 -17.266 21.386 0.00 0.00 SOLV ATOM 22037 H1 TIP3 5348 19.922 -17.279 20.517 0.00 0.00 SOLV ATOM 22038 H2 TIP3 5348 20.070 -16.973 22.024 0.00 0.00 SOLV ATOM 22039 OH2 TIP3 5349 11.035 -25.204 24.071 0.00 0.00 SOLV ATOM 22040 H1 TIP3 5349 10.581 -26.010 24.267 0.00 0.00 SOLV ATOM 22041 H2 TIP3 5349 11.493 -25.401 23.237 0.00 0.00 SOLV ATOM 22042 OH2 TIP3 5350 -3.895 -33.977 18.686 0.00 0.00 SOLV ATOM 22043 H1 TIP3 5350 -3.477 -34.616 19.269 0.00 0.00 SOLV ATOM 22044 H2 TIP3 5350 -4.781 -33.813 19.115 0.00 0.00 SOLV ATOM 22045 OH2 TIP3 5351 2.462 -28.490 21.389 0.00 0.00 SOLV ATOM 22046 H1 TIP3 5351 2.756 -27.906 20.708 0.00 0.00 SOLV ATOM 22047 H2 TIP3 5351 3.257 -28.609 21.989 0.00 0.00 SOLV ATOM 22048 OH2 TIP3 5352 14.440 -22.337 9.218 0.00 0.00 SOLV ATOM 22049 H1 TIP3 5352 14.243 -23.269 9.105 0.00 0.00 SOLV ATOM 22050 H2 TIP3 5352 13.586 -21.860 8.996 0.00 0.00 SOLV ATOM 22051 OH2 TIP3 5353 -2.388 -24.130 46.728 0.00 0.00 SOLV ATOM 22052 H1 TIP3 5353 -1.449 -23.902 46.624 0.00 0.00 SOLV ATOM 22053 H2 TIP3 5353 -2.432 -24.339 47.688 0.00 0.00 SOLV ATOM 22054 OH2 TIP3 5354 11.724 -13.868 13.832 0.00 0.00 SOLV ATOM 22055 H1 TIP3 5354 12.628 -13.793 14.051 0.00 0.00 SOLV ATOM 22056 H2 TIP3 5354 11.577 -13.447 12.979 0.00 0.00 SOLV ATOM 22057 OH2 TIP3 5355 4.929 -12.914 39.807 0.00 0.00 SOLV ATOM 22058 H1 TIP3 5355 5.411 -12.325 39.258 0.00 0.00 SOLV ATOM 22059 H2 TIP3 5355 5.608 -13.466 40.230 0.00 0.00 SOLV ATOM 22060 OH2 TIP3 5356 15.219 -24.121 42.608 0.00 0.00 SOLV ATOM 22061 H1 TIP3 5356 14.653 -23.340 42.615 0.00 0.00 SOLV ATOM 22062 H2 TIP3 5356 15.920 -23.750 42.056 0.00 0.00 SOLV ATOM 22063 OH2 TIP3 5357 9.395 -14.646 47.328 0.00 0.00 SOLV ATOM 22064 H1 TIP3 5357 8.848 -13.888 47.078 0.00 0.00 SOLV ATOM 22065 H2 TIP3 5357 8.783 -15.341 47.324 0.00 0.00 SOLV ATOM 22066 OH2 TIP3 5358 21.777 -17.576 38.763 0.00 0.00 SOLV ATOM 22067 H1 TIP3 5358 22.214 -18.078 39.432 0.00 0.00 SOLV ATOM 22068 H2 TIP3 5358 21.302 -16.936 39.278 0.00 0.00 SOLV ATOM 22069 OH2 TIP3 5359 5.419 -34.247 42.611 0.00 0.00 SOLV ATOM 22070 H1 TIP3 5359 6.284 -34.557 42.764 0.00 0.00 SOLV ATOM 22071 H2 TIP3 5359 5.280 -33.623 43.356 0.00 0.00 SOLV ATOM 22072 OH2 TIP3 5360 11.560 -29.650 45.194 0.00 0.00 SOLV ATOM 22073 H1 TIP3 5360 11.986 -30.425 45.608 0.00 0.00 SOLV ATOM 22074 H2 TIP3 5360 12.284 -29.000 45.239 0.00 0.00 SOLV ATOM 22075 OH2 TIP3 5361 5.275 4.039 2.428 0.00 0.00 SOLV ATOM 22076 H1 TIP3 5361 6.250 4.352 2.347 0.00 0.00 SOLV ATOM 22077 H2 TIP3 5361 4.965 4.062 1.512 0.00 0.00 SOLV ATOM 22078 OH2 TIP3 5362 14.655 -27.477 21.100 0.00 0.00 SOLV ATOM 22079 H1 TIP3 5362 14.499 -26.718 20.483 0.00 0.00 SOLV ATOM 22080 H2 TIP3 5362 13.823 -27.950 20.989 0.00 0.00 SOLV ATOM 22081 OH2 TIP3 5363 12.309 -23.351 22.017 0.00 0.00 SOLV ATOM 22082 H1 TIP3 5363 12.368 -22.431 22.301 0.00 0.00 SOLV ATOM 22083 H2 TIP3 5363 13.246 -23.663 22.157 0.00 0.00 SOLV ATOM 22084 OH2 TIP3 5364 -8.728 -13.597 43.471 0.00 0.00 SOLV ATOM 22085 H1 TIP3 5364 -9.077 -14.353 42.960 0.00 0.00 SOLV ATOM 22086 H2 TIP3 5364 -8.419 -14.016 44.264 0.00 0.00 SOLV ATOM 22087 OH2 TIP3 5365 4.542 -32.931 17.822 0.00 0.00 SOLV ATOM 22088 H1 TIP3 5365 4.150 -32.026 17.580 0.00 0.00 SOLV ATOM 22089 H2 TIP3 5365 5.494 -32.758 17.749 0.00 0.00 SOLV ATOM 22090 OH2 TIP3 5366 11.722 -31.198 25.028 0.00 0.00 SOLV ATOM 22091 H1 TIP3 5366 12.445 -31.872 24.989 0.00 0.00 SOLV ATOM 22092 H2 TIP3 5366 11.416 -31.078 24.092 0.00 0.00 SOLV ATOM 22093 OH2 TIP3 5367 8.572 -4.024 39.111 0.00 0.00 SOLV ATOM 22094 H1 TIP3 5367 8.305 -3.219 39.634 0.00 0.00 SOLV ATOM 22095 H2 TIP3 5367 8.242 -3.765 38.232 0.00 0.00 SOLV ATOM 22096 OH2 TIP3 5368 -12.413 -23.084 46.053 0.00 0.00 SOLV ATOM 22097 H1 TIP3 5368 -12.887 -23.179 45.277 0.00 0.00 SOLV ATOM 22098 H2 TIP3 5368 -11.504 -22.939 45.812 0.00 0.00 SOLV ATOM 22099 OH2 TIP3 5369 5.974 -28.982 38.999 0.00 0.00 SOLV ATOM 22100 H1 TIP3 5369 5.892 -28.303 38.292 0.00 0.00 SOLV ATOM 22101 H2 TIP3 5369 6.857 -28.714 39.395 0.00 0.00 SOLV ATOM 22102 OH2 TIP3 5370 5.036 -28.192 42.622 0.00 0.00 SOLV ATOM 22103 H1 TIP3 5370 5.580 -28.637 41.965 0.00 0.00 SOLV ATOM 22104 H2 TIP3 5370 4.192 -28.705 42.537 0.00 0.00 SOLV ATOM 22105 OH2 TIP3 5371 -0.605 -23.872 51.178 0.00 0.00 SOLV ATOM 22106 H1 TIP3 5371 -0.965 -24.761 51.280 0.00 0.00 SOLV ATOM 22107 H2 TIP3 5371 0.068 -24.016 50.557 0.00 0.00 SOLV ATOM 22108 OH2 TIP3 5372 13.290 -16.907 44.352 0.00 0.00 SOLV ATOM 22109 H1 TIP3 5372 13.800 -16.179 44.031 0.00 0.00 SOLV ATOM 22110 H2 TIP3 5372 12.529 -16.810 43.740 0.00 0.00 SOLV ATOM 22111 OH2 TIP3 5373 18.411 15.101 -22.902 0.00 0.00 SOLV ATOM 22112 H1 TIP3 5373 17.986 15.717 -22.310 0.00 0.00 SOLV ATOM 22113 H2 TIP3 5373 18.935 15.690 -23.541 0.00 0.00 SOLV ATOM 22114 OH2 TIP3 5374 22.013 -11.130 19.544 0.00 0.00 SOLV ATOM 22115 H1 TIP3 5374 21.965 -12.099 19.753 0.00 0.00 SOLV ATOM 22116 H2 TIP3 5374 22.469 -11.097 18.630 0.00 0.00 SOLV ATOM 22117 OH2 TIP3 5375 0.593 -11.314 6.532 0.00 0.00 SOLV ATOM 22118 H1 TIP3 5375 0.249 -11.917 7.237 0.00 0.00 SOLV ATOM 22119 H2 TIP3 5375 1.110 -10.701 7.098 0.00 0.00 SOLV ATOM 22120 OH2 TIP3 5376 16.053 -24.823 27.974 0.00 0.00 SOLV ATOM 22121 H1 TIP3 5376 15.364 -24.848 27.245 0.00 0.00 SOLV ATOM 22122 H2 TIP3 5376 16.035 -25.683 28.340 0.00 0.00 SOLV ATOM 22123 OH2 TIP3 5377 7.522 -0.087 30.175 0.00 0.00 SOLV ATOM 22124 H1 TIP3 5377 7.401 0.739 30.674 0.00 0.00 SOLV ATOM 22125 H2 TIP3 5377 8.330 -0.005 29.626 0.00 0.00 SOLV ATOM 22126 OH2 TIP3 5378 20.018 -21.667 42.981 0.00 0.00 SOLV ATOM 22127 H1 TIP3 5378 20.396 -21.924 43.846 0.00 0.00 SOLV ATOM 22128 H2 TIP3 5378 19.116 -21.420 43.258 0.00 0.00 SOLV ATOM 22129 OH2 TIP3 5379 7.709 -1.647 32.623 0.00 0.00 SOLV ATOM 22130 H1 TIP3 5379 7.661 -1.145 31.724 0.00 0.00 SOLV ATOM 22131 H2 TIP3 5379 7.769 -0.971 33.328 0.00 0.00 SOLV ATOM 22132 OH2 TIP3 5380 11.846 -1.929 9.298 0.00 0.00 SOLV ATOM 22133 H1 TIP3 5380 12.758 -1.606 9.585 0.00 0.00 SOLV ATOM 22134 H2 TIP3 5380 11.369 -1.116 9.295 0.00 0.00 SOLV ATOM 22135 OH2 TIP3 5381 5.233 -32.541 44.723 0.00 0.00 SOLV ATOM 22136 H1 TIP3 5381 6.076 -32.093 44.618 0.00 0.00 SOLV ATOM 22137 H2 TIP3 5381 5.252 -32.762 45.656 0.00 0.00 SOLV ATOM 22138 OH2 TIP3 5382 10.618 -20.265 50.056 0.00 0.00 SOLV ATOM 22139 H1 TIP3 5382 11.567 -20.368 49.844 0.00 0.00 SOLV ATOM 22140 H2 TIP3 5382 10.239 -21.068 49.561 0.00 0.00 SOLV ATOM 22141 OH2 TIP3 5383 11.135 -5.895 14.207 0.00 0.00 SOLV ATOM 22142 H1 TIP3 5383 10.570 -6.141 14.948 0.00 0.00 SOLV ATOM 22143 H2 TIP3 5383 10.466 -5.908 13.457 0.00 0.00 SOLV ATOM 22144 OH2 TIP3 5384 22.788 -10.495 26.115 0.00 0.00 SOLV ATOM 22145 H1 TIP3 5384 22.939 -9.676 26.555 0.00 0.00 SOLV ATOM 22146 H2 TIP3 5384 22.488 -11.061 26.835 0.00 0.00 SOLV ATOM 22147 OH2 TIP3 5385 7.125 -9.517 -9.579 0.00 0.00 SOLV ATOM 22148 H1 TIP3 5385 8.015 -9.869 -9.548 0.00 0.00 SOLV ATOM 22149 H2 TIP3 5385 7.095 -9.097 -10.425 0.00 0.00 SOLV ATOM 22150 OH2 TIP3 5386 17.430 -2.426 21.843 0.00 0.00 SOLV ATOM 22151 H1 TIP3 5386 17.150 -2.168 22.722 0.00 0.00 SOLV ATOM 22152 H2 TIP3 5386 16.958 -3.328 21.713 0.00 0.00 SOLV ATOM 22153 OH2 TIP3 5387 2.830 -27.826 27.894 0.00 0.00 SOLV ATOM 22154 H1 TIP3 5387 2.319 -28.171 27.092 0.00 0.00 SOLV ATOM 22155 H2 TIP3 5387 2.556 -28.369 28.648 0.00 0.00 SOLV ATOM 22156 OH2 TIP3 5388 16.391 -28.022 32.961 0.00 0.00 SOLV ATOM 22157 H1 TIP3 5388 16.723 -28.952 32.704 0.00 0.00 SOLV ATOM 22158 H2 TIP3 5388 15.454 -28.054 33.305 0.00 0.00 SOLV ATOM 22159 OH2 TIP3 5389 4.410 -16.867 46.474 0.00 0.00 SOLV ATOM 22160 H1 TIP3 5389 4.778 -16.866 45.616 0.00 0.00 SOLV ATOM 22161 H2 TIP3 5389 4.817 -17.707 46.852 0.00 0.00 SOLV ATOM 22162 OH2 TIP3 5390 10.201 -9.129 18.284 0.00 0.00 SOLV ATOM 22163 H1 TIP3 5390 9.461 -9.253 17.684 0.00 0.00 SOLV ATOM 22164 H2 TIP3 5390 10.441 -10.065 18.465 0.00 0.00 SOLV ATOM 22165 OH2 TIP3 5391 7.018 -20.256 49.436 0.00 0.00 SOLV ATOM 22166 H1 TIP3 5391 6.541 -20.961 48.938 0.00 0.00 SOLV ATOM 22167 H2 TIP3 5391 7.713 -20.743 49.889 0.00 0.00 SOLV ATOM 22168 OH2 TIP3 5392 5.280 -5.509 45.960 0.00 0.00 SOLV ATOM 22169 H1 TIP3 5392 4.830 -6.286 46.358 0.00 0.00 SOLV ATOM 22170 H2 TIP3 5392 4.730 -5.326 45.181 0.00 0.00 SOLV ATOM 22171 OH2 TIP3 5393 2.763 -24.925 47.276 0.00 0.00 SOLV ATOM 22172 H1 TIP3 5393 3.310 -25.699 47.602 0.00 0.00 SOLV ATOM 22173 H2 TIP3 5393 3.100 -24.786 46.369 0.00 0.00 SOLV ATOM 22174 OH2 TIP3 5394 -5.901 -27.868 15.860 0.00 0.00 SOLV ATOM 22175 H1 TIP3 5394 -6.549 -28.367 16.421 0.00 0.00 SOLV ATOM 22176 H2 TIP3 5394 -6.273 -27.910 14.950 0.00 0.00 SOLV ATOM 22177 OH2 TIP3 5395 14.891 -3.096 16.099 0.00 0.00 SOLV ATOM 22178 H1 TIP3 5395 15.505 -2.847 15.328 0.00 0.00 SOLV ATOM 22179 H2 TIP3 5395 14.059 -3.164 15.696 0.00 0.00 SOLV ATOM 22180 OH2 TIP3 5396 -16.907 -24.778 14.887 0.00 0.00 SOLV ATOM 22181 H1 TIP3 5396 -16.309 -25.509 14.687 0.00 0.00 SOLV ATOM 22182 H2 TIP3 5396 -17.404 -24.783 14.032 0.00 0.00 SOLV ATOM 22183 OH2 TIP3 5397 14.794 -16.067 16.204 0.00 0.00 SOLV ATOM 22184 H1 TIP3 5397 14.751 -15.357 15.573 0.00 0.00 SOLV ATOM 22185 H2 TIP3 5397 15.669 -16.416 16.050 0.00 0.00 SOLV ATOM 22186 OH2 TIP3 5398 5.951 -7.825 47.691 0.00 0.00 SOLV ATOM 22187 H1 TIP3 5398 5.518 -7.642 48.571 0.00 0.00 SOLV ATOM 22188 H2 TIP3 5398 6.288 -8.711 47.806 0.00 0.00 SOLV ATOM 22189 OH2 TIP3 5399 14.875 0.093 41.553 0.00 0.00 SOLV ATOM 22190 H1 TIP3 5399 15.442 -0.099 40.778 0.00 0.00 SOLV ATOM 22191 H2 TIP3 5399 14.735 -0.746 41.953 0.00 0.00 SOLV ATOM 22192 OH2 TIP3 5400 1.084 0.672 49.165 0.00 0.00 SOLV ATOM 22193 H1 TIP3 5400 0.567 1.067 48.470 0.00 0.00 SOLV ATOM 22194 H2 TIP3 5400 1.243 1.351 49.889 0.00 0.00 SOLV ATOM 22195 OH2 TIP3 5401 9.187 -4.985 48.915 0.00 0.00 SOLV ATOM 22196 H1 TIP3 5401 8.281 -4.834 48.632 0.00 0.00 SOLV ATOM 22197 H2 TIP3 5401 9.092 -4.835 49.883 0.00 0.00 SOLV ATOM 22198 OH2 TIP3 5402 6.215 -17.359 44.299 0.00 0.00 SOLV ATOM 22199 H1 TIP3 5402 6.258 -18.193 44.829 0.00 0.00 SOLV ATOM 22200 H2 TIP3 5402 7.155 -17.146 44.176 0.00 0.00 SOLV ATOM 22201 OH2 TIP3 5403 0.475 -17.377 3.695 0.00 0.00 SOLV ATOM 22202 H1 TIP3 5403 0.996 -16.539 3.960 0.00 0.00 SOLV ATOM 22203 H2 TIP3 5403 -0.357 -17.186 4.050 0.00 0.00 SOLV ATOM 22204 OH2 TIP3 5404 11.977 3.304 27.585 0.00 0.00 SOLV ATOM 22205 H1 TIP3 5404 12.486 2.538 27.402 0.00 0.00 SOLV ATOM 22206 H2 TIP3 5404 11.422 3.384 26.740 0.00 0.00 SOLV ATOM 22207 OH2 TIP3 5405 15.703 -4.425 21.534 0.00 0.00 SOLV ATOM 22208 H1 TIP3 5405 15.737 -5.155 22.157 0.00 0.00 SOLV ATOM 22209 H2 TIP3 5405 14.892 -4.501 21.057 0.00 0.00 SOLV ATOM 22210 OH2 TIP3 5406 14.542 -8.133 21.314 0.00 0.00 SOLV ATOM 22211 H1 TIP3 5406 14.008 -8.941 21.433 0.00 0.00 SOLV ATOM 22212 H2 TIP3 5406 15.365 -8.565 20.916 0.00 0.00 SOLV ATOM 22213 OH2 TIP3 5407 17.211 -16.075 40.750 0.00 0.00 SOLV ATOM 22214 H1 TIP3 5407 17.061 -15.906 41.720 0.00 0.00 SOLV ATOM 22215 H2 TIP3 5407 18.132 -16.159 40.671 0.00 0.00 SOLV ATOM 22216 OH2 TIP3 5408 13.564 -10.857 21.338 0.00 0.00 SOLV ATOM 22217 H1 TIP3 5408 12.817 -11.532 21.395 0.00 0.00 SOLV ATOM 22218 H2 TIP3 5408 14.229 -11.477 21.678 0.00 0.00 SOLV ATOM 22219 OH2 TIP3 5409 9.600 -22.298 44.625 0.00 0.00 SOLV ATOM 22220 H1 TIP3 5409 10.266 -21.594 44.801 0.00 0.00 SOLV ATOM 22221 H2 TIP3 5409 9.659 -22.823 45.487 0.00 0.00 SOLV ATOM 22222 OH2 TIP3 5410 9.503 -24.114 42.438 0.00 0.00 SOLV ATOM 22223 H1 TIP3 5410 9.518 -23.315 42.993 0.00 0.00 SOLV ATOM 22224 H2 TIP3 5410 8.540 -24.287 42.352 0.00 0.00 SOLV ATOM 22225 OH2 TIP3 5411 18.878 -6.225 10.051 0.00 0.00 SOLV ATOM 22226 H1 TIP3 5411 18.415 -6.357 10.876 0.00 0.00 SOLV ATOM 22227 H2 TIP3 5411 18.280 -5.614 9.581 0.00 0.00 SOLV ATOM 22228 OH2 TIP3 5412 18.004 -6.218 19.890 0.00 0.00 SOLV ATOM 22229 H1 TIP3 5412 18.211 -5.392 20.359 0.00 0.00 SOLV ATOM 22230 H2 TIP3 5412 18.447 -6.847 20.545 0.00 0.00 SOLV ATOM 22231 OH2 TIP3 5413 24.282 10.275 21.592 0.00 0.00 SOLV ATOM 22232 H1 TIP3 5413 24.975 9.957 20.997 0.00 0.00 SOLV ATOM 22233 H2 TIP3 5413 23.970 11.048 21.069 0.00 0.00 SOLV ATOM 22234 OH2 TIP3 5414 19.452 -3.642 27.785 0.00 0.00 SOLV ATOM 22235 H1 TIP3 5414 19.948 -3.572 27.011 0.00 0.00 SOLV ATOM 22236 H2 TIP3 5414 19.272 -4.611 27.875 0.00 0.00 SOLV ATOM 22237 OH2 TIP3 5415 13.459 -0.206 32.601 0.00 0.00 SOLV ATOM 22238 H1 TIP3 5415 12.706 -0.788 32.356 0.00 0.00 SOLV ATOM 22239 H2 TIP3 5415 13.561 0.341 31.806 0.00 0.00 SOLV ATOM 22240 OH2 TIP3 5416 -22.623 -17.847 27.872 0.00 0.00 SOLV ATOM 22241 H1 TIP3 5416 -21.895 -17.950 28.517 0.00 0.00 SOLV ATOM 22242 H2 TIP3 5416 -22.570 -18.671 27.445 0.00 0.00 SOLV ATOM 22243 OH2 TIP3 5417 7.237 -18.799 12.394 0.00 0.00 SOLV ATOM 22244 H1 TIP3 5417 6.870 -19.662 12.668 0.00 0.00 SOLV ATOM 22245 H2 TIP3 5417 7.948 -18.688 13.060 0.00 0.00 SOLV ATOM 22246 OH2 TIP3 5418 7.091 -2.032 39.696 0.00 0.00 SOLV ATOM 22247 H1 TIP3 5418 7.364 -1.570 40.476 0.00 0.00 SOLV ATOM 22248 H2 TIP3 5418 6.679 -1.316 39.166 0.00 0.00 SOLV ATOM 22249 OH2 TIP3 5419 5.064 -23.617 28.320 0.00 0.00 SOLV ATOM 22250 H1 TIP3 5419 5.797 -23.208 28.798 0.00 0.00 SOLV ATOM 22251 H2 TIP3 5419 4.265 -23.411 28.899 0.00 0.00 SOLV ATOM 22252 OH2 TIP3 5420 0.632 -29.574 12.333 0.00 0.00 SOLV ATOM 22253 H1 TIP3 5420 1.417 -29.493 11.740 0.00 0.00 SOLV ATOM 22254 H2 TIP3 5420 0.111 -28.739 12.084 0.00 0.00 SOLV ATOM 22255 OH2 TIP3 5421 -0.666 -5.233 -5.803 0.00 0.00 SOLV ATOM 22256 H1 TIP3 5421 -0.101 -6.069 -5.713 0.00 0.00 SOLV ATOM 22257 H2 TIP3 5421 -1.043 -5.278 -6.693 0.00 0.00 SOLV ATOM 22258 OH2 TIP3 5422 14.551 -8.334 24.167 0.00 0.00 SOLV ATOM 22259 H1 TIP3 5422 14.515 -8.472 23.227 0.00 0.00 SOLV ATOM 22260 H2 TIP3 5422 15.382 -8.747 24.512 0.00 0.00 SOLV ATOM 22261 OH2 TIP3 5423 17.203 10.167 32.370 0.00 0.00 SOLV ATOM 22262 H1 TIP3 5423 17.804 9.620 33.022 0.00 0.00 SOLV ATOM 22263 H2 TIP3 5423 17.729 10.540 31.657 0.00 0.00 SOLV ATOM 22264 OH2 TIP3 5424 18.065 2.678 38.625 0.00 0.00 SOLV ATOM 22265 H1 TIP3 5424 18.977 2.480 38.875 0.00 0.00 SOLV ATOM 22266 H2 TIP3 5424 18.209 2.879 37.717 0.00 0.00 SOLV ATOM 22267 OH2 TIP3 5425 -7.946 19.839 1.951 0.00 0.00 SOLV ATOM 22268 H1 TIP3 5425 -7.643 20.366 1.281 0.00 0.00 SOLV ATOM 22269 H2 TIP3 5425 -7.788 19.012 1.569 0.00 0.00 SOLV ATOM 22270 OH2 TIP3 5426 16.263 -1.883 24.296 0.00 0.00 SOLV ATOM 22271 H1 TIP3 5426 16.652 -1.528 25.080 0.00 0.00 SOLV ATOM 22272 H2 TIP3 5426 15.355 -2.143 24.448 0.00 0.00 SOLV ATOM 22273 OH2 TIP3 5427 16.572 -6.275 33.557 0.00 0.00 SOLV ATOM 22274 H1 TIP3 5427 16.522 -6.866 34.304 0.00 0.00 SOLV ATOM 22275 H2 TIP3 5427 17.380 -6.504 33.014 0.00 0.00 SOLV ATOM 22276 OH2 TIP3 5428 3.421 14.759 45.854 0.00 0.00 SOLV ATOM 22277 H1 TIP3 5428 3.411 14.071 45.115 0.00 0.00 SOLV ATOM 22278 H2 TIP3 5428 3.783 14.248 46.577 0.00 0.00 SOLV ATOM 22279 OH2 TIP3 5429 7.525 -0.419 36.173 0.00 0.00 SOLV ATOM 22280 H1 TIP3 5429 7.539 -1.400 36.271 0.00 0.00 SOLV ATOM 22281 H2 TIP3 5429 7.306 -0.018 37.045 0.00 0.00 SOLV ATOM 22282 OH2 TIP3 5430 4.530 8.631 41.696 0.00 0.00 SOLV ATOM 22283 H1 TIP3 5430 4.956 8.114 42.444 0.00 0.00 SOLV ATOM 22284 H2 TIP3 5430 5.278 8.803 41.170 0.00 0.00 SOLV ATOM 22285 OH2 TIP3 5431 9.412 9.970 39.473 0.00 0.00 SOLV ATOM 22286 H1 TIP3 5431 10.117 9.717 40.026 0.00 0.00 SOLV ATOM 22287 H2 TIP3 5431 9.504 9.345 38.760 0.00 0.00 SOLV ATOM 22288 OH2 TIP3 5432 23.429 14.373 29.253 0.00 0.00 SOLV ATOM 22289 H1 TIP3 5432 23.708 15.234 29.578 0.00 0.00 SOLV ATOM 22290 H2 TIP3 5432 23.558 14.381 28.302 0.00 0.00 SOLV ATOM 22291 OH2 TIP3 5433 8.428 -7.184 36.186 0.00 0.00 SOLV ATOM 22292 H1 TIP3 5433 8.870 -7.200 37.012 0.00 0.00 SOLV ATOM 22293 H2 TIP3 5433 7.663 -6.686 36.329 0.00 0.00 SOLV ATOM 22294 OH2 TIP3 5434 -5.906 13.846 19.338 0.00 0.00 SOLV ATOM 22295 H1 TIP3 5434 -6.357 13.000 19.347 0.00 0.00 SOLV ATOM 22296 H2 TIP3 5434 -5.085 13.483 19.801 0.00 0.00 SOLV ATOM 22297 OH2 TIP3 5435 1.662 -23.085 6.770 0.00 0.00 SOLV ATOM 22298 H1 TIP3 5435 1.723 -23.375 5.848 0.00 0.00 SOLV ATOM 22299 H2 TIP3 5435 2.102 -22.231 6.720 0.00 0.00 SOLV ATOM 22300 OH2 TIP3 5436 19.199 -5.991 24.408 0.00 0.00 SOLV ATOM 22301 H1 TIP3 5436 19.987 -5.543 23.938 0.00 0.00 SOLV ATOM 22302 H2 TIP3 5436 19.485 -5.972 25.367 0.00 0.00 SOLV ATOM 22303 OH2 TIP3 5437 8.008 16.315 45.044 0.00 0.00 SOLV ATOM 22304 H1 TIP3 5437 8.286 15.947 45.883 0.00 0.00 SOLV ATOM 22305 H2 TIP3 5437 8.385 15.738 44.371 0.00 0.00 SOLV ATOM 22306 OH2 TIP3 5438 14.664 11.498 43.764 0.00 0.00 SOLV ATOM 22307 H1 TIP3 5438 15.297 11.282 43.081 0.00 0.00 SOLV ATOM 22308 H2 TIP3 5438 13.905 10.988 43.509 0.00 0.00 SOLV ATOM 22309 OH2 TIP3 5439 8.586 15.489 22.679 0.00 0.00 SOLV ATOM 22310 H1 TIP3 5439 8.460 15.627 23.648 0.00 0.00 SOLV ATOM 22311 H2 TIP3 5439 8.308 14.581 22.543 0.00 0.00 SOLV ATOM 22312 OH2 TIP3 5440 11.755 -10.327 48.224 0.00 0.00 SOLV ATOM 22313 H1 TIP3 5440 12.497 -10.744 48.663 0.00 0.00 SOLV ATOM 22314 H2 TIP3 5440 11.486 -9.710 48.953 0.00 0.00 SOLV ATOM 22315 OH2 TIP3 5441 12.104 17.082 10.871 0.00 0.00 SOLV ATOM 22316 H1 TIP3 5441 11.492 17.635 11.489 0.00 0.00 SOLV ATOM 22317 H2 TIP3 5441 12.182 16.326 11.373 0.00 0.00 SOLV ATOM 22318 OH2 TIP3 5442 -4.363 -45.038 20.593 0.00 0.00 SOLV ATOM 22319 H1 TIP3 5442 -3.918 -44.250 20.965 0.00 0.00 SOLV ATOM 22320 H2 TIP3 5442 -3.877 -45.088 19.703 0.00 0.00 SOLV ATOM 22321 OH2 TIP3 5443 -2.501 15.499 20.406 0.00 0.00 SOLV ATOM 22322 H1 TIP3 5443 -2.368 16.290 20.922 0.00 0.00 SOLV ATOM 22323 H2 TIP3 5443 -1.808 14.872 20.809 0.00 0.00 SOLV ATOM 22324 OH2 TIP3 5444 13.794 -3.091 25.156 0.00 0.00 SOLV ATOM 22325 H1 TIP3 5444 13.645 -4.009 25.410 0.00 0.00 SOLV ATOM 22326 H2 TIP3 5444 13.501 -3.017 24.226 0.00 0.00 SOLV ATOM 22327 OH2 TIP3 5445 17.511 5.815 42.136 0.00 0.00 SOLV ATOM 22328 H1 TIP3 5445 17.065 5.517 41.334 0.00 0.00 SOLV ATOM 22329 H2 TIP3 5445 17.373 5.140 42.788 0.00 0.00 SOLV ATOM 22330 OH2 TIP3 5446 23.304 -5.194 18.199 0.00 0.00 SOLV ATOM 22331 H1 TIP3 5446 24.146 -4.904 18.385 0.00 0.00 SOLV ATOM 22332 H2 TIP3 5446 22.846 -5.253 19.048 0.00 0.00 SOLV ATOM 22333 OH2 TIP3 5447 18.140 10.218 36.448 0.00 0.00 SOLV ATOM 22334 H1 TIP3 5447 18.403 9.232 36.321 0.00 0.00 SOLV ATOM 22335 H2 TIP3 5447 18.163 10.190 37.403 0.00 0.00 SOLV ATOM 22336 OH2 TIP3 5448 9.917 -0.062 38.077 0.00 0.00 SOLV ATOM 22337 H1 TIP3 5448 10.480 -0.534 37.481 0.00 0.00 SOLV ATOM 22338 H2 TIP3 5448 9.547 0.619 37.500 0.00 0.00 SOLV ATOM 22339 OH2 TIP3 5449 0.101 10.209 44.773 0.00 0.00 SOLV ATOM 22340 H1 TIP3 5449 0.500 10.758 44.028 0.00 0.00 SOLV ATOM 22341 H2 TIP3 5449 0.836 9.702 45.143 0.00 0.00 SOLV ATOM 22342 OH2 TIP3 5450 -14.606 -5.606 39.454 0.00 0.00 SOLV ATOM 22343 H1 TIP3 5450 -14.699 -5.724 40.423 0.00 0.00 SOLV ATOM 22344 H2 TIP3 5450 -13.839 -6.120 39.275 0.00 0.00 SOLV ATOM 22345 OH2 TIP3 5451 14.464 2.174 43.899 0.00 0.00 SOLV ATOM 22346 H1 TIP3 5451 13.854 2.031 44.587 0.00 0.00 SOLV ATOM 22347 H2 TIP3 5451 14.518 1.381 43.366 0.00 0.00 SOLV ATOM 22348 OH2 TIP3 5452 10.507 15.780 15.244 0.00 0.00 SOLV ATOM 22349 H1 TIP3 5452 10.335 16.636 14.876 0.00 0.00 SOLV ATOM 22350 H2 TIP3 5452 11.413 15.476 14.943 0.00 0.00 SOLV ATOM 22351 OH2 TIP3 5453 0.617 -10.027 -7.084 0.00 0.00 SOLV ATOM 22352 H1 TIP3 5453 1.540 -10.202 -6.796 0.00 0.00 SOLV ATOM 22353 H2 TIP3 5453 0.536 -10.517 -7.944 0.00 0.00 SOLV ATOM 22354 OH2 TIP3 5454 8.210 -27.661 13.708 0.00 0.00 SOLV ATOM 22355 H1 TIP3 5454 7.842 -28.078 12.932 0.00 0.00 SOLV ATOM 22356 H2 TIP3 5454 7.722 -28.064 14.440 0.00 0.00 SOLV ATOM 22357 OH2 TIP3 5455 5.062 14.378 40.982 0.00 0.00 SOLV ATOM 22358 H1 TIP3 5455 5.122 14.500 41.931 0.00 0.00 SOLV ATOM 22359 H2 TIP3 5455 5.780 14.898 40.585 0.00 0.00 SOLV ATOM 22360 OH2 TIP3 5456 9.760 -34.045 29.717 0.00 0.00 SOLV ATOM 22361 H1 TIP3 5456 9.799 -34.732 29.058 0.00 0.00 SOLV ATOM 22362 H2 TIP3 5456 8.827 -33.960 29.919 0.00 0.00 SOLV ATOM 22363 OH2 TIP3 5457 -2.452 15.977 39.439 0.00 0.00 SOLV ATOM 22364 H1 TIP3 5457 -2.201 16.347 38.534 0.00 0.00 SOLV ATOM 22365 H2 TIP3 5457 -3.355 16.275 39.571 0.00 0.00 SOLV ATOM 22366 OH2 TIP3 5458 -22.931 15.449 13.572 0.00 0.00 SOLV ATOM 22367 H1 TIP3 5458 -23.688 15.053 14.016 0.00 0.00 SOLV ATOM 22368 H2 TIP3 5458 -22.229 15.251 14.165 0.00 0.00 SOLV ATOM 22369 OH2 TIP3 5459 22.055 7.925 35.992 0.00 0.00 SOLV ATOM 22370 H1 TIP3 5459 22.733 7.483 36.455 0.00 0.00 SOLV ATOM 22371 H2 TIP3 5459 22.582 8.405 35.256 0.00 0.00 SOLV ATOM 22372 OH2 TIP3 5460 19.053 9.027 21.688 0.00 0.00 SOLV ATOM 22373 H1 TIP3 5460 19.663 8.303 21.857 0.00 0.00 SOLV ATOM 22374 H2 TIP3 5460 18.725 9.141 22.586 0.00 0.00 SOLV ATOM 22375 OH2 TIP3 5461 13.750 15.751 19.349 0.00 0.00 SOLV ATOM 22376 H1 TIP3 5461 14.041 15.081 18.718 0.00 0.00 SOLV ATOM 22377 H2 TIP3 5461 13.314 15.215 19.963 0.00 0.00 SOLV ATOM 22378 OH2 TIP3 5462 -16.937 19.346 -3.100 0.00 0.00 SOLV ATOM 22379 H1 TIP3 5462 -17.673 19.158 -2.505 0.00 0.00 SOLV ATOM 22380 H2 TIP3 5462 -16.690 20.206 -2.835 0.00 0.00 SOLV ATOM 22381 OH2 TIP3 5463 20.131 15.168 13.024 0.00 0.00 SOLV ATOM 22382 H1 TIP3 5463 19.173 15.112 13.258 0.00 0.00 SOLV ATOM 22383 H2 TIP3 5463 20.195 16.073 12.783 0.00 0.00 SOLV ATOM 22384 OH2 TIP3 5464 -7.524 -44.160 16.281 0.00 0.00 SOLV ATOM 22385 H1 TIP3 5464 -7.104 -44.340 17.094 0.00 0.00 SOLV ATOM 22386 H2 TIP3 5464 -7.771 -45.074 16.090 0.00 0.00 SOLV ATOM 22387 OH2 TIP3 5465 -7.332 -8.962 8.018 0.00 0.00 SOLV ATOM 22388 H1 TIP3 5465 -7.381 -8.508 8.894 0.00 0.00 SOLV ATOM 22389 H2 TIP3 5465 -8.152 -9.493 8.053 0.00 0.00 SOLV ATOM 22390 OH2 TIP3 5466 23.593 -0.447 15.795 0.00 0.00 SOLV ATOM 22391 H1 TIP3 5466 23.739 -1.173 16.430 0.00 0.00 SOLV ATOM 22392 H2 TIP3 5466 23.894 -0.734 14.959 0.00 0.00 SOLV ATOM 22393 OH2 TIP3 5467 14.016 11.676 -6.386 0.00 0.00 SOLV ATOM 22394 H1 TIP3 5467 14.421 10.774 -6.323 0.00 0.00 SOLV ATOM 22395 H2 TIP3 5467 13.085 11.475 -6.113 0.00 0.00 SOLV ATOM 22396 OH2 TIP3 5468 10.610 -36.014 11.404 0.00 0.00 SOLV ATOM 22397 H1 TIP3 5468 10.537 -35.127 11.843 0.00 0.00 SOLV ATOM 22398 H2 TIP3 5468 11.464 -35.965 11.052 0.00 0.00 SOLV ATOM 22399 OH2 TIP3 5469 2.649 11.445 15.379 0.00 0.00 SOLV ATOM 22400 H1 TIP3 5469 2.519 10.518 15.538 0.00 0.00 SOLV ATOM 22401 H2 TIP3 5469 1.874 11.829 15.812 0.00 0.00 SOLV ATOM 22402 OH2 TIP3 5470 -8.001 -39.993 28.659 0.00 0.00 SOLV ATOM 22403 H1 TIP3 5470 -8.510 -40.055 27.804 0.00 0.00 SOLV ATOM 22404 H2 TIP3 5470 -8.177 -40.900 29.035 0.00 0.00 SOLV ATOM 22405 OH2 TIP3 5471 -4.236 10.095 28.313 0.00 0.00 SOLV ATOM 22406 H1 TIP3 5471 -3.671 10.091 29.186 0.00 0.00 SOLV ATOM 22407 H2 TIP3 5471 -4.327 10.976 28.149 0.00 0.00 SOLV ATOM 22408 OH2 TIP3 5472 -17.803 -32.384 15.484 0.00 0.00 SOLV ATOM 22409 H1 TIP3 5472 -17.049 -32.451 14.873 0.00 0.00 SOLV ATOM 22410 H2 TIP3 5472 -17.368 -32.578 16.363 0.00 0.00 SOLV ATOM 22411 OH2 TIP3 5473 19.179 -24.163 17.518 0.00 0.00 SOLV ATOM 22412 H1 TIP3 5473 18.918 -23.332 17.184 0.00 0.00 SOLV ATOM 22413 H2 TIP3 5473 18.566 -24.350 18.275 0.00 0.00 SOLV ATOM 22414 OH2 TIP3 5474 -18.841 -19.420 24.599 0.00 0.00 SOLV ATOM 22415 H1 TIP3 5474 -18.685 -18.514 24.216 0.00 0.00 SOLV ATOM 22416 H2 TIP3 5474 -19.832 -19.425 24.581 0.00 0.00 SOLV ATOM 22417 OH2 TIP3 5475 16.249 -20.707 32.550 0.00 0.00 SOLV ATOM 22418 H1 TIP3 5475 17.012 -20.983 32.037 0.00 0.00 SOLV ATOM 22419 H2 TIP3 5475 15.974 -19.849 32.202 0.00 0.00 SOLV ATOM 22420 OH2 TIP3 5476 -4.625 -32.108 16.029 0.00 0.00 SOLV ATOM 22421 H1 TIP3 5476 -4.598 -33.050 15.862 0.00 0.00 SOLV ATOM 22422 H2 TIP3 5476 -4.001 -31.626 15.405 0.00 0.00 SOLV ATOM 22423 OH2 TIP3 5477 9.030 -32.313 18.756 0.00 0.00 SOLV ATOM 22424 H1 TIP3 5477 8.695 -31.462 18.759 0.00 0.00 SOLV ATOM 22425 H2 TIP3 5477 9.711 -32.279 19.434 0.00 0.00 SOLV ATOM 22426 OH2 TIP3 5478 16.336 -23.393 21.624 0.00 0.00 SOLV ATOM 22427 H1 TIP3 5478 17.285 -23.191 21.731 0.00 0.00 SOLV ATOM 22428 H2 TIP3 5478 15.909 -22.642 22.014 0.00 0.00 SOLV ATOM 22429 OH2 TIP3 5479 12.648 -26.879 39.539 0.00 0.00 SOLV ATOM 22430 H1 TIP3 5479 11.812 -27.083 39.084 0.00 0.00 SOLV ATOM 22431 H2 TIP3 5479 12.311 -26.524 40.404 0.00 0.00 SOLV ATOM 22432 OH2 TIP3 5480 -3.168 -17.411 45.075 0.00 0.00 SOLV ATOM 22433 H1 TIP3 5480 -3.131 -18.361 45.356 0.00 0.00 SOLV ATOM 22434 H2 TIP3 5480 -3.952 -17.406 44.494 0.00 0.00 SOLV ATOM 22435 OH2 TIP3 5481 12.251 -33.155 27.717 0.00 0.00 SOLV ATOM 22436 H1 TIP3 5481 12.260 -33.586 26.882 0.00 0.00 SOLV ATOM 22437 H2 TIP3 5481 11.285 -33.145 27.881 0.00 0.00 SOLV ATOM 22438 OH2 TIP3 5482 18.010 -27.157 30.858 0.00 0.00 SOLV ATOM 22439 H1 TIP3 5482 17.237 -26.952 30.308 0.00 0.00 SOLV ATOM 22440 H2 TIP3 5482 17.639 -27.535 31.686 0.00 0.00 SOLV ATOM 22441 OH2 TIP3 5483 15.993 -22.309 38.368 0.00 0.00 SOLV ATOM 22442 H1 TIP3 5483 15.258 -22.937 38.169 0.00 0.00 SOLV ATOM 22443 H2 TIP3 5483 15.884 -21.675 37.653 0.00 0.00 SOLV ATOM 22444 OH2 TIP3 5484 10.397 -29.166 31.100 0.00 0.00 SOLV ATOM 22445 H1 TIP3 5484 9.915 -28.416 30.830 0.00 0.00 SOLV ATOM 22446 H2 TIP3 5484 9.663 -29.724 31.474 0.00 0.00 SOLV ATOM 22447 OH2 TIP3 5485 -1.026 -34.947 26.443 0.00 0.00 SOLV ATOM 22448 H1 TIP3 5485 -1.684 -35.427 25.892 0.00 0.00 SOLV ATOM 22449 H2 TIP3 5485 -1.598 -34.571 27.033 0.00 0.00 SOLV ATOM 22450 OH2 TIP3 5486 2.659 -31.658 44.599 0.00 0.00 SOLV ATOM 22451 H1 TIP3 5486 2.309 -31.430 43.716 0.00 0.00 SOLV ATOM 22452 H2 TIP3 5486 3.336 -32.260 44.431 0.00 0.00 SOLV ATOM 22453 OH2 TIP3 5487 17.798 -27.755 18.392 0.00 0.00 SOLV ATOM 22454 H1 TIP3 5487 17.616 -26.831 18.739 0.00 0.00 SOLV ATOM 22455 H2 TIP3 5487 17.604 -28.266 19.170 0.00 0.00 SOLV ATOM 22456 OH2 TIP3 5488 7.335 -6.273 42.336 0.00 0.00 SOLV ATOM 22457 H1 TIP3 5488 6.710 -6.861 42.707 0.00 0.00 SOLV ATOM 22458 H2 TIP3 5488 7.119 -5.415 42.670 0.00 0.00 SOLV ATOM 22459 OH2 TIP3 5489 18.659 -30.341 35.415 0.00 0.00 SOLV ATOM 22460 H1 TIP3 5489 17.747 -30.081 35.389 0.00 0.00 SOLV ATOM 22461 H2 TIP3 5489 18.671 -31.213 34.973 0.00 0.00 SOLV ATOM 22462 OH2 TIP3 5490 3.577 -29.660 40.332 0.00 0.00 SOLV ATOM 22463 H1 TIP3 5490 3.608 -30.541 40.566 0.00 0.00 SOLV ATOM 22464 H2 TIP3 5490 4.223 -29.564 39.619 0.00 0.00 SOLV ATOM 22465 OH2 TIP3 5491 -10.930 -7.913 -7.044 0.00 0.00 SOLV ATOM 22466 H1 TIP3 5491 -10.592 -8.810 -6.918 0.00 0.00 SOLV ATOM 22467 H2 TIP3 5491 -11.480 -8.043 -7.838 0.00 0.00 SOLV ATOM 22468 OH2 TIP3 5492 6.025 -32.463 13.483 0.00 0.00 SOLV ATOM 22469 H1 TIP3 5492 6.678 -31.766 13.615 0.00 0.00 SOLV ATOM 22470 H2 TIP3 5492 5.329 -32.108 12.900 0.00 0.00 SOLV ATOM 22471 OH2 TIP3 5493 7.857 -30.443 12.655 0.00 0.00 SOLV ATOM 22472 H1 TIP3 5493 7.318 -30.017 11.977 0.00 0.00 SOLV ATOM 22473 H2 TIP3 5493 8.516 -30.911 12.155 0.00 0.00 SOLV ATOM 22474 OH2 TIP3 5494 11.659 -9.868 -11.722 0.00 0.00 SOLV ATOM 22475 H1 TIP3 5494 11.164 -10.136 -12.480 0.00 0.00 SOLV ATOM 22476 H2 TIP3 5494 11.162 -9.081 -11.429 0.00 0.00 SOLV ATOM 22477 OH2 TIP3 5495 18.622 -22.216 21.024 0.00 0.00 SOLV ATOM 22478 H1 TIP3 5495 19.312 -22.223 20.349 0.00 0.00 SOLV ATOM 22479 H2 TIP3 5495 19.087 -21.618 21.681 0.00 0.00 SOLV ATOM 22480 OH2 TIP3 5496 7.001 -23.406 30.168 0.00 0.00 SOLV ATOM 22481 H1 TIP3 5496 7.450 -24.045 30.775 0.00 0.00 SOLV ATOM 22482 H2 TIP3 5496 7.708 -23.145 29.638 0.00 0.00 SOLV ATOM 22483 OH2 TIP3 5497 1.707 -33.035 21.184 0.00 0.00 SOLV ATOM 22484 H1 TIP3 5497 0.862 -33.503 21.150 0.00 0.00 SOLV ATOM 22485 H2 TIP3 5497 1.464 -32.111 20.949 0.00 0.00 SOLV ATOM 22486 OH2 TIP3 5498 18.931 -20.979 27.503 0.00 0.00 SOLV ATOM 22487 H1 TIP3 5498 19.337 -20.210 26.997 0.00 0.00 SOLV ATOM 22488 H2 TIP3 5498 18.442 -20.585 28.224 0.00 0.00 SOLV ATOM 22489 OH2 TIP3 5499 6.230 -34.669 9.504 0.00 0.00 SOLV ATOM 22490 H1 TIP3 5499 6.419 -34.288 8.635 0.00 0.00 SOLV ATOM 22491 H2 TIP3 5499 6.975 -35.311 9.719 0.00 0.00 SOLV ATOM 22492 OH2 TIP3 5500 13.775 -6.476 32.857 0.00 0.00 SOLV ATOM 22493 H1 TIP3 5500 13.497 -6.924 33.664 0.00 0.00 SOLV ATOM 22494 H2 TIP3 5500 14.750 -6.301 33.050 0.00 0.00 SOLV ATOM 22495 OH2 TIP3 5501 17.220 -12.324 19.175 0.00 0.00 SOLV ATOM 22496 H1 TIP3 5501 17.264 -11.913 20.028 0.00 0.00 SOLV ATOM 22497 H2 TIP3 5501 16.649 -13.063 19.330 0.00 0.00 SOLV ATOM 22498 OH2 TIP3 5502 18.643 -23.259 36.818 0.00 0.00 SOLV ATOM 22499 H1 TIP3 5502 18.778 -22.613 36.001 0.00 0.00 SOLV ATOM 22500 H2 TIP3 5502 17.727 -23.563 36.756 0.00 0.00 SOLV ATOM 22501 OH2 TIP3 5503 14.316 -18.661 41.946 0.00 0.00 SOLV ATOM 22502 H1 TIP3 5503 14.670 -18.751 41.025 0.00 0.00 SOLV ATOM 22503 H2 TIP3 5503 13.951 -17.801 42.002 0.00 0.00 SOLV ATOM 22504 OH2 TIP3 5504 7.618 -26.670 43.090 0.00 0.00 SOLV ATOM 22505 H1 TIP3 5504 6.728 -27.012 42.802 0.00 0.00 SOLV ATOM 22506 H2 TIP3 5504 7.471 -26.332 44.003 0.00 0.00 SOLV ATOM 22507 OH2 TIP3 5505 6.836 -24.773 45.317 0.00 0.00 SOLV ATOM 22508 H1 TIP3 5505 6.241 -25.377 45.856 0.00 0.00 SOLV ATOM 22509 H2 TIP3 5505 6.264 -24.502 44.577 0.00 0.00 SOLV ATOM 22510 OH2 TIP3 5506 6.847 -26.340 33.831 0.00 0.00 SOLV ATOM 22511 H1 TIP3 5506 5.995 -26.301 34.238 0.00 0.00 SOLV ATOM 22512 H2 TIP3 5506 7.459 -26.697 34.520 0.00 0.00 SOLV ATOM 22513 OH2 TIP3 5507 17.501 -13.919 11.003 0.00 0.00 SOLV ATOM 22514 H1 TIP3 5507 17.117 -13.108 11.324 0.00 0.00 SOLV ATOM 22515 H2 TIP3 5507 17.642 -14.406 11.893 0.00 0.00 SOLV ATOM 22516 OH2 TIP3 5508 -15.212 -3.787 -7.570 0.00 0.00 SOLV ATOM 22517 H1 TIP3 5508 -14.931 -4.684 -7.912 0.00 0.00 SOLV ATOM 22518 H2 TIP3 5508 -15.176 -3.861 -6.606 0.00 0.00 SOLV ATOM 22519 OH2 TIP3 5509 -7.724 -4.464 35.737 0.00 0.00 SOLV ATOM 22520 H1 TIP3 5509 -8.222 -4.876 36.485 0.00 0.00 SOLV ATOM 22521 H2 TIP3 5509 -8.402 -4.004 35.228 0.00 0.00 SOLV ATOM 22522 OH2 TIP3 5510 -7.408 -28.386 13.780 0.00 0.00 SOLV ATOM 22523 H1 TIP3 5510 -8.198 -28.453 14.352 0.00 0.00 SOLV ATOM 22524 H2 TIP3 5510 -7.524 -29.020 13.059 0.00 0.00 SOLV ATOM 22525 OH2 TIP3 5511 6.685 -19.406 45.809 0.00 0.00 SOLV ATOM 22526 H1 TIP3 5511 7.567 -19.699 45.507 0.00 0.00 SOLV ATOM 22527 H2 TIP3 5511 6.054 -20.030 45.396 0.00 0.00 SOLV ATOM 22528 OH2 TIP3 5512 -6.418 -30.267 19.281 0.00 0.00 SOLV ATOM 22529 H1 TIP3 5512 -7.063 -30.057 18.538 0.00 0.00 SOLV ATOM 22530 H2 TIP3 5512 -7.050 -30.441 19.981 0.00 0.00 SOLV ATOM 22531 OH2 TIP3 5513 15.740 -17.369 36.328 0.00 0.00 SOLV ATOM 22532 H1 TIP3 5513 15.920 -16.523 36.737 0.00 0.00 SOLV ATOM 22533 H2 TIP3 5513 15.025 -17.771 36.832 0.00 0.00 SOLV ATOM 22534 OH2 TIP3 5514 2.081 -0.985 38.485 0.00 0.00 SOLV ATOM 22535 H1 TIP3 5514 1.416 -0.255 38.401 0.00 0.00 SOLV ATOM 22536 H2 TIP3 5514 1.548 -1.824 38.455 0.00 0.00 SOLV ATOM 22537 OH2 TIP3 5515 -7.166 -25.728 50.561 0.00 0.00 SOLV ATOM 22538 H1 TIP3 5515 -7.161 -26.658 50.223 0.00 0.00 SOLV ATOM 22539 H2 TIP3 5515 -8.053 -25.365 50.504 0.00 0.00 SOLV ATOM 22540 OH2 TIP3 5516 10.666 3.392 25.027 0.00 0.00 SOLV ATOM 22541 H1 TIP3 5516 11.049 3.969 24.330 0.00 0.00 SOLV ATOM 22542 H2 TIP3 5516 10.596 2.570 24.545 0.00 0.00 SOLV ATOM 22543 OH2 TIP3 5517 12.275 -17.810 31.703 0.00 0.00 SOLV ATOM 22544 H1 TIP3 5517 11.472 -17.332 31.539 0.00 0.00 SOLV ATOM 22545 H2 TIP3 5517 12.430 -17.678 32.669 0.00 0.00 SOLV ATOM 22546 OH2 TIP3 5518 16.408 -20.965 35.639 0.00 0.00 SOLV ATOM 22547 H1 TIP3 5518 16.966 -20.332 36.132 0.00 0.00 SOLV ATOM 22548 H2 TIP3 5518 16.339 -20.579 34.719 0.00 0.00 SOLV ATOM 22549 OH2 TIP3 5519 21.151 -7.474 17.792 0.00 0.00 SOLV ATOM 22550 H1 TIP3 5519 21.973 -8.036 17.824 0.00 0.00 SOLV ATOM 22551 H2 TIP3 5519 21.214 -6.979 18.664 0.00 0.00 SOLV ATOM 22552 OH2 TIP3 5520 9.709 -22.770 27.285 0.00 0.00 SOLV ATOM 22553 H1 TIP3 5520 10.502 -22.914 26.663 0.00 0.00 SOLV ATOM 22554 H2 TIP3 5520 10.122 -22.565 28.137 0.00 0.00 SOLV ATOM 22555 OH2 TIP3 5521 12.971 -8.726 31.363 0.00 0.00 SOLV ATOM 22556 H1 TIP3 5521 13.641 -8.760 30.680 0.00 0.00 SOLV ATOM 22557 H2 TIP3 5521 13.318 -8.002 31.964 0.00 0.00 SOLV ATOM 22558 OH2 TIP3 5522 8.421 -15.641 9.957 0.00 0.00 SOLV ATOM 22559 H1 TIP3 5522 7.664 -16.095 10.381 0.00 0.00 SOLV ATOM 22560 H2 TIP3 5522 9.030 -16.383 9.771 0.00 0.00 SOLV ATOM 22561 OH2 TIP3 5523 8.933 -29.398 25.280 0.00 0.00 SOLV ATOM 22562 H1 TIP3 5523 8.420 -28.706 25.708 0.00 0.00 SOLV ATOM 22563 H2 TIP3 5523 9.408 -29.788 26.024 0.00 0.00 SOLV ATOM 22564 OH2 TIP3 5524 13.936 -30.064 24.149 0.00 0.00 SOLV ATOM 22565 H1 TIP3 5524 13.079 -30.042 24.561 0.00 0.00 SOLV ATOM 22566 H2 TIP3 5524 14.351 -30.789 24.626 0.00 0.00 SOLV ATOM 22567 OH2 TIP3 5525 -15.571 -8.625 -5.077 0.00 0.00 SOLV ATOM 22568 H1 TIP3 5525 -15.360 -8.663 -4.081 0.00 0.00 SOLV ATOM 22569 H2 TIP3 5525 -15.318 -9.448 -5.397 0.00 0.00 SOLV ATOM 22570 OH2 TIP3 5526 14.766 -9.024 12.974 0.00 0.00 SOLV ATOM 22571 H1 TIP3 5526 14.256 -8.290 13.313 0.00 0.00 SOLV ATOM 22572 H2 TIP3 5526 15.735 -8.869 13.183 0.00 0.00 SOLV ATOM 22573 OH2 TIP3 5527 6.773 -22.691 10.738 0.00 0.00 SOLV ATOM 22574 H1 TIP3 5527 6.604 -22.640 11.698 0.00 0.00 SOLV ATOM 22575 H2 TIP3 5527 7.363 -21.939 10.535 0.00 0.00 SOLV ATOM 22576 OH2 TIP3 5528 21.637 -20.882 28.820 0.00 0.00 SOLV ATOM 22577 H1 TIP3 5528 21.368 -21.763 29.195 0.00 0.00 SOLV ATOM 22578 H2 TIP3 5528 20.843 -20.520 28.491 0.00 0.00 SOLV ATOM 22579 OH2 TIP3 5529 9.325 -2.616 42.471 0.00 0.00 SOLV ATOM 22580 H1 TIP3 5529 10.078 -2.524 41.828 0.00 0.00 SOLV ATOM 22581 H2 TIP3 5529 9.736 -2.741 43.329 0.00 0.00 SOLV ATOM 22582 OH2 TIP3 5530 13.660 -7.079 41.592 0.00 0.00 SOLV ATOM 22583 H1 TIP3 5530 13.987 -7.275 42.417 0.00 0.00 SOLV ATOM 22584 H2 TIP3 5530 13.002 -6.386 41.686 0.00 0.00 SOLV ATOM 22585 OH2 TIP3 5531 16.070 -12.412 40.578 0.00 0.00 SOLV ATOM 22586 H1 TIP3 5531 16.683 -12.360 41.301 0.00 0.00 SOLV ATOM 22587 H2 TIP3 5531 15.473 -11.721 40.859 0.00 0.00 SOLV ATOM 22588 OH2 TIP3 5532 -15.607 -4.972 37.106 0.00 0.00 SOLV ATOM 22589 H1 TIP3 5532 -16.546 -5.302 37.131 0.00 0.00 SOLV ATOM 22590 H2 TIP3 5532 -15.269 -5.241 37.951 0.00 0.00 SOLV ATOM 22591 OH2 TIP3 5533 15.248 -6.684 37.591 0.00 0.00 SOLV ATOM 22592 H1 TIP3 5533 15.005 -5.860 38.023 0.00 0.00 SOLV ATOM 22593 H2 TIP3 5533 14.439 -7.128 37.629 0.00 0.00 SOLV ATOM 22594 OH2 TIP3 5534 -2.356 -7.973 12.788 0.00 0.00 SOLV ATOM 22595 H1 TIP3 5534 -2.078 -8.912 12.776 0.00 0.00 SOLV ATOM 22596 H2 TIP3 5534 -2.412 -7.810 13.752 0.00 0.00 SOLV ATOM 22597 OH2 TIP3 5535 13.766 -12.630 18.118 0.00 0.00 SOLV ATOM 22598 H1 TIP3 5535 13.040 -13.293 18.036 0.00 0.00 SOLV ATOM 22599 H2 TIP3 5535 14.373 -13.173 18.665 0.00 0.00 SOLV ATOM 22600 OH2 TIP3 5536 13.123 -12.037 34.545 0.00 0.00 SOLV ATOM 22601 H1 TIP3 5536 13.685 -12.583 33.995 0.00 0.00 SOLV ATOM 22602 H2 TIP3 5536 12.393 -12.639 34.897 0.00 0.00 SOLV ATOM 22603 OH2 TIP3 5537 21.722 -17.480 36.008 0.00 0.00 SOLV ATOM 22604 H1 TIP3 5537 21.871 -17.783 36.908 0.00 0.00 SOLV ATOM 22605 H2 TIP3 5537 22.449 -16.854 35.854 0.00 0.00 SOLV ATOM 22606 OH2 TIP3 5538 -5.740 -10.363 6.179 0.00 0.00 SOLV ATOM 22607 H1 TIP3 5538 -5.356 -9.638 5.659 0.00 0.00 SOLV ATOM 22608 H2 TIP3 5538 -6.203 -9.865 6.887 0.00 0.00 SOLV ATOM 22609 OH2 TIP3 5539 16.050 -0.092 39.249 0.00 0.00 SOLV ATOM 22610 H1 TIP3 5539 16.270 0.287 38.389 0.00 0.00 SOLV ATOM 22611 H2 TIP3 5539 15.263 -0.533 38.975 0.00 0.00 SOLV ATOM 22612 OH2 TIP3 5540 13.936 -2.670 42.969 0.00 0.00 SOLV ATOM 22613 H1 TIP3 5540 13.197 -3.094 42.463 0.00 0.00 SOLV ATOM 22614 H2 TIP3 5540 14.455 -3.433 43.274 0.00 0.00 SOLV ATOM 22615 OH2 TIP3 5541 13.899 -0.089 23.449 0.00 0.00 SOLV ATOM 22616 H1 TIP3 5541 13.973 -0.776 22.764 0.00 0.00 SOLV ATOM 22617 H2 TIP3 5541 14.701 0.450 23.392 0.00 0.00 SOLV ATOM 22618 OH2 TIP3 5542 20.245 5.899 7.662 0.00 0.00 SOLV ATOM 22619 H1 TIP3 5542 20.068 6.705 8.125 0.00 0.00 SOLV ATOM 22620 H2 TIP3 5542 19.900 6.073 6.747 0.00 0.00 SOLV ATOM 22621 OH2 TIP3 5543 3.834 0.339 15.163 0.00 0.00 SOLV ATOM 22622 H1 TIP3 5543 4.370 0.235 14.351 0.00 0.00 SOLV ATOM 22623 H2 TIP3 5543 3.960 -0.550 15.672 0.00 0.00 SOLV ATOM 22624 OH2 TIP3 5544 9.582 8.417 36.612 0.00 0.00 SOLV ATOM 22625 H1 TIP3 5544 8.797 8.413 36.065 0.00 0.00 SOLV ATOM 22626 H2 TIP3 5544 10.249 8.144 36.005 0.00 0.00 SOLV ATOM 22627 OH2 TIP3 5545 -13.133 -7.943 37.944 0.00 0.00 SOLV ATOM 22628 H1 TIP3 5545 -13.316 -8.763 37.486 0.00 0.00 SOLV ATOM 22629 H2 TIP3 5545 -12.460 -8.194 38.618 0.00 0.00 SOLV ATOM 22630 OH2 TIP3 5546 9.869 8.802 -5.217 0.00 0.00 SOLV ATOM 22631 H1 TIP3 5546 9.444 8.279 -5.861 0.00 0.00 SOLV ATOM 22632 H2 TIP3 5546 9.419 8.700 -4.380 0.00 0.00 SOLV ATOM 22633 OH2 TIP3 5547 -1.726 -30.133 23.955 0.00 0.00 SOLV ATOM 22634 H1 TIP3 5547 -1.423 -31.000 23.616 0.00 0.00 SOLV ATOM 22635 H2 TIP3 5547 -1.135 -29.982 24.732 0.00 0.00 SOLV ATOM 22636 OH2 TIP3 5548 20.976 -3.323 30.977 0.00 0.00 SOLV ATOM 22637 H1 TIP3 5548 21.676 -2.834 31.416 0.00 0.00 SOLV ATOM 22638 H2 TIP3 5548 20.759 -2.722 30.225 0.00 0.00 SOLV ATOM 22639 OH2 TIP3 5549 16.741 21.178 -21.929 0.00 0.00 SOLV ATOM 22640 H1 TIP3 5549 15.952 21.620 -21.662 0.00 0.00 SOLV ATOM 22641 H2 TIP3 5549 17.201 21.807 -22.477 0.00 0.00 SOLV ATOM 22642 OH2 TIP3 5550 6.719 1.894 31.847 0.00 0.00 SOLV ATOM 22643 H1 TIP3 5550 7.142 2.660 31.415 0.00 0.00 SOLV ATOM 22644 H2 TIP3 5550 7.245 1.737 32.647 0.00 0.00 SOLV ATOM 22645 OH2 TIP3 5551 20.451 -4.605 11.765 0.00 0.00 SOLV ATOM 22646 H1 TIP3 5551 20.505 -3.753 11.230 0.00 0.00 SOLV ATOM 22647 H2 TIP3 5551 19.977 -5.214 11.149 0.00 0.00 SOLV ATOM 22648 OH2 TIP3 5552 22.018 -6.116 20.340 0.00 0.00 SOLV ATOM 22649 H1 TIP3 5552 21.372 -6.176 21.061 0.00 0.00 SOLV ATOM 22650 H2 TIP3 5552 22.890 -6.336 20.736 0.00 0.00 SOLV ATOM 22651 OH2 TIP3 5553 21.998 -5.282 28.753 0.00 0.00 SOLV ATOM 22652 H1 TIP3 5553 21.380 -5.979 28.978 0.00 0.00 SOLV ATOM 22653 H2 TIP3 5553 21.681 -4.488 29.242 0.00 0.00 SOLV ATOM 22654 OH2 TIP3 5554 13.327 -5.422 20.687 0.00 0.00 SOLV ATOM 22655 H1 TIP3 5554 13.007 -5.985 19.896 0.00 0.00 SOLV ATOM 22656 H2 TIP3 5554 13.474 -6.109 21.392 0.00 0.00 SOLV ATOM 22657 OH2 TIP3 5555 18.057 -2.489 37.582 0.00 0.00 SOLV ATOM 22658 H1 TIP3 5555 18.873 -2.927 37.252 0.00 0.00 SOLV ATOM 22659 H2 TIP3 5555 17.588 -2.242 36.811 0.00 0.00 SOLV ATOM 22660 OH2 TIP3 5556 8.593 -11.665 45.887 0.00 0.00 SOLV ATOM 22661 H1 TIP3 5556 8.632 -12.575 45.519 0.00 0.00 SOLV ATOM 22662 H2 TIP3 5556 8.766 -11.193 45.028 0.00 0.00 SOLV ATOM 22663 OH2 TIP3 5557 7.336 -4.294 34.295 0.00 0.00 SOLV ATOM 22664 H1 TIP3 5557 6.762 -3.508 34.403 0.00 0.00 SOLV ATOM 22665 H2 TIP3 5557 7.347 -4.411 33.301 0.00 0.00 SOLV ATOM 22666 OH2 TIP3 5558 16.563 5.438 35.871 0.00 0.00 SOLV ATOM 22667 H1 TIP3 5558 17.163 4.672 35.611 0.00 0.00 SOLV ATOM 22668 H2 TIP3 5558 16.763 6.113 35.120 0.00 0.00 SOLV ATOM 22669 OH2 TIP3 5559 12.817 3.999 46.375 0.00 0.00 SOLV ATOM 22670 H1 TIP3 5559 12.416 4.417 45.623 0.00 0.00 SOLV ATOM 22671 H2 TIP3 5559 12.833 3.036 46.160 0.00 0.00 SOLV ATOM 22672 OH2 TIP3 5560 15.197 15.190 23.442 0.00 0.00 SOLV ATOM 22673 H1 TIP3 5560 14.458 15.850 23.431 0.00 0.00 SOLV ATOM 22674 H2 TIP3 5560 15.034 14.692 24.287 0.00 0.00 SOLV ATOM 22675 OH2 TIP3 5561 -1.494 -27.073 38.968 0.00 0.00 SOLV ATOM 22676 H1 TIP3 5561 -2.185 -26.349 39.066 0.00 0.00 SOLV ATOM 22677 H2 TIP3 5561 -1.877 -27.893 39.237 0.00 0.00 SOLV ATOM 22678 OH2 TIP3 5562 20.153 9.587 28.757 0.00 0.00 SOLV ATOM 22679 H1 TIP3 5562 20.583 8.934 29.333 0.00 0.00 SOLV ATOM 22680 H2 TIP3 5562 20.820 10.283 28.727 0.00 0.00 SOLV ATOM 22681 OH2 TIP3 5563 10.586 5.921 -1.593 0.00 0.00 SOLV ATOM 22682 H1 TIP3 5563 11.272 5.752 -0.891 0.00 0.00 SOLV ATOM 22683 H2 TIP3 5563 10.849 5.411 -2.390 0.00 0.00 SOLV ATOM 22684 OH2 TIP3 5564 14.728 -10.815 15.616 0.00 0.00 SOLV ATOM 22685 H1 TIP3 5564 14.230 -10.032 15.347 0.00 0.00 SOLV ATOM 22686 H2 TIP3 5564 14.294 -11.092 16.412 0.00 0.00 SOLV ATOM 22687 OH2 TIP3 5565 -13.778 -2.675 37.294 0.00 0.00 SOLV ATOM 22688 H1 TIP3 5565 -14.337 -3.477 37.223 0.00 0.00 SOLV ATOM 22689 H2 TIP3 5565 -13.729 -2.501 38.259 0.00 0.00 SOLV ATOM 22690 OH2 TIP3 5566 8.747 -0.859 7.843 0.00 0.00 SOLV ATOM 22691 H1 TIP3 5566 9.572 -0.632 8.306 0.00 0.00 SOLV ATOM 22692 H2 TIP3 5566 8.133 -0.089 7.931 0.00 0.00 SOLV ATOM 22693 OH2 TIP3 5567 18.891 13.934 25.726 0.00 0.00 SOLV ATOM 22694 H1 TIP3 5567 19.384 14.001 26.533 0.00 0.00 SOLV ATOM 22695 H2 TIP3 5567 19.027 13.039 25.476 0.00 0.00 SOLV ATOM 22696 OH2 TIP3 5568 10.951 -8.800 43.188 0.00 0.00 SOLV ATOM 22697 H1 TIP3 5568 10.163 -9.422 43.036 0.00 0.00 SOLV ATOM 22698 H2 TIP3 5568 10.576 -8.117 43.797 0.00 0.00 SOLV ATOM 22699 OH2 TIP3 5569 7.510 -0.403 41.936 0.00 0.00 SOLV ATOM 22700 H1 TIP3 5569 8.108 -1.074 42.189 0.00 0.00 SOLV ATOM 22701 H2 TIP3 5569 8.080 0.212 41.487 0.00 0.00 SOLV ATOM 22702 OH2 TIP3 5570 13.698 7.894 40.445 0.00 0.00 SOLV ATOM 22703 H1 TIP3 5570 13.614 7.056 40.915 0.00 0.00 SOLV ATOM 22704 H2 TIP3 5570 14.693 8.003 40.289 0.00 0.00 SOLV ATOM 22705 OH2 TIP3 5571 -18.072 -20.448 38.247 0.00 0.00 SOLV ATOM 22706 H1 TIP3 5571 -18.486 -20.927 39.005 0.00 0.00 SOLV ATOM 22707 H2 TIP3 5571 -17.151 -20.356 38.571 0.00 0.00 SOLV ATOM 22708 OH2 TIP3 5572 11.638 -8.408 24.597 0.00 0.00 SOLV ATOM 22709 H1 TIP3 5572 11.231 -8.889 25.315 0.00 0.00 SOLV ATOM 22710 H2 TIP3 5572 12.480 -8.875 24.507 0.00 0.00 SOLV ATOM 22711 OH2 TIP3 5573 4.066 -7.084 -6.589 0.00 0.00 SOLV ATOM 22712 H1 TIP3 5573 4.518 -7.920 -6.820 0.00 0.00 SOLV ATOM 22713 H2 TIP3 5573 4.491 -6.814 -5.827 0.00 0.00 SOLV ATOM 22714 OH2 TIP3 5574 19.436 3.461 17.705 0.00 0.00 SOLV ATOM 22715 H1 TIP3 5574 19.735 4.092 18.455 0.00 0.00 SOLV ATOM 22716 H2 TIP3 5574 18.819 2.829 18.085 0.00 0.00 SOLV ATOM 22717 OH2 TIP3 5575 14.111 2.663 19.325 0.00 0.00 SOLV ATOM 22718 H1 TIP3 5575 14.465 2.016 18.758 0.00 0.00 SOLV ATOM 22719 H2 TIP3 5575 13.711 3.309 18.712 0.00 0.00 SOLV ATOM 22720 OH2 TIP3 5576 -3.993 -33.910 35.670 0.00 0.00 SOLV ATOM 22721 H1 TIP3 5576 -4.704 -34.590 35.896 0.00 0.00 SOLV ATOM 22722 H2 TIP3 5576 -4.043 -33.922 34.697 0.00 0.00 SOLV ATOM 22723 OH2 TIP3 5577 2.049 12.584 22.433 0.00 0.00 SOLV ATOM 22724 H1 TIP3 5577 2.491 13.197 22.989 0.00 0.00 SOLV ATOM 22725 H2 TIP3 5577 2.297 11.806 22.848 0.00 0.00 SOLV ATOM 22726 OH2 TIP3 5578 6.519 5.103 45.240 0.00 0.00 SOLV ATOM 22727 H1 TIP3 5578 6.175 4.541 45.968 0.00 0.00 SOLV ATOM 22728 H2 TIP3 5578 7.345 4.642 44.947 0.00 0.00 SOLV ATOM 22729 OH2 TIP3 5579 0.343 -3.063 38.669 0.00 0.00 SOLV ATOM 22730 H1 TIP3 5579 -0.237 -2.834 39.382 0.00 0.00 SOLV ATOM 22731 H2 TIP3 5579 0.706 -3.888 39.124 0.00 0.00 SOLV ATOM 22732 OH2 TIP3 5580 17.993 18.296 13.955 0.00 0.00 SOLV ATOM 22733 H1 TIP3 5580 18.462 18.959 14.504 0.00 0.00 SOLV ATOM 22734 H2 TIP3 5580 17.773 17.599 14.577 0.00 0.00 SOLV ATOM 22735 OH2 TIP3 5581 14.567 2.555 38.348 0.00 0.00 SOLV ATOM 22736 H1 TIP3 5581 15.434 2.298 37.931 0.00 0.00 SOLV ATOM 22737 H2 TIP3 5581 14.015 1.780 38.379 0.00 0.00 SOLV ATOM 22738 OH2 TIP3 5582 12.174 3.995 43.475 0.00 0.00 SOLV ATOM 22739 H1 TIP3 5582 11.503 4.042 42.750 0.00 0.00 SOLV ATOM 22740 H2 TIP3 5582 12.622 3.127 43.252 0.00 0.00 SOLV ATOM 22741 OH2 TIP3 5583 1.603 -5.327 50.725 0.00 0.00 SOLV ATOM 22742 H1 TIP3 5583 0.934 -5.812 50.171 0.00 0.00 SOLV ATOM 22743 H2 TIP3 5583 1.459 -5.745 51.639 0.00 0.00 SOLV ATOM 22744 OH2 TIP3 5584 -23.232 -14.069 32.858 0.00 0.00 SOLV ATOM 22745 H1 TIP3 5584 -23.656 -13.826 33.693 0.00 0.00 SOLV ATOM 22746 H2 TIP3 5584 -23.918 -13.811 32.219 0.00 0.00 SOLV ATOM 22747 OH2 TIP3 5585 11.549 15.146 30.520 0.00 0.00 SOLV ATOM 22748 H1 TIP3 5585 11.662 14.291 30.971 0.00 0.00 SOLV ATOM 22749 H2 TIP3 5585 10.730 15.504 30.760 0.00 0.00 SOLV ATOM 22750 OH2 TIP3 5586 -9.837 10.093 26.835 0.00 0.00 SOLV ATOM 22751 H1 TIP3 5586 -9.784 10.638 27.640 0.00 0.00 SOLV ATOM 22752 H2 TIP3 5586 -10.441 10.560 26.247 0.00 0.00 SOLV ATOM 22753 OH2 TIP3 5587 13.404 13.624 37.569 0.00 0.00 SOLV ATOM 22754 H1 TIP3 5587 13.275 14.230 38.347 0.00 0.00 SOLV ATOM 22755 H2 TIP3 5587 12.957 14.016 36.800 0.00 0.00 SOLV ATOM 22756 OH2 TIP3 5588 18.739 -4.874 17.309 0.00 0.00 SOLV ATOM 22757 H1 TIP3 5588 18.493 -5.397 18.090 0.00 0.00 SOLV ATOM 22758 H2 TIP3 5588 17.918 -4.980 16.780 0.00 0.00 SOLV ATOM 22759 OH2 TIP3 5589 20.903 1.039 28.010 0.00 0.00 SOLV ATOM 22760 H1 TIP3 5589 20.851 1.983 27.960 0.00 0.00 SOLV ATOM 22761 H2 TIP3 5589 21.556 0.775 27.402 0.00 0.00 SOLV ATOM 22762 OH2 TIP3 5590 1.849 -15.812 44.303 0.00 0.00 SOLV ATOM 22763 H1 TIP3 5590 2.253 -15.088 43.808 0.00 0.00 SOLV ATOM 22764 H2 TIP3 5590 1.810 -15.475 45.191 0.00 0.00 SOLV ATOM 22765 OH2 TIP3 5591 -9.031 3.821 44.678 0.00 0.00 SOLV ATOM 22766 H1 TIP3 5591 -8.249 3.396 44.944 0.00 0.00 SOLV ATOM 22767 H2 TIP3 5591 -9.565 3.082 44.383 0.00 0.00 SOLV ATOM 22768 OH2 TIP3 5592 20.636 -0.009 33.823 0.00 0.00 SOLV ATOM 22769 H1 TIP3 5592 21.035 -0.775 34.271 0.00 0.00 SOLV ATOM 22770 H2 TIP3 5592 21.139 0.759 34.203 0.00 0.00 SOLV ATOM 22771 OH2 TIP3 5593 -0.542 8.788 36.725 0.00 0.00 SOLV ATOM 22772 H1 TIP3 5593 -1.209 9.238 36.258 0.00 0.00 SOLV ATOM 22773 H2 TIP3 5593 0.137 9.411 36.697 0.00 0.00 SOLV ATOM 22774 OH2 TIP3 5594 7.498 8.867 42.686 0.00 0.00 SOLV ATOM 22775 H1 TIP3 5594 7.190 8.710 41.795 0.00 0.00 SOLV ATOM 22776 H2 TIP3 5594 7.947 8.056 42.875 0.00 0.00 SOLV ATOM 22777 OH2 TIP3 5595 11.344 10.322 33.320 0.00 0.00 SOLV ATOM 22778 H1 TIP3 5595 11.380 10.348 34.306 0.00 0.00 SOLV ATOM 22779 H2 TIP3 5595 11.455 9.375 33.033 0.00 0.00 SOLV ATOM 22780 OH2 TIP3 5596 13.665 -3.051 31.363 0.00 0.00 SOLV ATOM 22781 H1 TIP3 5596 14.484 -3.598 31.194 0.00 0.00 SOLV ATOM 22782 H2 TIP3 5596 13.765 -2.353 30.726 0.00 0.00 SOLV ATOM 22783 OH2 TIP3 5597 12.073 -0.461 42.276 0.00 0.00 SOLV ATOM 22784 H1 TIP3 5597 12.998 -0.808 42.344 0.00 0.00 SOLV ATOM 22785 H2 TIP3 5597 11.772 -0.969 41.510 0.00 0.00 SOLV ATOM 22786 OH2 TIP3 5598 18.915 2.459 11.567 0.00 0.00 SOLV ATOM 22787 H1 TIP3 5598 19.569 2.621 10.814 0.00 0.00 SOLV ATOM 22788 H2 TIP3 5598 19.428 2.692 12.308 0.00 0.00 SOLV ATOM 22789 OH2 TIP3 5599 9.929 19.134 3.087 0.00 0.00 SOLV ATOM 22790 H1 TIP3 5599 9.793 19.908 3.649 0.00 0.00 SOLV ATOM 22791 H2 TIP3 5599 9.659 19.454 2.242 0.00 0.00 SOLV ATOM 22792 OH2 TIP3 5600 7.365 13.878 29.457 0.00 0.00 SOLV ATOM 22793 H1 TIP3 5600 6.562 14.171 28.993 0.00 0.00 SOLV ATOM 22794 H2 TIP3 5600 7.076 13.113 30.021 0.00 0.00 SOLV ATOM 22795 OH2 TIP3 5601 3.649 -41.870 24.655 0.00 0.00 SOLV ATOM 22796 H1 TIP3 5601 3.516 -40.907 24.847 0.00 0.00 SOLV ATOM 22797 H2 TIP3 5601 3.818 -41.897 23.652 0.00 0.00 SOLV ATOM 22798 OH2 TIP3 5602 -38.124 12.679 22.358 0.00 0.00 SOLV ATOM 22799 H1 TIP3 5602 -37.752 11.810 22.187 0.00 0.00 SOLV ATOM 22800 H2 TIP3 5602 -37.732 13.187 21.659 0.00 0.00 SOLV ATOM 22801 OH2 TIP3 5603 5.900 -42.460 22.233 0.00 0.00 SOLV ATOM 22802 H1 TIP3 5603 6.358 -41.704 21.839 0.00 0.00 SOLV ATOM 22803 H2 TIP3 5603 6.650 -43.143 22.406 0.00 0.00 SOLV ATOM 22804 OH2 TIP3 5604 -37.814 11.291 8.198 0.00 0.00 SOLV ATOM 22805 H1 TIP3 5604 -37.068 11.151 7.598 0.00 0.00 SOLV ATOM 22806 H2 TIP3 5604 -38.459 10.786 7.690 0.00 0.00 SOLV ATOM 22807 OH2 TIP3 5605 17.842 -28.778 20.934 0.00 0.00 SOLV ATOM 22808 H1 TIP3 5605 17.393 -28.731 21.791 0.00 0.00 SOLV ATOM 22809 H2 TIP3 5605 18.520 -29.470 21.014 0.00 0.00 SOLV ATOM 22810 OH2 TIP3 5606 7.325 -30.045 19.893 0.00 0.00 SOLV ATOM 22811 H1 TIP3 5606 6.665 -30.732 19.748 0.00 0.00 SOLV ATOM 22812 H2 TIP3 5606 7.424 -29.987 20.876 0.00 0.00 SOLV ATOM 22813 OH2 TIP3 5607 13.628 14.173 43.414 0.00 0.00 SOLV ATOM 22814 H1 TIP3 5607 13.702 14.629 44.262 0.00 0.00 SOLV ATOM 22815 H2 TIP3 5607 14.241 13.425 43.501 0.00 0.00 SOLV ATOM 22816 OH2 TIP3 5608 9.703 -33.242 25.144 0.00 0.00 SOLV ATOM 22817 H1 TIP3 5608 9.090 -33.147 24.381 0.00 0.00 SOLV ATOM 22818 H2 TIP3 5608 9.896 -32.379 25.424 0.00 0.00 SOLV ATOM 22819 OH2 TIP3 5609 15.826 15.405 32.841 0.00 0.00 SOLV ATOM 22820 H1 TIP3 5609 15.474 15.089 31.981 0.00 0.00 SOLV ATOM 22821 H2 TIP3 5609 16.750 15.598 32.597 0.00 0.00 SOLV ATOM 22822 OH2 TIP3 5610 4.850 16.396 24.434 0.00 0.00 SOLV ATOM 22823 H1 TIP3 5610 4.675 15.921 23.584 0.00 0.00 SOLV ATOM 22824 H2 TIP3 5610 4.736 17.415 24.183 0.00 0.00 SOLV ATOM 22825 OH2 TIP3 5611 6.302 -31.569 38.285 0.00 0.00 SOLV ATOM 22826 H1 TIP3 5611 6.202 -30.627 38.508 0.00 0.00 SOLV ATOM 22827 H2 TIP3 5611 7.247 -31.711 38.445 0.00 0.00 SOLV ATOM 22828 OH2 TIP3 5612 -37.900 10.161 12.719 0.00 0.00 SOLV ATOM 22829 H1 TIP3 5612 -38.520 9.394 12.790 0.00 0.00 SOLV ATOM 22830 H2 TIP3 5612 -38.183 10.585 11.934 0.00 0.00 SOLV ATOM 22831 OH2 TIP3 5613 9.171 -37.675 13.069 0.00 0.00 SOLV ATOM 22832 H1 TIP3 5613 8.519 -36.986 13.369 0.00 0.00 SOLV ATOM 22833 H2 TIP3 5613 9.756 -37.183 12.445 0.00 0.00 SOLV ATOM 22834 OH2 TIP3 5614 6.646 -33.462 27.287 0.00 0.00 SOLV ATOM 22835 H1 TIP3 5614 7.301 -32.721 27.517 0.00 0.00 SOLV ATOM 22836 H2 TIP3 5614 6.933 -34.216 27.725 0.00 0.00 SOLV ATOM 22837 OH2 TIP3 5615 12.263 -34.111 25.179 0.00 0.00 SOLV ATOM 22838 H1 TIP3 5615 11.311 -34.263 24.987 0.00 0.00 SOLV ATOM 22839 H2 TIP3 5615 12.690 -34.212 24.279 0.00 0.00 SOLV ATOM 22840 OH2 TIP3 5616 4.100 -31.780 24.895 0.00 0.00 SOLV ATOM 22841 H1 TIP3 5616 4.746 -31.087 25.117 0.00 0.00 SOLV ATOM 22842 H2 TIP3 5616 3.661 -31.946 25.720 0.00 0.00 SOLV ATOM 22843 OH2 TIP3 5617 -15.645 -23.636 40.565 0.00 0.00 SOLV ATOM 22844 H1 TIP3 5617 -14.722 -23.561 40.825 0.00 0.00 SOLV ATOM 22845 H2 TIP3 5617 -15.891 -22.760 40.358 0.00 0.00 SOLV ATOM 22846 OH2 TIP3 5618 11.325 -33.961 38.329 0.00 0.00 SOLV ATOM 22847 H1 TIP3 5618 11.671 -33.340 39.000 0.00 0.00 SOLV ATOM 22848 H2 TIP3 5618 11.784 -34.741 38.531 0.00 0.00 SOLV ATOM 22849 OH2 TIP3 5619 7.099 -37.497 20.562 0.00 0.00 SOLV ATOM 22850 H1 TIP3 5619 7.120 -36.715 19.973 0.00 0.00 SOLV ATOM 22851 H2 TIP3 5619 7.742 -38.138 20.212 0.00 0.00 SOLV ATOM 22852 OH2 TIP3 5620 23.387 14.050 26.326 0.00 0.00 SOLV ATOM 22853 H1 TIP3 5620 22.876 14.697 25.842 0.00 0.00 SOLV ATOM 22854 H2 TIP3 5620 23.235 13.189 25.871 0.00 0.00 SOLV ATOM 22855 OH2 TIP3 5621 20.595 2.466 36.888 0.00 0.00 SOLV ATOM 22856 H1 TIP3 5621 21.179 2.675 37.653 0.00 0.00 SOLV ATOM 22857 H2 TIP3 5621 20.551 1.473 37.020 0.00 0.00 SOLV ATOM 22858 OH2 TIP3 5622 9.474 12.858 19.569 0.00 0.00 SOLV ATOM 22859 H1 TIP3 5622 10.321 12.538 19.850 0.00 0.00 SOLV ATOM 22860 H2 TIP3 5622 9.554 12.590 18.577 0.00 0.00 SOLV ATOM 22861 OH2 TIP3 5623 7.756 -40.722 21.112 0.00 0.00 SOLV ATOM 22862 H1 TIP3 5623 6.892 -40.561 20.656 0.00 0.00 SOLV ATOM 22863 H2 TIP3 5623 8.200 -39.826 21.152 0.00 0.00 SOLV ATOM 22864 OH2 TIP3 5624 13.933 -28.042 45.299 0.00 0.00 SOLV ATOM 22865 H1 TIP3 5624 13.788 -27.270 44.736 0.00 0.00 SOLV ATOM 22866 H2 TIP3 5624 14.369 -27.651 46.125 0.00 0.00 SOLV ATOM 22867 OH2 TIP3 5625 4.817 -31.553 8.622 0.00 0.00 SOLV ATOM 22868 H1 TIP3 5625 4.985 -32.359 8.130 0.00 0.00 SOLV ATOM 22869 H2 TIP3 5625 3.894 -31.367 8.587 0.00 0.00 SOLV ATOM 22870 OH2 TIP3 5626 8.105 11.654 42.546 0.00 0.00 SOLV ATOM 22871 H1 TIP3 5626 8.103 10.727 42.670 0.00 0.00 SOLV ATOM 22872 H2 TIP3 5626 8.058 12.015 43.460 0.00 0.00 SOLV ATOM 22873 OH2 TIP3 5627 12.630 -30.802 31.766 0.00 0.00 SOLV ATOM 22874 H1 TIP3 5627 12.338 -31.698 31.602 0.00 0.00 SOLV ATOM 22875 H2 TIP3 5627 11.861 -30.243 31.410 0.00 0.00 SOLV ATOM 22876 OH2 TIP3 5628 -1.180 -22.975 38.531 0.00 0.00 SOLV ATOM 22877 H1 TIP3 5628 -0.332 -22.473 38.605 0.00 0.00 SOLV ATOM 22878 H2 TIP3 5628 -1.091 -23.379 37.633 0.00 0.00 SOLV ATOM 22879 OH2 TIP3 5629 8.441 -23.524 23.006 0.00 0.00 SOLV ATOM 22880 H1 TIP3 5629 8.716 -24.360 23.435 0.00 0.00 SOLV ATOM 22881 H2 TIP3 5629 7.969 -23.060 23.747 0.00 0.00 SOLV ATOM 22882 OH2 TIP3 5630 10.184 -35.842 18.692 0.00 0.00 SOLV ATOM 22883 H1 TIP3 5630 9.963 -36.615 18.027 0.00 0.00 SOLV ATOM 22884 H2 TIP3 5630 10.629 -35.235 18.134 0.00 0.00 SOLV ATOM 22885 OH2 TIP3 5631 19.624 -18.510 15.881 0.00 0.00 SOLV ATOM 22886 H1 TIP3 5631 19.699 -17.693 15.299 0.00 0.00 SOLV ATOM 22887 H2 TIP3 5631 18.710 -18.450 16.308 0.00 0.00 SOLV ATOM 22888 OH2 TIP3 5632 -7.535 -41.498 14.539 0.00 0.00 SOLV ATOM 22889 H1 TIP3 5632 -7.660 -41.871 13.612 0.00 0.00 SOLV ATOM 22890 H2 TIP3 5632 -7.260 -42.267 15.095 0.00 0.00 SOLV ATOM 22891 OH2 TIP3 5633 13.435 -27.426 24.177 0.00 0.00 SOLV ATOM 22892 H1 TIP3 5633 14.003 -28.272 24.080 0.00 0.00 SOLV ATOM 22893 H2 TIP3 5633 13.807 -26.847 23.517 0.00 0.00 SOLV ATOM 22894 OH2 TIP3 5634 16.950 -16.845 33.912 0.00 0.00 SOLV ATOM 22895 H1 TIP3 5634 16.101 -16.757 33.476 0.00 0.00 SOLV ATOM 22896 H2 TIP3 5634 16.717 -16.922 34.841 0.00 0.00 SOLV ATOM 22897 OH2 TIP3 5635 -4.474 -31.619 36.930 0.00 0.00 SOLV ATOM 22898 H1 TIP3 5635 -4.045 -32.347 36.452 0.00 0.00 SOLV ATOM 22899 H2 TIP3 5635 -4.407 -31.909 37.847 0.00 0.00 SOLV ATOM 22900 OH2 TIP3 5636 15.358 -26.307 15.031 0.00 0.00 SOLV ATOM 22901 H1 TIP3 5636 15.144 -26.853 14.260 0.00 0.00 SOLV ATOM 22902 H2 TIP3 5636 15.561 -27.008 15.732 0.00 0.00 SOLV ATOM 22903 OH2 TIP3 5637 20.896 -22.132 19.020 0.00 0.00 SOLV ATOM 22904 H1 TIP3 5637 20.764 -23.076 18.700 0.00 0.00 SOLV ATOM 22905 H2 TIP3 5637 21.047 -21.743 18.148 0.00 0.00 SOLV ATOM 22906 OH2 TIP3 5638 2.680 -39.056 8.047 0.00 0.00 SOLV ATOM 22907 H1 TIP3 5638 2.177 -39.769 7.739 0.00 0.00 SOLV ATOM 22908 H2 TIP3 5638 2.964 -39.424 8.936 0.00 0.00 SOLV ATOM 22909 OH2 TIP3 5639 8.436 -7.190 6.671 0.00 0.00 SOLV ATOM 22910 H1 TIP3 5639 8.481 -7.979 7.294 0.00 0.00 SOLV ATOM 22911 H2 TIP3 5639 8.683 -6.385 7.192 0.00 0.00 SOLV ATOM 22912 OH2 TIP3 5640 7.167 -21.048 20.803 0.00 0.00 SOLV ATOM 22913 H1 TIP3 5640 7.762 -21.411 20.126 0.00 0.00 SOLV ATOM 22914 H2 TIP3 5640 6.831 -21.883 21.169 0.00 0.00 SOLV ATOM 22915 OH2 TIP3 5641 15.023 -31.779 28.283 0.00 0.00 SOLV ATOM 22916 H1 TIP3 5641 14.809 -31.140 28.978 0.00 0.00 SOLV ATOM 22917 H2 TIP3 5641 14.224 -32.093 27.968 0.00 0.00 SOLV ATOM 22918 OH2 TIP3 5642 16.471 -14.701 46.075 0.00 0.00 SOLV ATOM 22919 H1 TIP3 5642 17.312 -14.759 46.625 0.00 0.00 SOLV ATOM 22920 H2 TIP3 5642 15.909 -14.251 46.667 0.00 0.00 SOLV ATOM 22921 OH2 TIP3 5643 3.904 -29.593 46.040 0.00 0.00 SOLV ATOM 22922 H1 TIP3 5643 4.820 -29.669 45.736 0.00 0.00 SOLV ATOM 22923 H2 TIP3 5643 3.476 -30.337 45.514 0.00 0.00 SOLV ATOM 22924 OH2 TIP3 5644 13.559 -21.115 13.458 0.00 0.00 SOLV ATOM 22925 H1 TIP3 5644 12.783 -20.622 13.747 0.00 0.00 SOLV ATOM 22926 H2 TIP3 5644 14.103 -21.184 14.260 0.00 0.00 SOLV ATOM 22927 OH2 TIP3 5645 6.259 -28.052 18.374 0.00 0.00 SOLV ATOM 22928 H1 TIP3 5645 6.683 -28.741 18.964 0.00 0.00 SOLV ATOM 22929 H2 TIP3 5645 6.388 -28.382 17.479 0.00 0.00 SOLV ATOM 22930 OH2 TIP3 5646 -0.340 -32.341 10.029 0.00 0.00 SOLV ATOM 22931 H1 TIP3 5646 -0.294 -31.559 9.570 0.00 0.00 SOLV ATOM 22932 H2 TIP3 5646 -0.573 -32.029 10.920 0.00 0.00 SOLV ATOM 22933 OH2 TIP3 5647 22.363 -20.270 17.389 0.00 0.00 SOLV ATOM 22934 H1 TIP3 5647 21.996 -19.839 16.589 0.00 0.00 SOLV ATOM 22935 H2 TIP3 5647 22.308 -19.602 18.115 0.00 0.00 SOLV ATOM 22936 OH2 TIP3 5648 12.050 -26.002 18.239 0.00 0.00 SOLV ATOM 22937 H1 TIP3 5648 11.855 -27.005 18.215 0.00 0.00 SOLV ATOM 22938 H2 TIP3 5648 12.487 -25.782 19.072 0.00 0.00 SOLV ATOM 22939 OH2 TIP3 5649 -9.388 -20.486 43.744 0.00 0.00 SOLV ATOM 22940 H1 TIP3 5649 -9.224 -19.732 43.056 0.00 0.00 SOLV ATOM 22941 H2 TIP3 5649 -8.680 -20.395 44.416 0.00 0.00 SOLV ATOM 22942 OH2 TIP3 5650 9.449 -25.605 27.478 0.00 0.00 SOLV ATOM 22943 H1 TIP3 5650 9.625 -24.643 27.235 0.00 0.00 SOLV ATOM 22944 H2 TIP3 5650 10.357 -26.029 27.461 0.00 0.00 SOLV ATOM 22945 OH2 TIP3 5651 1.739 -12.399 46.985 0.00 0.00 SOLV ATOM 22946 H1 TIP3 5651 2.338 -12.833 47.610 0.00 0.00 SOLV ATOM 22947 H2 TIP3 5651 0.971 -12.136 47.579 0.00 0.00 SOLV ATOM 22948 OH2 TIP3 5652 13.974 -34.522 35.886 0.00 0.00 SOLV ATOM 22949 H1 TIP3 5652 14.884 -34.347 35.627 0.00 0.00 SOLV ATOM 22950 H2 TIP3 5652 13.749 -35.277 35.313 0.00 0.00 SOLV ATOM 22951 OH2 TIP3 5653 8.301 -31.624 44.748 0.00 0.00 SOLV ATOM 22952 H1 TIP3 5653 8.848 -30.896 45.153 0.00 0.00 SOLV ATOM 22953 H2 TIP3 5653 8.908 -32.311 44.616 0.00 0.00 SOLV ATOM 22954 OH2 TIP3 5654 14.905 -24.097 45.326 0.00 0.00 SOLV ATOM 22955 H1 TIP3 5654 13.981 -24.147 45.489 0.00 0.00 SOLV ATOM 22956 H2 TIP3 5654 14.930 -24.245 44.396 0.00 0.00 SOLV ATOM 22957 OH2 TIP3 5655 7.111 -14.273 51.841 0.00 0.00 SOLV ATOM 22958 H1 TIP3 5655 6.647 -14.856 51.278 0.00 0.00 SOLV ATOM 22959 H2 TIP3 5655 6.446 -13.557 52.101 0.00 0.00 SOLV ATOM 22960 OH2 TIP3 5656 13.382 -16.665 10.105 0.00 0.00 SOLV ATOM 22961 H1 TIP3 5656 13.442 -17.590 10.379 0.00 0.00 SOLV ATOM 22962 H2 TIP3 5656 14.083 -16.596 9.445 0.00 0.00 SOLV ATOM 22963 OH2 TIP3 5657 17.411 -19.709 12.353 0.00 0.00 SOLV ATOM 22964 H1 TIP3 5657 17.771 -19.591 11.469 0.00 0.00 SOLV ATOM 22965 H2 TIP3 5657 18.248 -19.896 12.838 0.00 0.00 SOLV ATOM 22966 OH2 TIP3 5658 7.954 -21.792 25.384 0.00 0.00 SOLV ATOM 22967 H1 TIP3 5658 8.271 -20.885 25.400 0.00 0.00 SOLV ATOM 22968 H2 TIP3 5658 8.554 -22.222 26.019 0.00 0.00 SOLV ATOM 22969 OH2 TIP3 5659 6.218 -13.650 45.113 0.00 0.00 SOLV ATOM 22970 H1 TIP3 5659 7.152 -13.849 44.889 0.00 0.00 SOLV ATOM 22971 H2 TIP3 5659 6.101 -14.133 45.991 0.00 0.00 SOLV ATOM 22972 OH2 TIP3 5660 20.393 2.224 31.580 0.00 0.00 SOLV ATOM 22973 H1 TIP3 5660 20.633 1.636 32.307 0.00 0.00 SOLV ATOM 22974 H2 TIP3 5660 19.399 2.224 31.666 0.00 0.00 SOLV ATOM 22975 OH2 TIP3 5661 -1.830 -34.326 16.431 0.00 0.00 SOLV ATOM 22976 H1 TIP3 5661 -1.969 -35.310 16.283 0.00 0.00 SOLV ATOM 22977 H2 TIP3 5661 -2.517 -34.183 17.030 0.00 0.00 SOLV ATOM 22978 OH2 TIP3 5662 13.935 -26.465 42.953 0.00 0.00 SOLV ATOM 22979 H1 TIP3 5662 13.172 -26.239 42.429 0.00 0.00 SOLV ATOM 22980 H2 TIP3 5662 14.573 -25.823 42.660 0.00 0.00 SOLV ATOM 22981 OH2 TIP3 5663 9.090 -28.561 45.214 0.00 0.00 SOLV ATOM 22982 H1 TIP3 5663 9.067 -28.337 44.274 0.00 0.00 SOLV ATOM 22983 H2 TIP3 5663 9.997 -28.635 45.454 0.00 0.00 SOLV ATOM 22984 OH2 TIP3 5664 9.122 -9.023 52.816 0.00 0.00 SOLV ATOM 22985 H1 TIP3 5664 9.923 -9.684 52.801 0.00 0.00 SOLV ATOM 22986 H2 TIP3 5664 8.426 -9.393 53.375 0.00 0.00 SOLV ATOM 22987 OH2 TIP3 5665 18.146 -21.893 15.968 0.00 0.00 SOLV ATOM 22988 H1 TIP3 5665 18.094 -20.974 15.814 0.00 0.00 SOLV ATOM 22989 H2 TIP3 5665 17.273 -22.256 15.732 0.00 0.00 SOLV ATOM 22990 OH2 TIP3 5666 13.995 -1.978 27.554 0.00 0.00 SOLV ATOM 22991 H1 TIP3 5666 14.950 -2.267 27.580 0.00 0.00 SOLV ATOM 22992 H2 TIP3 5666 13.664 -2.382 26.726 0.00 0.00 SOLV ATOM 22993 OH2 TIP3 5667 19.070 -16.518 32.285 0.00 0.00 SOLV ATOM 22994 H1 TIP3 5667 18.265 -16.641 32.694 0.00 0.00 SOLV ATOM 22995 H2 TIP3 5667 18.899 -15.835 31.576 0.00 0.00 SOLV ATOM 22996 OH2 TIP3 5668 17.035 -25.171 19.199 0.00 0.00 SOLV ATOM 22997 H1 TIP3 5668 17.225 -25.141 20.095 0.00 0.00 SOLV ATOM 22998 H2 TIP3 5668 16.002 -25.244 19.199 0.00 0.00 SOLV ATOM 22999 OH2 TIP3 5669 16.784 -9.411 19.921 0.00 0.00 SOLV ATOM 23000 H1 TIP3 5669 17.748 -9.168 19.969 0.00 0.00 SOLV ATOM 23001 H2 TIP3 5669 16.687 -9.397 18.976 0.00 0.00 SOLV ATOM 23002 OH2 TIP3 5670 13.280 -11.565 38.019 0.00 0.00 SOLV ATOM 23003 H1 TIP3 5670 13.796 -11.228 37.305 0.00 0.00 SOLV ATOM 23004 H2 TIP3 5670 13.754 -11.345 38.826 0.00 0.00 SOLV ATOM 23005 OH2 TIP3 5671 9.907 -2.692 34.124 0.00 0.00 SOLV ATOM 23006 H1 TIP3 5671 9.689 -3.592 33.753 0.00 0.00 SOLV ATOM 23007 H2 TIP3 5671 9.197 -2.092 33.708 0.00 0.00 SOLV ATOM 23008 OH2 TIP3 5672 -0.677 -3.130 34.323 0.00 0.00 SOLV ATOM 23009 H1 TIP3 5672 -0.587 -2.377 33.661 0.00 0.00 SOLV ATOM 23010 H2 TIP3 5672 -1.456 -3.672 33.913 0.00 0.00 SOLV ATOM 23011 OH2 TIP3 5673 -6.287 -9.129 42.168 0.00 0.00 SOLV ATOM 23012 H1 TIP3 5673 -5.343 -9.277 42.352 0.00 0.00 SOLV ATOM 23013 H2 TIP3 5673 -6.643 -10.043 42.354 0.00 0.00 SOLV ATOM 23014 OH2 TIP3 5674 14.298 -13.493 47.574 0.00 0.00 SOLV ATOM 23015 H1 TIP3 5674 13.974 -12.591 47.940 0.00 0.00 SOLV ATOM 23016 H2 TIP3 5674 13.494 -13.984 47.362 0.00 0.00 SOLV ATOM 23017 OH2 TIP3 5675 11.527 -15.894 7.850 0.00 0.00 SOLV ATOM 23018 H1 TIP3 5675 11.272 -16.513 8.525 0.00 0.00 SOLV ATOM 23019 H2 TIP3 5675 10.742 -15.425 7.697 0.00 0.00 SOLV ATOM 23020 OH2 TIP3 5676 14.035 -9.796 18.644 0.00 0.00 SOLV ATOM 23021 H1 TIP3 5676 13.617 -10.531 18.708 0.00 0.00 SOLV ATOM 23022 H2 TIP3 5676 14.422 -9.763 19.518 0.00 0.00 SOLV ATOM 23023 OH2 TIP3 5677 5.069 -3.180 31.850 0.00 0.00 SOLV ATOM 23024 H1 TIP3 5677 4.368 -3.290 32.544 0.00 0.00 SOLV ATOM 23025 H2 TIP3 5677 5.567 -2.448 32.195 0.00 0.00 SOLV ATOM 23026 OH2 TIP3 5678 12.759 -17.278 34.245 0.00 0.00 SOLV ATOM 23027 H1 TIP3 5678 12.740 -16.556 34.937 0.00 0.00 SOLV ATOM 23028 H2 TIP3 5678 12.016 -17.883 34.643 0.00 0.00 SOLV ATOM 23029 OH2 TIP3 5679 4.674 -19.783 37.824 0.00 0.00 SOLV ATOM 23030 H1 TIP3 5679 4.268 -20.671 37.702 0.00 0.00 SOLV ATOM 23031 H2 TIP3 5679 4.407 -19.418 38.676 0.00 0.00 SOLV ATOM 23032 OH2 TIP3 5680 16.323 -11.781 21.647 0.00 0.00 SOLV ATOM 23033 H1 TIP3 5680 15.930 -10.915 21.587 0.00 0.00 SOLV ATOM 23034 H2 TIP3 5680 17.210 -11.608 22.067 0.00 0.00 SOLV ATOM 23035 OH2 TIP3 5681 -11.025 -26.343 33.634 0.00 0.00 SOLV ATOM 23036 H1 TIP3 5681 -10.533 -26.902 34.283 0.00 0.00 SOLV ATOM 23037 H2 TIP3 5681 -11.832 -26.068 34.079 0.00 0.00 SOLV ATOM 23038 OH2 TIP3 5682 9.618 -5.648 41.009 0.00 0.00 SOLV ATOM 23039 H1 TIP3 5682 8.986 -5.818 41.779 0.00 0.00 SOLV ATOM 23040 H2 TIP3 5682 9.018 -5.133 40.404 0.00 0.00 SOLV ATOM 23041 OH2 TIP3 5683 9.619 -3.213 45.215 0.00 0.00 SOLV ATOM 23042 H1 TIP3 5683 9.713 -2.248 45.192 0.00 0.00 SOLV ATOM 23043 H2 TIP3 5683 8.949 -3.326 45.889 0.00 0.00 SOLV ATOM 23044 OH2 TIP3 5684 11.379 -13.618 45.033 0.00 0.00 SOLV ATOM 23045 H1 TIP3 5684 11.360 -12.710 45.434 0.00 0.00 SOLV ATOM 23046 H2 TIP3 5684 11.758 -14.154 45.731 0.00 0.00 SOLV ATOM 23047 OH2 TIP3 5685 -6.696 -17.434 7.359 0.00 0.00 SOLV ATOM 23048 H1 TIP3 5685 -6.781 -17.834 6.472 0.00 0.00 SOLV ATOM 23049 H2 TIP3 5685 -7.588 -17.591 7.716 0.00 0.00 SOLV ATOM 23050 OH2 TIP3 5686 14.635 -5.758 28.895 0.00 0.00 SOLV ATOM 23051 H1 TIP3 5686 15.337 -5.061 28.861 0.00 0.00 SOLV ATOM 23052 H2 TIP3 5686 13.987 -5.539 28.233 0.00 0.00 SOLV ATOM 23053 OH2 TIP3 5687 -13.992 -17.889 43.052 0.00 0.00 SOLV ATOM 23054 H1 TIP3 5687 -13.653 -17.419 42.286 0.00 0.00 SOLV ATOM 23055 H2 TIP3 5687 -13.261 -17.811 43.627 0.00 0.00 SOLV ATOM 23056 OH2 TIP3 5688 17.774 -0.903 18.683 0.00 0.00 SOLV ATOM 23057 H1 TIP3 5688 17.974 -1.059 17.760 0.00 0.00 SOLV ATOM 23058 H2 TIP3 5688 16.909 -1.342 18.752 0.00 0.00 SOLV ATOM 23059 OH2 TIP3 5689 10.116 -8.108 31.264 0.00 0.00 SOLV ATOM 23060 H1 TIP3 5689 10.447 -7.247 31.538 0.00 0.00 SOLV ATOM 23061 H2 TIP3 5689 10.998 -8.465 31.061 0.00 0.00 SOLV ATOM 23062 OH2 TIP3 5690 15.403 -0.587 20.689 0.00 0.00 SOLV ATOM 23063 H1 TIP3 5690 16.126 -1.097 21.095 0.00 0.00 SOLV ATOM 23064 H2 TIP3 5690 15.114 -1.157 20.004 0.00 0.00 SOLV ATOM 23065 OH2 TIP3 5691 11.487 -6.505 37.000 0.00 0.00 SOLV ATOM 23066 H1 TIP3 5691 11.304 -5.696 37.478 0.00 0.00 SOLV ATOM 23067 H2 TIP3 5691 12.017 -6.979 37.658 0.00 0.00 SOLV ATOM 23068 OH2 TIP3 5692 1.173 -2.229 32.587 0.00 0.00 SOLV ATOM 23069 H1 TIP3 5692 2.000 -1.882 32.648 0.00 0.00 SOLV ATOM 23070 H2 TIP3 5692 1.075 -2.658 33.432 0.00 0.00 SOLV ATOM 23071 OH2 TIP3 5693 8.241 9.694 47.111 0.00 0.00 SOLV ATOM 23072 H1 TIP3 5693 8.428 8.802 46.861 0.00 0.00 SOLV ATOM 23073 H2 TIP3 5693 7.617 9.901 46.427 0.00 0.00 SOLV ATOM 23074 OH2 TIP3 5694 16.008 -2.093 8.556 0.00 0.00 SOLV ATOM 23075 H1 TIP3 5694 15.685 -2.810 8.010 0.00 0.00 SOLV ATOM 23076 H2 TIP3 5694 15.996 -1.292 7.981 0.00 0.00 SOLV ATOM 23077 OH2 TIP3 5695 20.517 -3.148 9.370 0.00 0.00 SOLV ATOM 23078 H1 TIP3 5695 21.173 -2.849 8.712 0.00 0.00 SOLV ATOM 23079 H2 TIP3 5695 19.934 -2.385 9.392 0.00 0.00 SOLV ATOM 23080 OH2 TIP3 5696 15.627 -0.409 12.688 0.00 0.00 SOLV ATOM 23081 H1 TIP3 5696 16.216 -0.959 13.234 0.00 0.00 SOLV ATOM 23082 H2 TIP3 5696 15.290 0.231 13.365 0.00 0.00 SOLV ATOM 23083 OH2 TIP3 5697 19.673 -3.877 14.514 0.00 0.00 SOLV ATOM 23084 H1 TIP3 5697 19.982 -4.165 13.639 0.00 0.00 SOLV ATOM 23085 H2 TIP3 5697 19.841 -4.637 15.040 0.00 0.00 SOLV ATOM 23086 OH2 TIP3 5698 15.660 2.924 30.109 0.00 0.00 SOLV ATOM 23087 H1 TIP3 5698 15.147 3.755 30.140 0.00 0.00 SOLV ATOM 23088 H2 TIP3 5698 16.347 3.056 29.416 0.00 0.00 SOLV ATOM 23089 OH2 TIP3 5699 13.680 -2.196 39.189 0.00 0.00 SOLV ATOM 23090 H1 TIP3 5699 13.683 -2.259 38.191 0.00 0.00 SOLV ATOM 23091 H2 TIP3 5699 14.342 -2.855 39.460 0.00 0.00 SOLV ATOM 23092 OH2 TIP3 5700 12.638 -7.778 35.004 0.00 0.00 SOLV ATOM 23093 H1 TIP3 5700 11.860 -8.243 34.796 0.00 0.00 SOLV ATOM 23094 H2 TIP3 5700 12.379 -7.309 35.822 0.00 0.00 SOLV ATOM 23095 OH2 TIP3 5701 -26.877 -6.537 32.313 0.00 0.00 SOLV ATOM 23096 H1 TIP3 5701 -26.490 -6.564 33.210 0.00 0.00 SOLV ATOM 23097 H2 TIP3 5701 -26.608 -5.653 31.935 0.00 0.00 SOLV ATOM 23098 OH2 TIP3 5702 18.151 7.410 11.219 0.00 0.00 SOLV ATOM 23099 H1 TIP3 5702 17.950 6.680 11.877 0.00 0.00 SOLV ATOM 23100 H2 TIP3 5702 18.345 8.223 11.665 0.00 0.00 SOLV ATOM 23101 OH2 TIP3 5703 10.918 -9.962 36.821 0.00 0.00 SOLV ATOM 23102 H1 TIP3 5703 11.463 -10.780 36.935 0.00 0.00 SOLV ATOM 23103 H2 TIP3 5703 10.697 -10.024 35.873 0.00 0.00 SOLV ATOM 23104 OH2 TIP3 5704 7.083 11.609 25.529 0.00 0.00 SOLV ATOM 23105 H1 TIP3 5704 7.642 11.451 24.717 0.00 0.00 SOLV ATOM 23106 H2 TIP3 5704 7.583 12.258 26.047 0.00 0.00 SOLV ATOM 23107 OH2 TIP3 5705 -10.917 24.504 4.810 0.00 0.00 SOLV ATOM 23108 H1 TIP3 5705 -10.126 24.040 5.085 0.00 0.00 SOLV ATOM 23109 H2 TIP3 5705 -11.633 24.078 5.340 0.00 0.00 SOLV ATOM 23110 OH2 TIP3 5706 19.799 -7.819 34.944 0.00 0.00 SOLV ATOM 23111 H1 TIP3 5706 18.884 -8.062 35.214 0.00 0.00 SOLV ATOM 23112 H2 TIP3 5706 19.745 -6.844 34.821 0.00 0.00 SOLV ATOM 23113 OH2 TIP3 5707 -4.067 -6.939 43.706 0.00 0.00 SOLV ATOM 23114 H1 TIP3 5707 -4.050 -7.956 43.876 0.00 0.00 SOLV ATOM 23115 H2 TIP3 5707 -4.594 -6.664 44.448 0.00 0.00 SOLV ATOM 23116 OH2 TIP3 5708 17.182 -23.189 40.830 0.00 0.00 SOLV ATOM 23117 H1 TIP3 5708 17.790 -22.497 41.122 0.00 0.00 SOLV ATOM 23118 H2 TIP3 5708 16.900 -22.831 39.939 0.00 0.00 SOLV ATOM 23119 OH2 TIP3 5709 18.643 -1.586 16.051 0.00 0.00 SOLV ATOM 23120 H1 TIP3 5709 19.071 -2.358 15.669 0.00 0.00 SOLV ATOM 23121 H2 TIP3 5709 17.913 -1.485 15.414 0.00 0.00 SOLV ATOM 23122 OH2 TIP3 5710 7.966 4.839 3.146 0.00 0.00 SOLV ATOM 23123 H1 TIP3 5710 7.937 4.340 3.960 0.00 0.00 SOLV ATOM 23124 H2 TIP3 5710 8.882 5.104 3.058 0.00 0.00 SOLV ATOM 23125 OH2 TIP3 5711 10.650 -13.383 35.460 0.00 0.00 SOLV ATOM 23126 H1 TIP3 5711 10.281 -13.273 36.363 0.00 0.00 SOLV ATOM 23127 H2 TIP3 5711 9.963 -12.931 34.927 0.00 0.00 SOLV ATOM 23128 OH2 TIP3 5712 1.189 2.157 2.332 0.00 0.00 SOLV ATOM 23129 H1 TIP3 5712 1.473 2.825 1.662 0.00 0.00 SOLV ATOM 23130 H2 TIP3 5712 1.143 1.286 1.797 0.00 0.00 SOLV ATOM 23131 OH2 TIP3 5713 -13.750 17.296 14.288 0.00 0.00 SOLV ATOM 23132 H1 TIP3 5713 -14.685 17.408 14.508 0.00 0.00 SOLV ATOM 23133 H2 TIP3 5713 -13.746 16.314 14.341 0.00 0.00 SOLV ATOM 23134 OH2 TIP3 5714 3.571 3.479 38.448 0.00 0.00 SOLV ATOM 23135 H1 TIP3 5714 4.246 3.968 38.932 0.00 0.00 SOLV ATOM 23136 H2 TIP3 5714 3.128 4.133 37.878 0.00 0.00 SOLV ATOM 23137 OH2 TIP3 5715 12.780 0.388 38.131 0.00 0.00 SOLV ATOM 23138 H1 TIP3 5715 12.028 0.892 37.776 0.00 0.00 SOLV ATOM 23139 H2 TIP3 5715 12.798 -0.421 37.655 0.00 0.00 SOLV ATOM 23140 OH2 TIP3 5716 17.050 7.229 33.879 0.00 0.00 SOLV ATOM 23141 H1 TIP3 5716 17.526 7.733 34.521 0.00 0.00 SOLV ATOM 23142 H2 TIP3 5716 17.524 7.373 33.016 0.00 0.00 SOLV ATOM 23143 OH2 TIP3 5717 -25.435 -0.355 38.075 0.00 0.00 SOLV ATOM 23144 H1 TIP3 5717 -24.581 0.083 38.323 0.00 0.00 SOLV ATOM 23145 H2 TIP3 5717 -25.492 -0.111 37.153 0.00 0.00 SOLV ATOM 23146 OH2 TIP3 5718 17.992 12.056 13.487 0.00 0.00 SOLV ATOM 23147 H1 TIP3 5718 18.184 12.946 13.959 0.00 0.00 SOLV ATOM 23148 H2 TIP3 5718 17.082 11.967 13.635 0.00 0.00 SOLV ATOM 23149 OH2 TIP3 5719 17.737 -0.208 31.783 0.00 0.00 SOLV ATOM 23150 H1 TIP3 5719 17.204 -0.911 31.401 0.00 0.00 SOLV ATOM 23151 H2 TIP3 5719 18.631 -0.458 31.412 0.00 0.00 SOLV ATOM 23152 OH2 TIP3 5720 23.546 10.447 13.762 0.00 0.00 SOLV ATOM 23153 H1 TIP3 5720 22.739 10.529 14.316 0.00 0.00 SOLV ATOM 23154 H2 TIP3 5720 23.448 11.131 13.051 0.00 0.00 SOLV ATOM 23155 OH2 TIP3 5721 -19.942 12.584 -2.122 0.00 0.00 SOLV ATOM 23156 H1 TIP3 5721 -19.168 11.984 -2.273 0.00 0.00 SOLV ATOM 23157 H2 TIP3 5721 -20.422 11.986 -1.504 0.00 0.00 SOLV ATOM 23158 OH2 TIP3 5722 5.673 12.113 30.962 0.00 0.00 SOLV ATOM 23159 H1 TIP3 5722 5.241 11.330 31.434 0.00 0.00 SOLV ATOM 23160 H2 TIP3 5722 4.971 12.741 31.098 0.00 0.00 SOLV ATOM 23161 OH2 TIP3 5723 5.075 7.470 44.099 0.00 0.00 SOLV ATOM 23162 H1 TIP3 5723 4.244 6.933 43.961 0.00 0.00 SOLV ATOM 23163 H2 TIP3 5723 5.478 6.944 44.821 0.00 0.00 SOLV ATOM 23164 OH2 TIP3 5724 5.672 2.437 6.533 0.00 0.00 SOLV ATOM 23165 H1 TIP3 5724 5.711 2.334 7.468 0.00 0.00 SOLV ATOM 23166 H2 TIP3 5724 4.748 2.657 6.376 0.00 0.00 SOLV ATOM 23167 OH2 TIP3 5725 9.282 16.616 28.221 0.00 0.00 SOLV ATOM 23168 H1 TIP3 5725 8.714 16.649 27.425 0.00 0.00 SOLV ATOM 23169 H2 TIP3 5725 10.034 16.074 27.984 0.00 0.00 SOLV ATOM 23170 OH2 TIP3 5726 -0.631 9.252 6.261 0.00 0.00 SOLV ATOM 23171 H1 TIP3 5726 -0.137 8.756 6.824 0.00 0.00 SOLV ATOM 23172 H2 TIP3 5726 -1.214 9.661 6.836 0.00 0.00 SOLV ATOM 23173 OH2 TIP3 5727 7.122 -40.163 24.517 0.00 0.00 SOLV ATOM 23174 H1 TIP3 5727 7.791 -39.743 23.989 0.00 0.00 SOLV ATOM 23175 H2 TIP3 5727 6.355 -40.173 23.993 0.00 0.00 SOLV ATOM 23176 OH2 TIP3 5728 19.861 13.846 28.288 0.00 0.00 SOLV ATOM 23177 H1 TIP3 5728 19.966 14.422 29.103 0.00 0.00 SOLV ATOM 23178 H2 TIP3 5728 20.677 13.265 28.263 0.00 0.00 SOLV ATOM 23179 OH2 TIP3 5729 -0.321 3.958 43.274 0.00 0.00 SOLV ATOM 23180 H1 TIP3 5729 -0.032 4.436 42.496 0.00 0.00 SOLV ATOM 23181 H2 TIP3 5729 0.392 4.157 43.859 0.00 0.00 SOLV ATOM 23182 OH2 TIP3 5730 20.915 13.835 15.574 0.00 0.00 SOLV ATOM 23183 H1 TIP3 5730 20.641 13.798 14.602 0.00 0.00 SOLV ATOM 23184 H2 TIP3 5730 20.034 13.597 15.918 0.00 0.00 SOLV ATOM 23185 OH2 TIP3 5731 -3.556 12.028 35.024 0.00 0.00 SOLV ATOM 23186 H1 TIP3 5731 -3.880 12.173 34.096 0.00 0.00 SOLV ATOM 23187 H2 TIP3 5731 -3.274 11.091 35.003 0.00 0.00 SOLV ATOM 23188 OH2 TIP3 5732 -14.273 -2.600 30.717 0.00 0.00 SOLV ATOM 23189 H1 TIP3 5732 -14.282 -3.455 31.210 0.00 0.00 SOLV ATOM 23190 H2 TIP3 5732 -14.595 -2.852 29.859 0.00 0.00 SOLV ATOM 23191 OH2 TIP3 5733 -3.559 -25.858 15.857 0.00 0.00 SOLV ATOM 23192 H1 TIP3 5733 -4.506 -26.218 15.805 0.00 0.00 SOLV ATOM 23193 H2 TIP3 5733 -3.252 -25.613 14.978 0.00 0.00 SOLV ATOM 23194 OH2 TIP3 5734 16.587 -3.320 27.806 0.00 0.00 SOLV ATOM 23195 H1 TIP3 5734 16.353 -3.785 26.967 0.00 0.00 SOLV ATOM 23196 H2 TIP3 5734 17.570 -3.377 27.837 0.00 0.00 SOLV ATOM 23197 OH2 TIP3 5735 19.041 -25.186 21.166 0.00 0.00 SOLV ATOM 23198 H1 TIP3 5735 19.889 -25.240 21.652 0.00 0.00 SOLV ATOM 23199 H2 TIP3 5735 18.365 -25.583 21.798 0.00 0.00 SOLV ATOM 23200 OH2 TIP3 5736 17.960 1.306 9.242 0.00 0.00 SOLV ATOM 23201 H1 TIP3 5736 17.668 1.743 10.126 0.00 0.00 SOLV ATOM 23202 H2 TIP3 5736 17.653 1.920 8.572 0.00 0.00 SOLV ATOM 23203 OH2 TIP3 5737 10.307 -34.100 20.949 0.00 0.00 SOLV ATOM 23204 H1 TIP3 5737 9.896 -34.578 20.205 0.00 0.00 SOLV ATOM 23205 H2 TIP3 5737 10.110 -34.662 21.698 0.00 0.00 SOLV ATOM 23206 OH2 TIP3 5738 5.273 -37.199 25.071 0.00 0.00 SOLV ATOM 23207 H1 TIP3 5738 5.351 -36.232 24.959 0.00 0.00 SOLV ATOM 23208 H2 TIP3 5738 6.042 -37.490 24.554 0.00 0.00 SOLV ATOM 23209 OH2 TIP3 5739 10.232 -36.058 23.101 0.00 0.00 SOLV ATOM 23210 H1 TIP3 5739 10.719 -36.397 23.871 0.00 0.00 SOLV ATOM 23211 H2 TIP3 5739 9.385 -36.457 23.247 0.00 0.00 SOLV ATOM 23212 OH2 TIP3 5740 17.794 3.015 27.967 0.00 0.00 SOLV ATOM 23213 H1 TIP3 5740 18.110 3.073 27.015 0.00 0.00 SOLV ATOM 23214 H2 TIP3 5740 18.256 3.734 28.407 0.00 0.00 SOLV ATOM 23215 OH2 TIP3 5741 18.637 16.162 30.166 0.00 0.00 SOLV ATOM 23216 H1 TIP3 5741 18.421 17.129 30.402 0.00 0.00 SOLV ATOM 23217 H2 TIP3 5741 18.638 15.726 31.027 0.00 0.00 SOLV ATOM 23218 OH2 TIP3 5742 -7.047 -42.595 29.861 0.00 0.00 SOLV ATOM 23219 H1 TIP3 5742 -6.696 -43.391 29.358 0.00 0.00 SOLV ATOM 23220 H2 TIP3 5742 -6.433 -41.876 29.616 0.00 0.00 SOLV ATOM 23221 OH2 TIP3 5743 8.645 -29.169 39.266 0.00 0.00 SOLV ATOM 23222 H1 TIP3 5743 9.578 -28.791 39.093 0.00 0.00 SOLV ATOM 23223 H2 TIP3 5743 8.863 -30.021 39.627 0.00 0.00 SOLV ATOM 23224 OH2 TIP3 5744 14.487 -29.730 14.656 0.00 0.00 SOLV ATOM 23225 H1 TIP3 5744 14.189 -30.473 15.245 0.00 0.00 SOLV ATOM 23226 H2 TIP3 5744 15.339 -29.422 15.121 0.00 0.00 SOLV ATOM 23227 OH2 TIP3 5745 14.935 -22.039 15.800 0.00 0.00 SOLV ATOM 23228 H1 TIP3 5745 15.424 -22.771 15.290 0.00 0.00 SOLV ATOM 23229 H2 TIP3 5745 14.652 -22.591 16.564 0.00 0.00 SOLV ATOM 23230 OH2 TIP3 5746 17.168 -27.752 36.973 0.00 0.00 SOLV ATOM 23231 H1 TIP3 5746 16.267 -27.826 37.418 0.00 0.00 SOLV ATOM 23232 H2 TIP3 5746 17.284 -26.851 36.792 0.00 0.00 SOLV ATOM 23233 OH2 TIP3 5747 18.848 -25.848 41.019 0.00 0.00 SOLV ATOM 23234 H1 TIP3 5747 18.609 -24.919 41.136 0.00 0.00 SOLV ATOM 23235 H2 TIP3 5747 19.420 -25.919 40.231 0.00 0.00 SOLV ATOM 23236 OH2 TIP3 5748 8.649 -36.179 9.380 0.00 0.00 SOLV ATOM 23237 H1 TIP3 5748 8.375 -37.112 9.174 0.00 0.00 SOLV ATOM 23238 H2 TIP3 5748 9.337 -36.289 10.088 0.00 0.00 SOLV ATOM 23239 OH2 TIP3 5749 9.555 -39.787 23.372 0.00 0.00 SOLV ATOM 23240 H1 TIP3 5749 10.166 -39.618 24.117 0.00 0.00 SOLV ATOM 23241 H2 TIP3 5749 10.084 -40.352 22.816 0.00 0.00 SOLV ATOM 23242 OH2 TIP3 5750 12.146 -29.071 7.592 0.00 0.00 SOLV ATOM 23243 H1 TIP3 5750 13.063 -28.885 7.167 0.00 0.00 SOLV ATOM 23244 H2 TIP3 5750 12.206 -28.514 8.365 0.00 0.00 SOLV ATOM 23245 OH2 TIP3 5751 12.190 -32.225 35.804 0.00 0.00 SOLV ATOM 23246 H1 TIP3 5751 12.619 -32.824 36.348 0.00 0.00 SOLV ATOM 23247 H2 TIP3 5751 12.804 -32.201 35.041 0.00 0.00 SOLV ATOM 23248 OH2 TIP3 5752 -9.961 4.715 26.660 0.00 0.00 SOLV ATOM 23249 H1 TIP3 5752 -10.242 4.434 27.542 0.00 0.00 SOLV ATOM 23250 H2 TIP3 5752 -9.928 5.691 26.745 0.00 0.00 SOLV ATOM 23251 OH2 TIP3 5753 16.535 -28.627 26.754 0.00 0.00 SOLV ATOM 23252 H1 TIP3 5753 17.208 -27.920 26.663 0.00 0.00 SOLV ATOM 23253 H2 TIP3 5753 16.800 -29.105 27.507 0.00 0.00 SOLV ATOM 23254 OH2 TIP3 5754 18.428 -21.542 9.116 0.00 0.00 SOLV ATOM 23255 H1 TIP3 5754 18.204 -22.258 8.544 0.00 0.00 SOLV ATOM 23256 H2 TIP3 5754 17.618 -21.042 9.177 0.00 0.00 SOLV ATOM 23257 OH2 TIP3 5755 10.534 -30.736 34.413 0.00 0.00 SOLV ATOM 23258 H1 TIP3 5755 11.211 -31.239 34.883 0.00 0.00 SOLV ATOM 23259 H2 TIP3 5755 9.974 -31.470 33.957 0.00 0.00 SOLV ATOM 23260 OH2 TIP3 5756 11.633 15.678 27.137 0.00 0.00 SOLV ATOM 23261 H1 TIP3 5756 11.882 16.476 27.594 0.00 0.00 SOLV ATOM 23262 H2 TIP3 5756 12.270 14.982 27.435 0.00 0.00 SOLV ATOM 23263 OH2 TIP3 5757 5.653 -27.879 8.610 0.00 0.00 SOLV ATOM 23264 H1 TIP3 5757 4.896 -27.950 7.977 0.00 0.00 SOLV ATOM 23265 H2 TIP3 5757 5.846 -28.745 8.954 0.00 0.00 SOLV ATOM 23266 OH2 TIP3 5758 16.874 -19.166 9.709 0.00 0.00 SOLV ATOM 23267 H1 TIP3 5758 15.972 -19.415 9.801 0.00 0.00 SOLV ATOM 23268 H2 TIP3 5758 16.811 -18.295 9.320 0.00 0.00 SOLV ATOM 23269 OH2 TIP3 5759 19.760 -13.683 21.701 0.00 0.00 SOLV ATOM 23270 H1 TIP3 5759 20.250 -13.641 22.480 0.00 0.00 SOLV ATOM 23271 H2 TIP3 5759 19.439 -12.733 21.709 0.00 0.00 SOLV ATOM 23272 OH2 TIP3 5760 17.601 -19.070 37.202 0.00 0.00 SOLV ATOM 23273 H1 TIP3 5760 18.297 -18.424 36.968 0.00 0.00 SOLV ATOM 23274 H2 TIP3 5760 16.811 -18.466 37.142 0.00 0.00 SOLV ATOM 23275 OH2 TIP3 5761 13.663 -28.859 37.752 0.00 0.00 SOLV ATOM 23276 H1 TIP3 5761 13.453 -28.172 38.390 0.00 0.00 SOLV ATOM 23277 H2 TIP3 5761 14.116 -28.324 37.014 0.00 0.00 SOLV ATOM 23278 OH2 TIP3 5762 11.660 -17.295 16.409 0.00 0.00 SOLV ATOM 23279 H1 TIP3 5762 12.084 -18.108 16.147 0.00 0.00 SOLV ATOM 23280 H2 TIP3 5762 11.818 -17.316 17.364 0.00 0.00 SOLV ATOM 23281 OH2 TIP3 5763 8.454 -34.062 7.579 0.00 0.00 SOLV ATOM 23282 H1 TIP3 5763 8.584 -34.826 8.193 0.00 0.00 SOLV ATOM 23283 H2 TIP3 5763 8.697 -34.447 6.753 0.00 0.00 SOLV ATOM 23284 OH2 TIP3 5764 10.056 -3.967 8.603 0.00 0.00 SOLV ATOM 23285 H1 TIP3 5764 10.583 -3.190 8.626 0.00 0.00 SOLV ATOM 23286 H2 TIP3 5764 10.071 -4.208 7.659 0.00 0.00 SOLV ATOM 23287 OH2 TIP3 5765 -1.315 -44.552 13.583 0.00 0.00 SOLV ATOM 23288 H1 TIP3 5765 -1.620 -44.628 14.501 0.00 0.00 SOLV ATOM 23289 H2 TIP3 5765 -1.228 -45.432 13.287 0.00 0.00 SOLV ATOM 23290 OH2 TIP3 5766 6.802 -35.355 35.944 0.00 0.00 SOLV ATOM 23291 H1 TIP3 5766 7.627 -34.796 36.068 0.00 0.00 SOLV ATOM 23292 H2 TIP3 5766 6.969 -36.100 36.590 0.00 0.00 SOLV ATOM 23293 OH2 TIP3 5767 -14.824 -26.418 14.058 0.00 0.00 SOLV ATOM 23294 H1 TIP3 5767 -15.357 -27.236 13.957 0.00 0.00 SOLV ATOM 23295 H2 TIP3 5767 -14.366 -26.410 13.207 0.00 0.00 SOLV ATOM 23296 OH2 TIP3 5768 16.292 -28.582 23.330 0.00 0.00 SOLV ATOM 23297 H1 TIP3 5768 15.731 -28.396 22.630 0.00 0.00 SOLV ATOM 23298 H2 TIP3 5768 15.655 -28.905 24.006 0.00 0.00 SOLV ATOM 23299 OH2 TIP3 5769 16.186 -21.198 28.951 0.00 0.00 SOLV ATOM 23300 H1 TIP3 5769 16.001 -20.325 29.290 0.00 0.00 SOLV ATOM 23301 H2 TIP3 5769 16.812 -21.520 29.598 0.00 0.00 SOLV ATOM 23302 OH2 TIP3 5770 21.113 -17.496 19.172 0.00 0.00 SOLV ATOM 23303 H1 TIP3 5770 21.252 -17.504 18.210 0.00 0.00 SOLV ATOM 23304 H2 TIP3 5770 21.874 -18.036 19.539 0.00 0.00 SOLV ATOM 23305 OH2 TIP3 5771 14.027 -19.421 16.615 0.00 0.00 SOLV ATOM 23306 H1 TIP3 5771 14.384 -20.272 16.260 0.00 0.00 SOLV ATOM 23307 H2 TIP3 5771 14.768 -18.838 16.733 0.00 0.00 SOLV ATOM 23308 OH2 TIP3 5772 11.630 -22.805 8.917 0.00 0.00 SOLV ATOM 23309 H1 TIP3 5772 11.728 -23.581 9.561 0.00 0.00 SOLV ATOM 23310 H2 TIP3 5772 12.148 -23.095 8.082 0.00 0.00 SOLV ATOM 23311 OH2 TIP3 5773 17.651 -16.783 18.157 0.00 0.00 SOLV ATOM 23312 H1 TIP3 5773 17.643 -16.347 17.261 0.00 0.00 SOLV ATOM 23313 H2 TIP3 5773 18.549 -16.736 18.288 0.00 0.00 SOLV ATOM 23314 OH2 TIP3 5774 13.440 -34.094 15.038 0.00 0.00 SOLV ATOM 23315 H1 TIP3 5774 13.409 -33.228 15.180 0.00 0.00 SOLV ATOM 23316 H2 TIP3 5774 14.246 -34.332 15.496 0.00 0.00 SOLV ATOM 23317 OH2 TIP3 5775 10.600 -30.365 27.316 0.00 0.00 SOLV ATOM 23318 H1 TIP3 5775 11.301 -29.872 27.816 0.00 0.00 SOLV ATOM 23319 H2 TIP3 5775 11.054 -30.817 26.576 0.00 0.00 SOLV ATOM 23320 OH2 TIP3 5776 -27.361 -32.902 12.689 0.00 0.00 SOLV ATOM 23321 H1 TIP3 5776 -26.901 -33.606 12.292 0.00 0.00 SOLV ATOM 23322 H2 TIP3 5776 -28.245 -33.276 12.762 0.00 0.00 SOLV ATOM 23323 OH2 TIP3 5777 13.145 -23.829 13.014 0.00 0.00 SOLV ATOM 23324 H1 TIP3 5777 13.210 -22.850 13.000 0.00 0.00 SOLV ATOM 23325 H2 TIP3 5777 12.166 -24.090 13.112 0.00 0.00 SOLV ATOM 23326 OH2 TIP3 5778 22.103 -10.102 23.487 0.00 0.00 SOLV ATOM 23327 H1 TIP3 5778 22.412 -10.137 24.420 0.00 0.00 SOLV ATOM 23328 H2 TIP3 5778 22.126 -9.110 23.380 0.00 0.00 SOLV ATOM 23329 OH2 TIP3 5779 20.225 -24.723 26.473 0.00 0.00 SOLV ATOM 23330 H1 TIP3 5779 20.349 -24.055 27.115 0.00 0.00 SOLV ATOM 23331 H2 TIP3 5779 21.021 -25.294 26.460 0.00 0.00 SOLV ATOM 23332 OH2 TIP3 5780 20.100 -11.320 34.894 0.00 0.00 SOLV ATOM 23333 H1 TIP3 5780 20.976 -11.008 34.626 0.00 0.00 SOLV ATOM 23334 H2 TIP3 5780 20.121 -12.348 34.791 0.00 0.00 SOLV ATOM 23335 OH2 TIP3 5781 -1.911 -21.388 50.701 0.00 0.00 SOLV ATOM 23336 H1 TIP3 5781 -1.545 -22.229 50.875 0.00 0.00 SOLV ATOM 23337 H2 TIP3 5781 -2.162 -21.167 51.603 0.00 0.00 SOLV ATOM 23338 OH2 TIP3 5782 -0.632 -14.782 53.970 0.00 0.00 SOLV ATOM 23339 H1 TIP3 5782 -1.534 -15.136 53.733 0.00 0.00 SOLV ATOM 23340 H2 TIP3 5782 -0.585 -14.990 54.929 0.00 0.00 SOLV ATOM 23341 OH2 TIP3 5783 20.320 -20.479 23.409 0.00 0.00 SOLV ATOM 23342 H1 TIP3 5783 21.159 -20.124 23.002 0.00 0.00 SOLV ATOM 23343 H2 TIP3 5783 20.713 -20.964 24.126 0.00 0.00 SOLV ATOM 23344 OH2 TIP3 5784 17.158 -13.587 7.901 0.00 0.00 SOLV ATOM 23345 H1 TIP3 5784 17.658 -12.849 7.559 0.00 0.00 SOLV ATOM 23346 H2 TIP3 5784 17.504 -14.343 7.461 0.00 0.00 SOLV ATOM 23347 OH2 TIP3 5785 10.523 -24.682 13.357 0.00 0.00 SOLV ATOM 23348 H1 TIP3 5785 10.449 -25.286 14.119 0.00 0.00 SOLV ATOM 23349 H2 TIP3 5785 10.134 -23.858 13.630 0.00 0.00 SOLV ATOM 23350 OH2 TIP3 5786 -30.957 -12.148 21.131 0.00 0.00 SOLV ATOM 23351 H1 TIP3 5786 -30.172 -11.708 21.573 0.00 0.00 SOLV ATOM 23352 H2 TIP3 5786 -31.671 -11.638 21.365 0.00 0.00 SOLV ATOM 23353 OH2 TIP3 5787 -34.604 -10.119 32.440 0.00 0.00 SOLV ATOM 23354 H1 TIP3 5787 -34.286 -10.480 31.603 0.00 0.00 SOLV ATOM 23355 H2 TIP3 5787 -34.507 -10.850 33.083 0.00 0.00 SOLV ATOM 23356 OH2 TIP3 5788 6.134 -22.297 48.064 0.00 0.00 SOLV ATOM 23357 H1 TIP3 5788 5.369 -22.759 47.734 0.00 0.00 SOLV ATOM 23358 H2 TIP3 5788 6.872 -22.717 47.628 0.00 0.00 SOLV ATOM 23359 OH2 TIP3 5789 -32.188 -1.950 11.372 0.00 0.00 SOLV ATOM 23360 H1 TIP3 5789 -32.790 -1.342 11.878 0.00 0.00 SOLV ATOM 23361 H2 TIP3 5789 -31.345 -1.906 11.835 0.00 0.00 SOLV ATOM 23362 OH2 TIP3 5790 20.527 -23.152 30.367 0.00 0.00 SOLV ATOM 23363 H1 TIP3 5790 19.813 -23.482 29.723 0.00 0.00 SOLV ATOM 23364 H2 TIP3 5790 21.026 -23.987 30.589 0.00 0.00 SOLV ATOM 23365 OH2 TIP3 5791 16.125 -5.892 15.753 0.00 0.00 SOLV ATOM 23366 H1 TIP3 5791 15.247 -5.962 15.431 0.00 0.00 SOLV ATOM 23367 H2 TIP3 5791 16.051 -5.803 16.726 0.00 0.00 SOLV ATOM 23368 OH2 TIP3 5792 6.028 -6.897 9.619 0.00 0.00 SOLV ATOM 23369 H1 TIP3 5792 5.395 -7.399 10.158 0.00 0.00 SOLV ATOM 23370 H2 TIP3 5792 6.886 -7.213 9.929 0.00 0.00 SOLV ATOM 23371 OH2 TIP3 5793 -1.093 -15.624 -16.626 0.00 0.00 SOLV ATOM 23372 H1 TIP3 5793 -0.817 -15.967 -17.471 0.00 0.00 SOLV ATOM 23373 H2 TIP3 5793 -1.042 -16.318 -15.976 0.00 0.00 SOLV ATOM 23374 OH2 TIP3 5794 18.565 -12.148 41.665 0.00 0.00 SOLV ATOM 23375 H1 TIP3 5794 19.023 -11.749 42.481 0.00 0.00 SOLV ATOM 23376 H2 TIP3 5794 18.877 -11.503 41.011 0.00 0.00 SOLV ATOM 23377 OH2 TIP3 5795 19.583 -12.431 31.906 0.00 0.00 SOLV ATOM 23378 H1 TIP3 5795 20.277 -13.073 31.719 0.00 0.00 SOLV ATOM 23379 H2 TIP3 5795 18.859 -12.920 31.608 0.00 0.00 SOLV ATOM 23380 OH2 TIP3 5796 16.028 -1.947 30.231 0.00 0.00 SOLV ATOM 23381 H1 TIP3 5796 16.122 -2.393 29.362 0.00 0.00 SOLV ATOM 23382 H2 TIP3 5796 16.165 -2.717 30.885 0.00 0.00 SOLV ATOM 23383 OH2 TIP3 5797 19.781 -19.207 32.422 0.00 0.00 SOLV ATOM 23384 H1 TIP3 5797 19.978 -19.296 33.314 0.00 0.00 SOLV ATOM 23385 H2 TIP3 5797 19.625 -18.256 32.332 0.00 0.00 SOLV ATOM 23386 OH2 TIP3 5798 3.437 -5.279 48.372 0.00 0.00 SOLV ATOM 23387 H1 TIP3 5798 3.370 -4.622 47.694 0.00 0.00 SOLV ATOM 23388 H2 TIP3 5798 2.628 -5.111 48.919 0.00 0.00 SOLV ATOM 23389 OH2 TIP3 5799 12.796 -16.108 41.601 0.00 0.00 SOLV ATOM 23390 H1 TIP3 5799 12.558 -15.386 42.153 0.00 0.00 SOLV ATOM 23391 H2 TIP3 5799 13.543 -15.674 41.119 0.00 0.00 SOLV ATOM 23392 OH2 TIP3 5800 11.555 -26.482 46.753 0.00 0.00 SOLV ATOM 23393 H1 TIP3 5800 10.733 -26.585 47.237 0.00 0.00 SOLV ATOM 23394 H2 TIP3 5800 11.930 -27.333 46.825 0.00 0.00 SOLV ATOM 23395 OH2 TIP3 5801 18.419 8.063 15.628 0.00 0.00 SOLV ATOM 23396 H1 TIP3 5801 18.296 8.917 16.056 0.00 0.00 SOLV ATOM 23397 H2 TIP3 5801 19.348 7.861 15.934 0.00 0.00 SOLV ATOM 23398 OH2 TIP3 5802 18.646 -20.945 38.958 0.00 0.00 SOLV ATOM 23399 H1 TIP3 5802 18.107 -21.588 38.534 0.00 0.00 SOLV ATOM 23400 H2 TIP3 5802 18.392 -20.190 38.383 0.00 0.00 SOLV ATOM 23401 OH2 TIP3 5803 13.285 -22.978 27.589 0.00 0.00 SOLV ATOM 23402 H1 TIP3 5803 13.542 -23.794 27.185 0.00 0.00 SOLV ATOM 23403 H2 TIP3 5803 14.162 -22.489 27.747 0.00 0.00 SOLV ATOM 23404 OH2 TIP3 5804 18.587 -15.730 26.947 0.00 0.00 SOLV ATOM 23405 H1 TIP3 5804 18.910 -16.579 26.592 0.00 0.00 SOLV ATOM 23406 H2 TIP3 5804 18.144 -15.347 26.142 0.00 0.00 SOLV ATOM 23407 OH2 TIP3 5805 21.813 -6.520 25.854 0.00 0.00 SOLV ATOM 23408 H1 TIP3 5805 22.173 -7.041 26.617 0.00 0.00 SOLV ATOM 23409 H2 TIP3 5805 21.818 -5.600 26.170 0.00 0.00 SOLV ATOM 23410 OH2 TIP3 5806 19.237 -16.693 36.780 0.00 0.00 SOLV ATOM 23411 H1 TIP3 5806 19.503 -15.777 36.811 0.00 0.00 SOLV ATOM 23412 H2 TIP3 5806 20.038 -17.173 36.519 0.00 0.00 SOLV ATOM 23413 OH2 TIP3 5807 -1.223 -19.440 48.697 0.00 0.00 SOLV ATOM 23414 H1 TIP3 5807 -1.220 -20.337 49.089 0.00 0.00 SOLV ATOM 23415 H2 TIP3 5807 -1.542 -19.643 47.825 0.00 0.00 SOLV ATOM 23416 OH2 TIP3 5808 -9.239 -20.538 39.444 0.00 0.00 SOLV ATOM 23417 H1 TIP3 5808 -9.610 -19.632 39.717 0.00 0.00 SOLV ATOM 23418 H2 TIP3 5808 -9.251 -20.459 38.458 0.00 0.00 SOLV ATOM 23419 OH2 TIP3 5809 16.935 -13.105 14.919 0.00 0.00 SOLV ATOM 23420 H1 TIP3 5809 17.323 -12.369 14.427 0.00 0.00 SOLV ATOM 23421 H2 TIP3 5809 16.657 -12.673 15.717 0.00 0.00 SOLV ATOM 23422 OH2 TIP3 5810 12.627 -3.168 22.584 0.00 0.00 SOLV ATOM 23423 H1 TIP3 5810 11.839 -3.717 22.673 0.00 0.00 SOLV ATOM 23424 H2 TIP3 5810 13.200 -3.613 21.930 0.00 0.00 SOLV ATOM 23425 OH2 TIP3 5811 20.425 -19.856 35.437 0.00 0.00 SOLV ATOM 23426 H1 TIP3 5811 20.895 -18.989 35.346 0.00 0.00 SOLV ATOM 23427 H2 TIP3 5811 20.466 -19.987 36.436 0.00 0.00 SOLV ATOM 23428 OH2 TIP3 5812 15.750 -20.669 22.046 0.00 0.00 SOLV ATOM 23429 H1 TIP3 5812 15.934 -20.642 21.064 0.00 0.00 SOLV ATOM 23430 H2 TIP3 5812 16.552 -20.295 22.451 0.00 0.00 SOLV ATOM 23431 OH2 TIP3 5813 -10.853 -30.536 36.212 0.00 0.00 SOLV ATOM 23432 H1 TIP3 5813 -11.394 -30.628 35.447 0.00 0.00 SOLV ATOM 23433 H2 TIP3 5813 -10.726 -31.438 36.529 0.00 0.00 SOLV ATOM 23434 OH2 TIP3 5814 11.788 -26.918 26.839 0.00 0.00 SOLV ATOM 23435 H1 TIP3 5814 12.136 -27.372 27.570 0.00 0.00 SOLV ATOM 23436 H2 TIP3 5814 12.263 -27.292 26.116 0.00 0.00 SOLV ATOM 23437 OH2 TIP3 5815 14.448 -6.938 44.316 0.00 0.00 SOLV ATOM 23438 H1 TIP3 5815 14.302 -7.684 44.894 0.00 0.00 SOLV ATOM 23439 H2 TIP3 5815 13.786 -6.337 44.736 0.00 0.00 SOLV ATOM 23440 OH2 TIP3 5816 18.036 -10.461 36.659 0.00 0.00 SOLV ATOM 23441 H1 TIP3 5816 18.640 -10.972 36.100 0.00 0.00 SOLV ATOM 23442 H2 TIP3 5816 17.587 -9.815 36.106 0.00 0.00 SOLV ATOM 23443 OH2 TIP3 5817 11.619 -20.196 44.830 0.00 0.00 SOLV ATOM 23444 H1 TIP3 5817 11.496 -19.968 43.871 0.00 0.00 SOLV ATOM 23445 H2 TIP3 5817 12.453 -20.706 44.728 0.00 0.00 SOLV ATOM 23446 OH2 TIP3 5818 22.081 -14.695 23.583 0.00 0.00 SOLV ATOM 23447 H1 TIP3 5818 22.833 -14.043 23.575 0.00 0.00 SOLV ATOM 23448 H2 TIP3 5818 21.399 -14.081 23.930 0.00 0.00 SOLV ATOM 23449 OH2 TIP3 5819 18.544 3.935 15.050 0.00 0.00 SOLV ATOM 23450 H1 TIP3 5819 18.927 3.935 15.956 0.00 0.00 SOLV ATOM 23451 H2 TIP3 5819 19.271 3.528 14.542 0.00 0.00 SOLV ATOM 23452 OH2 TIP3 5820 23.431 12.278 20.070 0.00 0.00 SOLV ATOM 23453 H1 TIP3 5820 22.815 12.820 20.590 0.00 0.00 SOLV ATOM 23454 H2 TIP3 5820 23.352 12.607 19.154 0.00 0.00 SOLV ATOM 23455 OH2 TIP3 5821 19.084 -6.495 27.847 0.00 0.00 SOLV ATOM 23456 H1 TIP3 5821 18.207 -6.780 27.715 0.00 0.00 SOLV ATOM 23457 H2 TIP3 5821 19.409 -7.074 28.517 0.00 0.00 SOLV ATOM 23458 OH2 TIP3 5822 -3.141 25.988 -19.491 0.00 0.00 SOLV ATOM 23459 H1 TIP3 5822 -2.361 25.915 -18.873 0.00 0.00 SOLV ATOM 23460 H2 TIP3 5822 -3.599 25.168 -19.345 0.00 0.00 SOLV ATOM 23461 OH2 TIP3 5823 -36.476 -8.193 27.284 0.00 0.00 SOLV ATOM 23462 H1 TIP3 5823 -35.594 -8.351 27.558 0.00 0.00 SOLV ATOM 23463 H2 TIP3 5823 -36.392 -8.001 26.324 0.00 0.00 SOLV ATOM 23464 OH2 TIP3 5824 7.024 -3.502 46.285 0.00 0.00 SOLV ATOM 23465 H1 TIP3 5824 6.470 -2.773 46.583 0.00 0.00 SOLV ATOM 23466 H2 TIP3 5824 6.372 -4.237 46.146 0.00 0.00 SOLV ATOM 23467 OH2 TIP3 5825 11.989 -4.479 42.278 0.00 0.00 SOLV ATOM 23468 H1 TIP3 5825 12.157 -5.057 43.153 0.00 0.00 SOLV ATOM 23469 H2 TIP3 5825 11.090 -4.703 42.028 0.00 0.00 SOLV ATOM 23470 OH2 TIP3 5826 -34.470 -7.728 34.384 0.00 0.00 SOLV ATOM 23471 H1 TIP3 5826 -34.067 -8.332 33.757 0.00 0.00 SOLV ATOM 23472 H2 TIP3 5826 -35.126 -7.362 33.778 0.00 0.00 SOLV ATOM 23473 OH2 TIP3 5827 -35.697 -6.743 10.992 0.00 0.00 SOLV ATOM 23474 H1 TIP3 5827 -36.567 -6.681 11.365 0.00 0.00 SOLV ATOM 23475 H2 TIP3 5827 -35.868 -7.139 10.130 0.00 0.00 SOLV ATOM 23476 OH2 TIP3 5828 15.572 12.467 27.857 0.00 0.00 SOLV ATOM 23477 H1 TIP3 5828 16.290 12.415 28.493 0.00 0.00 SOLV ATOM 23478 H2 TIP3 5828 15.883 11.809 27.210 0.00 0.00 SOLV ATOM 23479 OH2 TIP3 5829 -20.762 0.261 -6.518 0.00 0.00 SOLV ATOM 23480 H1 TIP3 5829 -20.247 0.543 -5.751 0.00 0.00 SOLV ATOM 23481 H2 TIP3 5829 -21.327 1.043 -6.742 0.00 0.00 SOLV ATOM 23482 OH2 TIP3 5830 19.420 -7.599 21.933 0.00 0.00 SOLV ATOM 23483 H1 TIP3 5830 20.329 -7.832 22.159 0.00 0.00 SOLV ATOM 23484 H2 TIP3 5830 19.012 -7.242 22.774 0.00 0.00 SOLV ATOM 23485 OH2 TIP3 5831 22.168 -7.282 23.200 0.00 0.00 SOLV ATOM 23486 H1 TIP3 5831 22.943 -6.809 22.766 0.00 0.00 SOLV ATOM 23487 H2 TIP3 5831 22.112 -6.911 24.089 0.00 0.00 SOLV ATOM 23488 OH2 TIP3 5832 21.891 11.914 28.459 0.00 0.00 SOLV ATOM 23489 H1 TIP3 5832 22.626 11.528 29.045 0.00 0.00 SOLV ATOM 23490 H2 TIP3 5832 22.160 11.664 27.497 0.00 0.00 SOLV ATOM 23491 OH2 TIP3 5833 14.000 -1.974 36.425 0.00 0.00 SOLV ATOM 23492 H1 TIP3 5833 13.799 -2.556 35.658 0.00 0.00 SOLV ATOM 23493 H2 TIP3 5833 14.651 -1.319 36.024 0.00 0.00 SOLV ATOM 23494 OH2 TIP3 5834 2.562 2.481 45.521 0.00 0.00 SOLV ATOM 23495 H1 TIP3 5834 2.173 3.313 45.647 0.00 0.00 SOLV ATOM 23496 H2 TIP3 5834 1.834 1.836 45.644 0.00 0.00 SOLV ATOM 23497 OH2 TIP3 5835 -38.697 -1.466 9.193 0.00 0.00 SOLV ATOM 23498 H1 TIP3 5835 -37.757 -1.474 9.236 0.00 0.00 SOLV ATOM 23499 H2 TIP3 5835 -38.904 -1.091 8.327 0.00 0.00 SOLV ATOM 23500 OH2 TIP3 5836 20.417 15.346 18.546 0.00 0.00 SOLV ATOM 23501 H1 TIP3 5836 19.864 15.097 19.244 0.00 0.00 SOLV ATOM 23502 H2 TIP3 5836 21.287 15.325 19.006 0.00 0.00 SOLV ATOM 23503 OH2 TIP3 5837 -37.271 5.147 12.881 0.00 0.00 SOLV ATOM 23504 H1 TIP3 5837 -37.051 6.109 12.830 0.00 0.00 SOLV ATOM 23505 H2 TIP3 5837 -37.234 4.894 11.899 0.00 0.00 SOLV ATOM 23506 OH2 TIP3 5838 11.282 -5.673 32.172 0.00 0.00 SOLV ATOM 23507 H1 TIP3 5838 12.237 -5.747 32.420 0.00 0.00 SOLV ATOM 23508 H2 TIP3 5838 10.813 -5.748 33.022 0.00 0.00 SOLV ATOM 23509 OH2 TIP3 5839 20.635 2.655 13.866 0.00 0.00 SOLV ATOM 23510 H1 TIP3 5839 21.514 3.001 14.151 0.00 0.00 SOLV ATOM 23511 H2 TIP3 5839 20.641 1.738 14.304 0.00 0.00 SOLV ATOM 23512 OH2 TIP3 5840 -37.643 1.869 15.023 0.00 0.00 SOLV ATOM 23513 H1 TIP3 5840 -37.578 2.797 15.330 0.00 0.00 SOLV ATOM 23514 H2 TIP3 5840 -38.463 1.556 15.404 0.00 0.00 SOLV ATOM 23515 OH2 TIP3 5841 11.735 -4.133 29.829 0.00 0.00 SOLV ATOM 23516 H1 TIP3 5841 10.980 -4.564 30.178 0.00 0.00 SOLV ATOM 23517 H2 TIP3 5841 12.423 -4.226 30.526 0.00 0.00 SOLV ATOM 23518 OH2 TIP3 5842 22.849 -6.852 32.233 0.00 0.00 SOLV ATOM 23519 H1 TIP3 5842 23.520 -7.431 32.675 0.00 0.00 SOLV ATOM 23520 H2 TIP3 5842 23.113 -5.991 32.551 0.00 0.00 SOLV ATOM 23521 OH2 TIP3 5843 4.226 0.384 36.639 0.00 0.00 SOLV ATOM 23522 H1 TIP3 5843 3.612 -0.082 37.168 0.00 0.00 SOLV ATOM 23523 H2 TIP3 5843 4.873 0.683 37.338 0.00 0.00 SOLV ATOM 23524 OH2 TIP3 5844 26.237 19.563 -23.669 0.00 0.00 SOLV ATOM 23525 H1 TIP3 5844 27.197 19.473 -23.695 0.00 0.00 SOLV ATOM 23526 H2 TIP3 5844 26.109 20.096 -24.449 0.00 0.00 SOLV ATOM 23527 OH2 TIP3 5845 7.634 13.478 35.661 0.00 0.00 SOLV ATOM 23528 H1 TIP3 5845 8.636 13.294 35.704 0.00 0.00 SOLV ATOM 23529 H2 TIP3 5845 7.202 12.944 36.354 0.00 0.00 SOLV ATOM 23530 OH2 TIP3 5846 15.750 -10.668 26.632 0.00 0.00 SOLV ATOM 23531 H1 TIP3 5846 16.197 -11.465 26.548 0.00 0.00 SOLV ATOM 23532 H2 TIP3 5846 15.103 -10.820 27.309 0.00 0.00 SOLV ATOM 23533 OH2 TIP3 5847 11.051 0.570 23.945 0.00 0.00 SOLV ATOM 23534 H1 TIP3 5847 10.882 -0.355 24.189 0.00 0.00 SOLV ATOM 23535 H2 TIP3 5847 11.982 0.631 23.661 0.00 0.00 SOLV ATOM 23536 OH2 TIP3 5848 10.953 -13.916 40.172 0.00 0.00 SOLV ATOM 23537 H1 TIP3 5848 11.511 -13.322 40.775 0.00 0.00 SOLV ATOM 23538 H2 TIP3 5848 11.609 -14.255 39.527 0.00 0.00 SOLV ATOM 23539 OH2 TIP3 5849 20.647 12.085 23.662 0.00 0.00 SOLV ATOM 23540 H1 TIP3 5849 20.101 12.056 22.899 0.00 0.00 SOLV ATOM 23541 H2 TIP3 5849 21.073 12.979 23.611 0.00 0.00 SOLV ATOM 23542 OH2 TIP3 5850 -24.595 10.972 32.288 0.00 0.00 SOLV ATOM 23543 H1 TIP3 5850 -24.659 10.651 33.245 0.00 0.00 SOLV ATOM 23544 H2 TIP3 5850 -24.995 11.841 32.236 0.00 0.00 SOLV ATOM 23545 OH2 TIP3 5851 20.773 7.249 32.450 0.00 0.00 SOLV ATOM 23546 H1 TIP3 5851 21.303 6.692 33.042 0.00 0.00 SOLV ATOM 23547 H2 TIP3 5851 21.345 7.521 31.763 0.00 0.00 SOLV ATOM 23548 OH2 TIP3 5852 9.557 14.169 44.352 0.00 0.00 SOLV ATOM 23549 H1 TIP3 5852 10.168 13.814 43.639 0.00 0.00 SOLV ATOM 23550 H2 TIP3 5852 8.789 13.533 44.334 0.00 0.00 SOLV ATOM 23551 OH2 TIP3 5853 16.530 0.315 28.547 0.00 0.00 SOLV ATOM 23552 H1 TIP3 5853 15.920 -0.240 29.010 0.00 0.00 SOLV ATOM 23553 H2 TIP3 5853 16.444 1.164 28.990 0.00 0.00 SOLV ATOM 23554 OH2 TIP3 5854 21.854 -0.593 19.073 0.00 0.00 SOLV ATOM 23555 H1 TIP3 5854 22.631 -1.126 19.080 0.00 0.00 SOLV ATOM 23556 H2 TIP3 5854 21.192 -1.149 18.663 0.00 0.00 SOLV ATOM 23557 OH2 TIP3 5855 21.864 15.248 24.259 0.00 0.00 SOLV ATOM 23558 H1 TIP3 5855 21.234 15.354 25.023 0.00 0.00 SOLV ATOM 23559 H2 TIP3 5855 21.546 15.904 23.615 0.00 0.00 SOLV ATOM 23560 OH2 TIP3 5856 22.650 0.086 26.174 0.00 0.00 SOLV ATOM 23561 H1 TIP3 5856 23.093 0.905 26.044 0.00 0.00 SOLV ATOM 23562 H2 TIP3 5856 23.375 -0.492 25.865 0.00 0.00 SOLV ATOM 23563 OH2 TIP3 5857 19.272 -0.920 9.824 0.00 0.00 SOLV ATOM 23564 H1 TIP3 5857 19.830 -0.608 10.517 0.00 0.00 SOLV ATOM 23565 H2 TIP3 5857 18.847 -0.129 9.530 0.00 0.00 SOLV ATOM 23566 OH2 TIP3 5858 14.100 12.901 8.697 0.00 0.00 SOLV ATOM 23567 H1 TIP3 5858 14.796 12.274 8.378 0.00 0.00 SOLV ATOM 23568 H2 TIP3 5858 13.530 12.380 9.227 0.00 0.00 SOLV ATOM 23569 OH2 TIP3 5859 14.614 6.604 12.035 0.00 0.00 SOLV ATOM 23570 H1 TIP3 5859 14.212 6.899 12.864 0.00 0.00 SOLV ATOM 23571 H2 TIP3 5859 15.001 5.768 12.282 0.00 0.00 SOLV ATOM 23572 OH2 TIP3 5860 -27.543 -28.509 13.964 0.00 0.00 SOLV ATOM 23573 H1 TIP3 5860 -27.456 -29.287 14.378 0.00 0.00 SOLV ATOM 23574 H2 TIP3 5860 -27.801 -28.830 13.020 0.00 0.00 SOLV ATOM 23575 OH2 TIP3 5861 -29.432 2.554 13.553 0.00 0.00 SOLV ATOM 23576 H1 TIP3 5861 -29.315 2.433 14.463 0.00 0.00 SOLV ATOM 23577 H2 TIP3 5861 -30.334 2.894 13.467 0.00 0.00 SOLV ATOM 23578 OH2 TIP3 5862 20.118 -3.300 20.953 0.00 0.00 SOLV ATOM 23579 H1 TIP3 5862 20.170 -3.142 19.994 0.00 0.00 SOLV ATOM 23580 H2 TIP3 5862 19.463 -2.629 21.267 0.00 0.00 SOLV ATOM 23581 OH2 TIP3 5863 10.992 13.100 42.098 0.00 0.00 SOLV ATOM 23582 H1 TIP3 5863 11.771 13.450 41.720 0.00 0.00 SOLV ATOM 23583 H2 TIP3 5863 10.912 12.248 41.730 0.00 0.00 SOLV ATOM 23584 OH2 TIP3 5864 23.304 2.827 27.385 0.00 0.00 SOLV ATOM 23585 H1 TIP3 5864 23.444 2.576 26.408 0.00 0.00 SOLV ATOM 23586 H2 TIP3 5864 22.450 3.208 27.323 0.00 0.00 SOLV ATOM 23587 OH2 TIP3 5865 20.332 5.073 38.894 0.00 0.00 SOLV ATOM 23588 H1 TIP3 5865 21.256 4.845 38.625 0.00 0.00 SOLV ATOM 23589 H2 TIP3 5865 20.285 4.620 39.793 0.00 0.00 SOLV ATOM 23590 OH2 TIP3 5866 24.380 13.958 13.314 0.00 0.00 SOLV ATOM 23591 H1 TIP3 5866 24.159 14.917 13.523 0.00 0.00 SOLV ATOM 23592 H2 TIP3 5866 25.037 13.755 13.930 0.00 0.00 SOLV ATOM 23593 OH2 TIP3 5867 -9.334 7.611 30.884 0.00 0.00 SOLV ATOM 23594 H1 TIP3 5867 -8.924 8.387 30.546 0.00 0.00 SOLV ATOM 23595 H2 TIP3 5867 -9.964 7.923 31.467 0.00 0.00 SOLV ATOM 23596 OH2 TIP3 5868 22.859 5.781 27.247 0.00 0.00 SOLV ATOM 23597 H1 TIP3 5868 22.041 5.230 27.190 0.00 0.00 SOLV ATOM 23598 H2 TIP3 5868 23.540 5.176 27.587 0.00 0.00 SOLV ATOM 23599 OH2 TIP3 5869 -17.168 0.573 30.942 0.00 0.00 SOLV ATOM 23600 H1 TIP3 5869 -16.909 1.501 30.775 0.00 0.00 SOLV ATOM 23601 H2 TIP3 5869 -16.882 0.447 31.813 0.00 0.00 SOLV ATOM 23602 OH2 TIP3 5870 22.615 12.547 36.306 0.00 0.00 SOLV ATOM 23603 H1 TIP3 5870 22.073 11.878 36.808 0.00 0.00 SOLV ATOM 23604 H2 TIP3 5870 23.199 12.007 35.774 0.00 0.00 SOLV ATOM 23605 OH2 TIP3 5871 20.811 0.024 15.213 0.00 0.00 SOLV ATOM 23606 H1 TIP3 5871 20.047 -0.598 15.241 0.00 0.00 SOLV ATOM 23607 H2 TIP3 5871 21.521 -0.544 15.337 0.00 0.00 SOLV ATOM 23608 OH2 TIP3 5872 20.881 14.556 35.168 0.00 0.00 SOLV ATOM 23609 H1 TIP3 5872 21.633 13.942 35.519 0.00 0.00 SOLV ATOM 23610 H2 TIP3 5872 20.141 13.990 34.931 0.00 0.00 SOLV ATOM 23611 OH2 TIP3 5873 17.977 2.637 22.094 0.00 0.00 SOLV ATOM 23612 H1 TIP3 5873 18.089 1.642 22.007 0.00 0.00 SOLV ATOM 23613 H2 TIP3 5873 16.978 2.600 22.186 0.00 0.00 SOLV ATOM 23614 OH2 TIP3 5874 10.406 13.018 35.994 0.00 0.00 SOLV ATOM 23615 H1 TIP3 5874 10.938 13.318 35.293 0.00 0.00 SOLV ATOM 23616 H2 TIP3 5874 10.938 12.271 36.224 0.00 0.00 SOLV ATOM 23617 OH2 TIP3 5875 12.500 4.766 9.465 0.00 0.00 SOLV ATOM 23618 H1 TIP3 5875 12.552 3.765 9.524 0.00 0.00 SOLV ATOM 23619 H2 TIP3 5875 13.300 5.031 8.925 0.00 0.00 SOLV ATOM 23620 OH2 TIP3 5876 0.890 8.451 48.352 0.00 0.00 SOLV ATOM 23621 H1 TIP3 5876 0.899 8.039 47.443 0.00 0.00 SOLV ATOM 23622 H2 TIP3 5876 0.483 7.716 48.797 0.00 0.00 SOLV ATOM 23623 OH2 TIP3 5877 4.114 12.655 48.070 0.00 0.00 SOLV ATOM 23624 H1 TIP3 5877 4.471 11.744 47.931 0.00 0.00 SOLV ATOM 23625 H2 TIP3 5877 3.412 12.616 48.811 0.00 0.00 SOLV ATOM 23626 OH2 TIP3 5878 12.424 -18.054 28.963 0.00 0.00 SOLV ATOM 23627 H1 TIP3 5878 11.765 -18.688 28.770 0.00 0.00 SOLV ATOM 23628 H2 TIP3 5878 12.438 -18.131 29.919 0.00 0.00 SOLV ATOM 23629 OH2 TIP3 5879 13.465 14.386 -9.899 0.00 0.00 SOLV ATOM 23630 H1 TIP3 5879 13.437 14.618 -8.956 0.00 0.00 SOLV ATOM 23631 H2 TIP3 5879 14.351 14.021 -9.886 0.00 0.00 SOLV ATOM 23632 OH2 TIP3 5880 9.305 6.751 39.220 0.00 0.00 SOLV ATOM 23633 H1 TIP3 5880 9.794 7.160 38.564 0.00 0.00 SOLV ATOM 23634 H2 TIP3 5880 8.599 6.301 38.733 0.00 0.00 SOLV ATOM 23635 OH2 TIP3 5881 21.533 10.855 32.820 0.00 0.00 SOLV ATOM 23636 H1 TIP3 5881 22.128 10.057 32.934 0.00 0.00 SOLV ATOM 23637 H2 TIP3 5881 22.087 11.617 32.541 0.00 0.00 SOLV ATOM 23638 OH2 TIP3 5882 12.018 -37.511 24.636 0.00 0.00 SOLV ATOM 23639 H1 TIP3 5882 11.694 -38.096 25.364 0.00 0.00 SOLV ATOM 23640 H2 TIP3 5882 12.448 -38.116 23.973 0.00 0.00 SOLV ATOM 23641 OH2 TIP3 5883 21.715 7.491 29.798 0.00 0.00 SOLV ATOM 23642 H1 TIP3 5883 21.962 7.727 28.879 0.00 0.00 SOLV ATOM 23643 H2 TIP3 5883 21.718 6.565 29.878 0.00 0.00 SOLV ATOM 23644 OH2 TIP3 5884 14.827 -31.330 39.159 0.00 0.00 SOLV ATOM 23645 H1 TIP3 5884 14.119 -31.640 39.698 0.00 0.00 SOLV ATOM 23646 H2 TIP3 5884 14.498 -30.465 38.754 0.00 0.00 SOLV ATOM 23647 OH2 TIP3 5885 9.066 7.387 46.162 0.00 0.00 SOLV ATOM 23648 H1 TIP3 5885 9.292 7.206 45.209 0.00 0.00 SOLV ATOM 23649 H2 TIP3 5885 9.891 7.032 46.568 0.00 0.00 SOLV ATOM 23650 OH2 TIP3 5886 -29.485 -26.658 12.247 0.00 0.00 SOLV ATOM 23651 H1 TIP3 5886 -30.125 -27.089 11.605 0.00 0.00 SOLV ATOM 23652 H2 TIP3 5886 -29.795 -27.081 13.114 0.00 0.00 SOLV ATOM 23653 OH2 TIP3 5887 9.578 -33.770 12.463 0.00 0.00 SOLV ATOM 23654 H1 TIP3 5887 9.505 -33.253 13.248 0.00 0.00 SOLV ATOM 23655 H2 TIP3 5887 9.635 -33.142 11.740 0.00 0.00 SOLV ATOM 23656 OH2 TIP3 5888 23.233 15.872 19.234 0.00 0.00 SOLV ATOM 23657 H1 TIP3 5888 23.627 16.345 20.035 0.00 0.00 SOLV ATOM 23658 H2 TIP3 5888 24.000 15.681 18.806 0.00 0.00 SOLV ATOM 23659 OH2 TIP3 5889 11.809 4.987 29.518 0.00 0.00 SOLV ATOM 23660 H1 TIP3 5889 11.862 4.323 28.733 0.00 0.00 SOLV ATOM 23661 H2 TIP3 5889 11.013 5.495 29.268 0.00 0.00 SOLV ATOM 23662 OH2 TIP3 5890 10.065 -32.331 9.160 0.00 0.00 SOLV ATOM 23663 H1 TIP3 5890 9.306 -32.323 9.821 0.00 0.00 SOLV ATOM 23664 H2 TIP3 5890 9.668 -32.862 8.457 0.00 0.00 SOLV ATOM 23665 OH2 TIP3 5891 4.637 -29.418 22.365 0.00 0.00 SOLV ATOM 23666 H1 TIP3 5891 4.667 -29.127 23.310 0.00 0.00 SOLV ATOM 23667 H2 TIP3 5891 5.508 -29.160 22.014 0.00 0.00 SOLV ATOM 23668 OH2 TIP3 5892 19.696 -19.291 40.872 0.00 0.00 SOLV ATOM 23669 H1 TIP3 5892 19.227 -19.882 40.227 0.00 0.00 SOLV ATOM 23670 H2 TIP3 5892 19.050 -19.302 41.618 0.00 0.00 SOLV ATOM 23671 OH2 TIP3 5893 8.552 1.320 34.036 0.00 0.00 SOLV ATOM 23672 H1 TIP3 5893 8.356 1.131 34.956 0.00 0.00 SOLV ATOM 23673 H2 TIP3 5893 9.520 1.461 33.985 0.00 0.00 SOLV ATOM 23674 OH2 TIP3 5894 -2.745 0.580 36.307 0.00 0.00 SOLV ATOM 23675 H1 TIP3 5894 -2.879 -0.326 36.534 0.00 0.00 SOLV ATOM 23676 H2 TIP3 5894 -1.882 0.718 35.773 0.00 0.00 SOLV ATOM 23677 OH2 TIP3 5895 -31.089 11.944 8.683 0.00 0.00 SOLV ATOM 23678 H1 TIP3 5895 -31.064 12.929 8.639 0.00 0.00 SOLV ATOM 23679 H2 TIP3 5895 -30.452 11.698 9.386 0.00 0.00 SOLV ATOM 23680 OH2 TIP3 5896 14.410 17.185 13.962 0.00 0.00 SOLV ATOM 23681 H1 TIP3 5896 14.699 18.093 14.207 0.00 0.00 SOLV ATOM 23682 H2 TIP3 5896 14.630 16.639 14.693 0.00 0.00 SOLV ATOM 23683 OH2 TIP3 5897 12.414 -33.019 40.706 0.00 0.00 SOLV ATOM 23684 H1 TIP3 5897 13.172 -33.604 40.873 0.00 0.00 SOLV ATOM 23685 H2 TIP3 5897 12.316 -32.513 41.540 0.00 0.00 SOLV ATOM 23686 OH2 TIP3 5898 -28.003 -30.424 22.627 0.00 0.00 SOLV ATOM 23687 H1 TIP3 5898 -28.383 -29.807 21.913 0.00 0.00 SOLV ATOM 23688 H2 TIP3 5898 -27.418 -29.837 23.156 0.00 0.00 SOLV ATOM 23689 OH2 TIP3 5899 13.499 -24.721 32.673 0.00 0.00 SOLV ATOM 23690 H1 TIP3 5899 14.111 -24.338 33.332 0.00 0.00 SOLV ATOM 23691 H2 TIP3 5899 13.781 -24.159 31.931 0.00 0.00 SOLV ATOM 23692 OH2 TIP3 5900 15.469 -25.209 35.736 0.00 0.00 SOLV ATOM 23693 H1 TIP3 5900 14.828 -24.590 36.138 0.00 0.00 SOLV ATOM 23694 H2 TIP3 5900 15.865 -24.606 35.168 0.00 0.00 SOLV ATOM 23695 OH2 TIP3 5901 -0.919 11.589 19.779 0.00 0.00 SOLV ATOM 23696 H1 TIP3 5901 -0.051 11.580 19.338 0.00 0.00 SOLV ATOM 23697 H2 TIP3 5901 -0.774 11.026 20.579 0.00 0.00 SOLV ATOM 23698 OH2 TIP3 5902 16.643 -12.530 37.850 0.00 0.00 SOLV ATOM 23699 H1 TIP3 5902 16.391 -12.314 38.750 0.00 0.00 SOLV ATOM 23700 H2 TIP3 5902 16.833 -11.622 37.514 0.00 0.00 SOLV ATOM 23701 OH2 TIP3 5903 -3.077 -30.358 34.863 0.00 0.00 SOLV ATOM 23702 H1 TIP3 5903 -2.323 -30.010 35.384 0.00 0.00 SOLV ATOM 23703 H2 TIP3 5903 -3.713 -30.635 35.593 0.00 0.00 SOLV ATOM 23704 OH2 TIP3 5904 19.987 -12.694 9.817 0.00 0.00 SOLV ATOM 23705 H1 TIP3 5904 19.661 -11.951 9.323 0.00 0.00 SOLV ATOM 23706 H2 TIP3 5904 19.154 -13.046 10.206 0.00 0.00 SOLV ATOM 23707 OH2 TIP3 5905 17.104 -23.574 7.726 0.00 0.00 SOLV ATOM 23708 H1 TIP3 5905 16.226 -23.919 7.906 0.00 0.00 SOLV ATOM 23709 H2 TIP3 5905 17.640 -24.396 7.911 0.00 0.00 SOLV ATOM 23710 OH2 TIP3 5906 -19.280 -9.400 36.929 0.00 0.00 SOLV ATOM 23711 H1 TIP3 5906 -19.414 -10.329 36.819 0.00 0.00 SOLV ATOM 23712 H2 TIP3 5906 -18.345 -9.262 37.134 0.00 0.00 SOLV ATOM 23713 OH2 TIP3 5907 21.469 -24.838 22.463 0.00 0.00 SOLV ATOM 23714 H1 TIP3 5907 22.031 -25.336 21.833 0.00 0.00 SOLV ATOM 23715 H2 TIP3 5907 21.465 -25.476 23.223 0.00 0.00 SOLV ATOM 23716 OH2 TIP3 5908 7.510 -24.634 12.908 0.00 0.00 SOLV ATOM 23717 H1 TIP3 5908 6.828 -25.298 12.836 0.00 0.00 SOLV ATOM 23718 H2 TIP3 5908 8.274 -25.250 13.186 0.00 0.00 SOLV ATOM 23719 OH2 TIP3 5909 11.953 -24.159 45.049 0.00 0.00 SOLV ATOM 23720 H1 TIP3 5909 11.806 -24.903 45.595 0.00 0.00 SOLV ATOM 23721 H2 TIP3 5909 11.441 -24.341 44.254 0.00 0.00 SOLV ATOM 23722 OH2 TIP3 5910 8.266 -12.266 34.541 0.00 0.00 SOLV ATOM 23723 H1 TIP3 5910 7.613 -12.012 35.150 0.00 0.00 SOLV ATOM 23724 H2 TIP3 5910 7.668 -12.646 33.833 0.00 0.00 SOLV ATOM 23725 OH2 TIP3 5911 20.341 -13.556 16.751 0.00 0.00 SOLV ATOM 23726 H1 TIP3 5911 19.559 -14.006 16.351 0.00 0.00 SOLV ATOM 23727 H2 TIP3 5911 20.190 -13.718 17.653 0.00 0.00 SOLV ATOM 23728 OH2 TIP3 5912 22.688 -19.303 22.739 0.00 0.00 SOLV ATOM 23729 H1 TIP3 5912 23.208 -20.099 22.476 0.00 0.00 SOLV ATOM 23730 H2 TIP3 5912 23.064 -18.579 22.250 0.00 0.00 SOLV ATOM 23731 OH2 TIP3 5913 15.691 -27.130 29.348 0.00 0.00 SOLV ATOM 23732 H1 TIP3 5913 15.505 -28.062 29.344 0.00 0.00 SOLV ATOM 23733 H2 TIP3 5913 15.049 -26.750 29.962 0.00 0.00 SOLV ATOM 23734 OH2 TIP3 5914 -29.866 -15.535 35.068 0.00 0.00 SOLV ATOM 23735 H1 TIP3 5914 -30.663 -15.111 35.465 0.00 0.00 SOLV ATOM 23736 H2 TIP3 5914 -30.280 -16.268 34.583 0.00 0.00 SOLV ATOM 23737 OH2 TIP3 5915 22.110 -21.174 25.429 0.00 0.00 SOLV ATOM 23738 H1 TIP3 5915 22.720 -20.572 25.894 0.00 0.00 SOLV ATOM 23739 H2 TIP3 5915 22.669 -21.760 24.965 0.00 0.00 SOLV ATOM 23740 OH2 TIP3 5916 15.460 -29.651 42.953 0.00 0.00 SOLV ATOM 23741 H1 TIP3 5916 15.959 -29.012 42.467 0.00 0.00 SOLV ATOM 23742 H2 TIP3 5916 14.781 -29.229 43.546 0.00 0.00 SOLV ATOM 23743 OH2 TIP3 5917 6.934 -3.082 3.710 0.00 0.00 SOLV ATOM 23744 H1 TIP3 5917 6.971 -2.818 4.615 0.00 0.00 SOLV ATOM 23745 H2 TIP3 5917 7.083 -4.035 3.760 0.00 0.00 SOLV ATOM 23746 OH2 TIP3 5918 19.784 -10.787 38.687 0.00 0.00 SOLV ATOM 23747 H1 TIP3 5918 19.174 -10.439 38.001 0.00 0.00 SOLV ATOM 23748 H2 TIP3 5918 19.532 -11.720 38.806 0.00 0.00 SOLV ATOM 23749 OH2 TIP3 5919 -25.087 -24.658 42.605 0.00 0.00 SOLV ATOM 23750 H1 TIP3 5919 -24.693 -25.486 42.491 0.00 0.00 SOLV ATOM 23751 H2 TIP3 5919 -26.007 -24.799 42.743 0.00 0.00 SOLV ATOM 23752 OH2 TIP3 5920 19.997 -18.657 26.045 0.00 0.00 SOLV ATOM 23753 H1 TIP3 5920 20.978 -18.804 26.052 0.00 0.00 SOLV ATOM 23754 H2 TIP3 5920 19.845 -18.424 25.110 0.00 0.00 SOLV ATOM 23755 OH2 TIP3 5921 -19.997 -2.833 22.202 0.00 0.00 SOLV ATOM 23756 H1 TIP3 5921 -20.206 -2.334 22.991 0.00 0.00 SOLV ATOM 23757 H2 TIP3 5921 -20.796 -3.415 22.158 0.00 0.00 SOLV ATOM 23758 OH2 TIP3 5922 18.923 -11.045 22.331 0.00 0.00 SOLV ATOM 23759 H1 TIP3 5922 19.167 -10.381 22.962 0.00 0.00 SOLV ATOM 23760 H2 TIP3 5922 18.821 -10.483 21.511 0.00 0.00 SOLV ATOM 23761 OH2 TIP3 5923 10.711 -30.262 17.334 0.00 0.00 SOLV ATOM 23762 H1 TIP3 5923 10.543 -29.295 17.412 0.00 0.00 SOLV ATOM 23763 H2 TIP3 5923 11.117 -30.491 18.177 0.00 0.00 SOLV ATOM 23764 OH2 TIP3 5924 23.292 -21.708 34.415 0.00 0.00 SOLV ATOM 23765 H1 TIP3 5924 24.118 -21.870 33.924 0.00 0.00 SOLV ATOM 23766 H2 TIP3 5924 22.876 -21.078 33.834 0.00 0.00 SOLV ATOM 23767 OH2 TIP3 5925 6.315 -29.486 44.748 0.00 0.00 SOLV ATOM 23768 H1 TIP3 5925 7.119 -29.871 44.361 0.00 0.00 SOLV ATOM 23769 H2 TIP3 5925 5.888 -29.100 43.949 0.00 0.00 SOLV ATOM 23770 OH2 TIP3 5926 14.842 -23.683 30.407 0.00 0.00 SOLV ATOM 23771 H1 TIP3 5926 15.456 -24.296 30.034 0.00 0.00 SOLV ATOM 23772 H2 TIP3 5926 14.995 -22.783 30.038 0.00 0.00 SOLV ATOM 23773 OH2 TIP3 5927 -25.246 -15.355 18.565 0.00 0.00 SOLV ATOM 23774 H1 TIP3 5927 -25.524 -15.704 17.724 0.00 0.00 SOLV ATOM 23775 H2 TIP3 5927 -24.283 -15.444 18.458 0.00 0.00 SOLV ATOM 23776 OH2 TIP3 5928 24.300 -16.595 22.496 0.00 0.00 SOLV ATOM 23777 H1 TIP3 5928 23.721 -15.846 22.580 0.00 0.00 SOLV ATOM 23778 H2 TIP3 5928 24.311 -16.909 23.427 0.00 0.00 SOLV ATOM 23779 OH2 TIP3 5929 -31.653 -13.831 36.808 0.00 0.00 SOLV ATOM 23780 H1 TIP3 5929 -31.651 -14.490 37.500 0.00 0.00 SOLV ATOM 23781 H2 TIP3 5929 -31.866 -12.987 37.301 0.00 0.00 SOLV ATOM 23782 OH2 TIP3 5930 21.020 -15.017 33.362 0.00 0.00 SOLV ATOM 23783 H1 TIP3 5930 20.269 -15.599 33.392 0.00 0.00 SOLV ATOM 23784 H2 TIP3 5930 21.445 -15.429 32.561 0.00 0.00 SOLV ATOM 23785 OH2 TIP3 5931 -14.297 -22.014 12.317 0.00 0.00 SOLV ATOM 23786 H1 TIP3 5931 -13.654 -21.280 12.089 0.00 0.00 SOLV ATOM 23787 H2 TIP3 5931 -14.921 -21.937 11.605 0.00 0.00 SOLV ATOM 23788 OH2 TIP3 5932 12.837 -20.846 22.574 0.00 0.00 SOLV ATOM 23789 H1 TIP3 5932 12.528 -20.478 23.302 0.00 0.00 SOLV ATOM 23790 H2 TIP3 5932 13.810 -20.869 22.654 0.00 0.00 SOLV ATOM 23791 OH2 TIP3 5933 8.047 -28.428 32.327 0.00 0.00 SOLV ATOM 23792 H1 TIP3 5933 7.707 -27.488 32.350 0.00 0.00 SOLV ATOM 23793 H2 TIP3 5933 7.519 -28.879 33.015 0.00 0.00 SOLV ATOM 23794 OH2 TIP3 5934 8.754 -19.842 43.595 0.00 0.00 SOLV ATOM 23795 H1 TIP3 5934 9.042 -20.628 43.959 0.00 0.00 SOLV ATOM 23796 H2 TIP3 5934 9.241 -19.874 42.768 0.00 0.00 SOLV ATOM 23797 OH2 TIP3 5935 -25.128 -3.392 36.394 0.00 0.00 SOLV ATOM 23798 H1 TIP3 5935 -25.844 -3.954 36.246 0.00 0.00 SOLV ATOM 23799 H2 TIP3 5935 -25.212 -3.176 37.315 0.00 0.00 SOLV ATOM 23800 OH2 TIP3 5936 7.578 -12.154 49.900 0.00 0.00 SOLV ATOM 23801 H1 TIP3 5936 7.797 -12.922 50.428 0.00 0.00 SOLV ATOM 23802 H2 TIP3 5936 6.605 -12.221 49.858 0.00 0.00 SOLV ATOM 23803 OH2 TIP3 5937 16.845 -2.518 14.014 0.00 0.00 SOLV ATOM 23804 H1 TIP3 5937 17.482 -3.211 14.331 0.00 0.00 SOLV ATOM 23805 H2 TIP3 5937 16.976 -2.569 12.989 0.00 0.00 SOLV ATOM 23806 OH2 TIP3 5938 22.333 -2.933 14.126 0.00 0.00 SOLV ATOM 23807 H1 TIP3 5938 21.689 -2.860 14.781 0.00 0.00 SOLV ATOM 23808 H2 TIP3 5938 21.897 -2.575 13.391 0.00 0.00 SOLV ATOM 23809 OH2 TIP3 5939 -33.244 -18.873 21.272 0.00 0.00 SOLV ATOM 23810 H1 TIP3 5939 -32.679 -18.219 20.709 0.00 0.00 SOLV ATOM 23811 H2 TIP3 5939 -34.136 -18.595 20.983 0.00 0.00 SOLV ATOM 23812 OH2 TIP3 5940 -31.546 -11.437 32.511 0.00 0.00 SOLV ATOM 23813 H1 TIP3 5940 -31.652 -12.402 32.408 0.00 0.00 SOLV ATOM 23814 H2 TIP3 5940 -31.017 -11.393 33.350 0.00 0.00 SOLV ATOM 23815 OH2 TIP3 5941 -28.410 -28.383 35.951 0.00 0.00 SOLV ATOM 23816 H1 TIP3 5941 -28.622 -28.506 36.931 0.00 0.00 SOLV ATOM 23817 H2 TIP3 5941 -29.213 -28.727 35.517 0.00 0.00 SOLV ATOM 23818 OH2 TIP3 5942 -35.501 -8.377 24.715 0.00 0.00 SOLV ATOM 23819 H1 TIP3 5942 -35.337 -7.383 24.420 0.00 0.00 SOLV ATOM 23820 H2 TIP3 5942 -34.662 -8.542 25.115 0.00 0.00 SOLV ATOM 23821 OH2 TIP3 5943 19.905 -27.849 28.815 0.00 0.00 SOLV ATOM 23822 H1 TIP3 5943 19.362 -27.279 28.197 0.00 0.00 SOLV ATOM 23823 H2 TIP3 5943 19.354 -27.780 29.600 0.00 0.00 SOLV ATOM 23824 OH2 TIP3 5944 19.890 -22.217 34.027 0.00 0.00 SOLV ATOM 23825 H1 TIP3 5944 19.970 -21.445 34.597 0.00 0.00 SOLV ATOM 23826 H2 TIP3 5944 20.657 -22.031 33.459 0.00 0.00 SOLV ATOM 23827 OH2 TIP3 5945 21.522 -14.176 38.830 0.00 0.00 SOLV ATOM 23828 H1 TIP3 5945 21.624 -14.174 37.878 0.00 0.00 SOLV ATOM 23829 H2 TIP3 5945 20.596 -14.104 38.898 0.00 0.00 SOLV ATOM 23830 OH2 TIP3 5946 13.942 -19.290 7.903 0.00 0.00 SOLV ATOM 23831 H1 TIP3 5946 14.808 -19.744 7.675 0.00 0.00 SOLV ATOM 23832 H2 TIP3 5946 14.124 -18.403 7.573 0.00 0.00 SOLV ATOM 23833 OH2 TIP3 5947 -13.340 -10.948 40.951 0.00 0.00 SOLV ATOM 23834 H1 TIP3 5947 -13.555 -10.102 41.469 0.00 0.00 SOLV ATOM 23835 H2 TIP3 5947 -13.561 -11.637 41.607 0.00 0.00 SOLV ATOM 23836 OH2 TIP3 5948 12.894 -3.307 34.128 0.00 0.00 SOLV ATOM 23837 H1 TIP3 5948 12.929 -3.341 33.182 0.00 0.00 SOLV ATOM 23838 H2 TIP3 5948 11.937 -3.541 34.300 0.00 0.00 SOLV ATOM 23839 OH2 TIP3 5949 19.546 -9.889 25.038 0.00 0.00 SOLV ATOM 23840 H1 TIP3 5949 19.245 -9.841 25.954 0.00 0.00 SOLV ATOM 23841 H2 TIP3 5949 20.486 -10.192 25.079 0.00 0.00 SOLV ATOM 23842 OH2 TIP3 5950 -34.961 -4.790 13.909 0.00 0.00 SOLV ATOM 23843 H1 TIP3 5950 -34.299 -4.850 13.157 0.00 0.00 SOLV ATOM 23844 H2 TIP3 5950 -34.984 -5.720 14.253 0.00 0.00 SOLV ATOM 23845 OH2 TIP3 5951 -26.799 6.547 29.010 0.00 0.00 SOLV ATOM 23846 H1 TIP3 5951 -27.049 5.937 29.722 0.00 0.00 SOLV ATOM 23847 H2 TIP3 5951 -26.840 5.969 28.240 0.00 0.00 SOLV ATOM 23848 OH2 TIP3 5952 21.277 -14.170 36.001 0.00 0.00 SOLV ATOM 23849 H1 TIP3 5952 20.935 -14.688 35.207 0.00 0.00 SOLV ATOM 23850 H2 TIP3 5952 22.119 -13.768 35.658 0.00 0.00 SOLV ATOM 23851 OH2 TIP3 5953 12.415 -5.423 27.387 0.00 0.00 SOLV ATOM 23852 H1 TIP3 5953 11.693 -6.007 27.161 0.00 0.00 SOLV ATOM 23853 H2 TIP3 5953 12.138 -5.056 28.216 0.00 0.00 SOLV ATOM 23854 OH2 TIP3 5954 -31.008 -13.171 10.717 0.00 0.00 SOLV ATOM 23855 H1 TIP3 5954 -31.013 -12.907 9.758 0.00 0.00 SOLV ATOM 23856 H2 TIP3 5954 -30.070 -13.002 10.899 0.00 0.00 SOLV ATOM 23857 OH2 TIP3 5955 23.117 -21.323 20.510 0.00 0.00 SOLV ATOM 23858 H1 TIP3 5955 23.704 -21.998 20.156 0.00 0.00 SOLV ATOM 23859 H2 TIP3 5955 22.319 -21.612 20.093 0.00 0.00 SOLV ATOM 23860 OH2 TIP3 5956 19.713 -9.889 19.488 0.00 0.00 SOLV ATOM 23861 H1 TIP3 5956 20.143 -9.092 19.164 0.00 0.00 SOLV ATOM 23862 H2 TIP3 5956 20.449 -10.543 19.451 0.00 0.00 SOLV ATOM 23863 OH2 TIP3 5957 13.877 -6.240 14.135 0.00 0.00 SOLV ATOM 23864 H1 TIP3 5957 13.869 -6.127 13.184 0.00 0.00 SOLV ATOM 23865 H2 TIP3 5957 12.903 -6.142 14.420 0.00 0.00 SOLV ATOM 23866 OH2 TIP3 5958 22.530 -8.291 27.790 0.00 0.00 SOLV ATOM 23867 H1 TIP3 5958 23.400 -8.360 28.249 0.00 0.00 SOLV ATOM 23868 H2 TIP3 5958 21.801 -8.508 28.394 0.00 0.00 SOLV ATOM 23869 OH2 TIP3 5959 20.621 -8.677 39.996 0.00 0.00 SOLV ATOM 23870 H1 TIP3 5959 20.519 -9.508 39.487 0.00 0.00 SOLV ATOM 23871 H2 TIP3 5959 19.916 -8.672 40.685 0.00 0.00 SOLV ATOM 23872 OH2 TIP3 5960 11.126 6.135 41.290 0.00 0.00 SOLV ATOM 23873 H1 TIP3 5960 10.420 6.431 40.740 0.00 0.00 SOLV ATOM 23874 H2 TIP3 5960 11.735 5.695 40.688 0.00 0.00 SOLV ATOM 23875 OH2 TIP3 5961 10.008 -20.714 18.686 0.00 0.00 SOLV ATOM 23876 H1 TIP3 5961 10.242 -20.162 19.467 0.00 0.00 SOLV ATOM 23877 H2 TIP3 5961 10.860 -21.014 18.410 0.00 0.00 SOLV ATOM 23878 OH2 TIP3 5962 23.427 -18.752 19.617 0.00 0.00 SOLV ATOM 23879 H1 TIP3 5962 24.260 -18.231 19.615 0.00 0.00 SOLV ATOM 23880 H2 TIP3 5962 23.690 -19.628 19.851 0.00 0.00 SOLV ATOM 23881 OH2 TIP3 5963 23.429 3.022 19.064 0.00 0.00 SOLV ATOM 23882 H1 TIP3 5963 23.969 3.332 18.290 0.00 0.00 SOLV ATOM 23883 H2 TIP3 5963 22.989 2.163 18.754 0.00 0.00 SOLV ATOM 23884 OH2 TIP3 5964 19.123 -5.211 34.976 0.00 0.00 SOLV ATOM 23885 H1 TIP3 5964 19.489 -4.810 35.770 0.00 0.00 SOLV ATOM 23886 H2 TIP3 5964 18.171 -5.154 35.027 0.00 0.00 SOLV ATOM 23887 OH2 TIP3 5965 21.669 -5.306 15.977 0.00 0.00 SOLV ATOM 23888 H1 TIP3 5965 20.995 -5.869 16.388 0.00 0.00 SOLV ATOM 23889 H2 TIP3 5965 22.260 -5.168 16.722 0.00 0.00 SOLV ATOM 23890 OH2 TIP3 5966 14.968 -8.190 29.587 0.00 0.00 SOLV ATOM 23891 H1 TIP3 5966 14.641 -7.280 29.470 0.00 0.00 SOLV ATOM 23892 H2 TIP3 5966 15.898 -8.033 29.791 0.00 0.00 SOLV ATOM 23893 OH2 TIP3 5967 -26.246 -10.618 35.972 0.00 0.00 SOLV ATOM 23894 H1 TIP3 5967 -26.561 -9.889 35.403 0.00 0.00 SOLV ATOM 23895 H2 TIP3 5967 -26.914 -10.552 36.681 0.00 0.00 SOLV ATOM 23896 OH2 TIP3 5968 -32.797 -1.439 18.871 0.00 0.00 SOLV ATOM 23897 H1 TIP3 5968 -32.912 -1.563 19.795 0.00 0.00 SOLV ATOM 23898 H2 TIP3 5968 -31.999 -0.877 18.809 0.00 0.00 SOLV ATOM 23899 OH2 TIP3 5969 22.322 -13.922 19.441 0.00 0.00 SOLV ATOM 23900 H1 TIP3 5969 21.821 -14.445 20.005 0.00 0.00 SOLV ATOM 23901 H2 TIP3 5969 23.230 -14.018 19.745 0.00 0.00 SOLV ATOM 23902 OH2 TIP3 5970 17.287 -10.349 17.120 0.00 0.00 SOLV ATOM 23903 H1 TIP3 5970 16.445 -10.610 16.773 0.00 0.00 SOLV ATOM 23904 H2 TIP3 5970 17.506 -10.980 17.883 0.00 0.00 SOLV ATOM 23905 OH2 TIP3 5971 16.705 -5.000 25.574 0.00 0.00 SOLV ATOM 23906 H1 TIP3 5971 17.441 -5.255 25.043 0.00 0.00 SOLV ATOM 23907 H2 TIP3 5971 15.954 -4.942 24.954 0.00 0.00 SOLV ATOM 23908 OH2 TIP3 5972 -9.247 -10.890 39.987 0.00 0.00 SOLV ATOM 23909 H1 TIP3 5972 -8.431 -10.603 39.574 0.00 0.00 SOLV ATOM 23910 H2 TIP3 5972 -9.253 -11.903 39.896 0.00 0.00 SOLV ATOM 23911 OH2 TIP3 5973 11.093 -1.733 40.118 0.00 0.00 SOLV ATOM 23912 H1 TIP3 5973 10.691 -1.459 39.284 0.00 0.00 SOLV ATOM 23913 H2 TIP3 5973 11.996 -1.893 39.821 0.00 0.00 SOLV ATOM 23914 OH2 TIP3 5974 17.832 3.076 35.476 0.00 0.00 SOLV ATOM 23915 H1 TIP3 5974 17.814 2.706 34.547 0.00 0.00 SOLV ATOM 23916 H2 TIP3 5974 18.796 3.018 35.686 0.00 0.00 SOLV ATOM 23917 OH2 TIP3 5975 -35.746 3.057 13.452 0.00 0.00 SOLV ATOM 23918 H1 TIP3 5975 -36.487 2.681 13.945 0.00 0.00 SOLV ATOM 23919 H2 TIP3 5975 -35.931 4.013 13.353 0.00 0.00 SOLV ATOM 23920 OH2 TIP3 5976 -38.544 8.293 19.658 0.00 0.00 SOLV ATOM 23921 H1 TIP3 5976 -38.614 8.954 18.936 0.00 0.00 SOLV ATOM 23922 H2 TIP3 5976 -38.140 7.470 19.311 0.00 0.00 SOLV ATOM 23923 OH2 TIP3 5977 22.721 -6.919 14.148 0.00 0.00 SOLV ATOM 23924 H1 TIP3 5977 23.411 -6.454 13.606 0.00 0.00 SOLV ATOM 23925 H2 TIP3 5977 22.391 -6.213 14.809 0.00 0.00 SOLV ATOM 23926 OH2 TIP3 5978 19.408 -1.509 23.537 0.00 0.00 SOLV ATOM 23927 H1 TIP3 5978 19.993 -2.086 24.023 0.00 0.00 SOLV ATOM 23928 H2 TIP3 5978 18.693 -1.306 24.116 0.00 0.00 SOLV ATOM 23929 OH2 TIP3 5979 -34.835 -1.979 12.717 0.00 0.00 SOLV ATOM 23930 H1 TIP3 5979 -34.623 -2.306 13.553 0.00 0.00 SOLV ATOM 23931 H2 TIP3 5979 -34.655 -2.768 12.212 0.00 0.00 SOLV ATOM 23932 OH2 TIP3 5980 24.049 2.439 24.870 0.00 0.00 SOLV ATOM 23933 H1 TIP3 5980 23.532 2.364 24.069 0.00 0.00 SOLV ATOM 23934 H2 TIP3 5980 24.923 2.498 24.455 0.00 0.00 SOLV ATOM 23935 OH2 TIP3 5981 18.921 7.650 36.391 0.00 0.00 SOLV ATOM 23936 H1 TIP3 5981 19.793 7.455 35.916 0.00 0.00 SOLV ATOM 23937 H2 TIP3 5981 18.792 6.981 37.059 0.00 0.00 SOLV ATOM 23938 OH2 TIP3 5982 11.818 9.751 40.738 0.00 0.00 SOLV ATOM 23939 H1 TIP3 5982 12.363 10.590 40.573 0.00 0.00 SOLV ATOM 23940 H2 TIP3 5982 12.509 9.092 40.620 0.00 0.00 SOLV ATOM 23941 OH2 TIP3 5983 -33.678 13.732 13.839 0.00 0.00 SOLV ATOM 23942 H1 TIP3 5983 -33.134 14.051 13.134 0.00 0.00 SOLV ATOM 23943 H2 TIP3 5983 -34.532 14.080 13.597 0.00 0.00 SOLV ATOM 23944 OH2 TIP3 5984 -31.306 -0.826 14.752 0.00 0.00 SOLV ATOM 23945 H1 TIP3 5984 -30.436 -1.124 14.434 0.00 0.00 SOLV ATOM 23946 H2 TIP3 5984 -31.528 -1.485 15.530 0.00 0.00 SOLV ATOM 23947 OH2 TIP3 5985 -30.771 8.216 10.926 0.00 0.00 SOLV ATOM 23948 H1 TIP3 5985 -31.363 7.504 11.236 0.00 0.00 SOLV ATOM 23949 H2 TIP3 5985 -31.198 8.611 10.176 0.00 0.00 SOLV ATOM 23950 OH2 TIP3 5986 -30.295 4.954 28.031 0.00 0.00 SOLV ATOM 23951 H1 TIP3 5986 -31.033 5.517 28.376 0.00 0.00 SOLV ATOM 23952 H2 TIP3 5986 -30.524 4.971 27.088 0.00 0.00 SOLV ATOM 23953 OH2 TIP3 5987 18.355 -8.988 41.522 0.00 0.00 SOLV ATOM 23954 H1 TIP3 5987 17.945 -8.882 42.400 0.00 0.00 SOLV ATOM 23955 H2 TIP3 5987 17.635 -9.040 40.917 0.00 0.00 SOLV ATOM 23956 OH2 TIP3 5988 -36.739 1.245 11.148 0.00 0.00 SOLV ATOM 23957 H1 TIP3 5988 -36.547 2.116 11.497 0.00 0.00 SOLV ATOM 23958 H2 TIP3 5988 -36.475 0.612 11.767 0.00 0.00 SOLV ATOM 23959 OH2 TIP3 5989 10.342 3.535 37.389 0.00 0.00 SOLV ATOM 23960 H1 TIP3 5989 10.583 4.197 36.695 0.00 0.00 SOLV ATOM 23961 H2 TIP3 5989 10.837 3.846 38.200 0.00 0.00 SOLV ATOM 23962 OH2 TIP3 5990 20.399 16.256 26.218 0.00 0.00 SOLV ATOM 23963 H1 TIP3 5990 20.641 16.490 27.122 0.00 0.00 SOLV ATOM 23964 H2 TIP3 5990 19.972 17.092 25.971 0.00 0.00 SOLV ATOM 23965 OH2 TIP3 5991 -3.702 -28.957 16.819 0.00 0.00 SOLV ATOM 23966 H1 TIP3 5991 -4.471 -28.555 16.399 0.00 0.00 SOLV ATOM 23967 H2 TIP3 5991 -2.940 -28.315 16.714 0.00 0.00 SOLV ATOM 23968 OH2 TIP3 5992 -17.086 -21.789 24.488 0.00 0.00 SOLV ATOM 23969 H1 TIP3 5992 -17.528 -20.937 24.578 0.00 0.00 SOLV ATOM 23970 H2 TIP3 5992 -17.307 -22.117 25.332 0.00 0.00 SOLV ATOM 23971 OH2 TIP3 5993 12.742 2.004 40.947 0.00 0.00 SOLV ATOM 23972 H1 TIP3 5993 12.250 1.184 41.096 0.00 0.00 SOLV ATOM 23973 H2 TIP3 5993 13.654 1.782 41.177 0.00 0.00 SOLV ATOM 23974 OH2 TIP3 5994 6.916 -7.904 44.993 0.00 0.00 SOLV ATOM 23975 H1 TIP3 5994 6.515 -8.764 45.065 0.00 0.00 SOLV ATOM 23976 H2 TIP3 5994 6.690 -7.432 45.843 0.00 0.00 SOLV ATOM 23977 OH2 TIP3 5995 17.346 15.608 38.836 0.00 0.00 SOLV ATOM 23978 H1 TIP3 5995 16.641 15.796 39.475 0.00 0.00 SOLV ATOM 23979 H2 TIP3 5995 16.859 15.226 38.118 0.00 0.00 SOLV ATOM 23980 OH2 TIP3 5996 11.113 13.989 11.815 0.00 0.00 SOLV ATOM 23981 H1 TIP3 5996 10.305 14.372 12.227 0.00 0.00 SOLV ATOM 23982 H2 TIP3 5996 11.701 13.965 12.609 0.00 0.00 SOLV ATOM 23983 OH2 TIP3 5997 -38.673 6.285 9.080 0.00 0.00 SOLV ATOM 23984 H1 TIP3 5997 -38.017 6.940 8.929 0.00 0.00 SOLV ATOM 23985 H2 TIP3 5997 -39.517 6.723 8.676 0.00 0.00 SOLV ATOM 23986 OH2 TIP3 5998 -36.165 16.100 17.639 0.00 0.00 SOLV ATOM 23987 H1 TIP3 5998 -35.290 16.476 17.365 0.00 0.00 SOLV ATOM 23988 H2 TIP3 5998 -35.970 15.151 17.505 0.00 0.00 SOLV ATOM 23989 OH2 TIP3 5999 -34.701 9.097 23.136 0.00 0.00 SOLV ATOM 23990 H1 TIP3 5999 -35.396 9.413 22.518 0.00 0.00 SOLV ATOM 23991 H2 TIP3 5999 -35.182 8.293 23.421 0.00 0.00 SOLV ATOM 23992 OH2 TIP3 6000 7.369 11.062 4.315 0.00 0.00 SOLV ATOM 23993 H1 TIP3 6000 7.028 10.369 4.891 0.00 0.00 SOLV ATOM 23994 H2 TIP3 6000 8.303 10.930 4.423 0.00 0.00 SOLV ATOM 23995 OH2 TIP3 6001 -32.137 10.256 12.196 0.00 0.00 SOLV ATOM 23996 H1 TIP3 6001 -31.535 10.206 12.983 0.00 0.00 SOLV ATOM 23997 H2 TIP3 6001 -31.921 9.509 11.619 0.00 0.00 SOLV ATOM 23998 OH2 TIP3 6002 22.604 12.080 17.195 0.00 0.00 SOLV ATOM 23999 H1 TIP3 6002 22.179 12.787 16.767 0.00 0.00 SOLV ATOM 24000 H2 TIP3 6002 22.071 11.312 16.835 0.00 0.00 SOLV ATOM 24001 OH2 TIP3 6003 8.517 18.374 21.089 0.00 0.00 SOLV ATOM 24002 H1 TIP3 6003 9.113 17.655 21.157 0.00 0.00 SOLV ATOM 24003 H2 TIP3 6003 7.774 17.942 20.616 0.00 0.00 SOLV ATOM 24004 OH2 TIP3 6004 18.493 5.998 31.752 0.00 0.00 SOLV ATOM 24005 H1 TIP3 6004 19.271 6.647 31.884 0.00 0.00 SOLV ATOM 24006 H2 TIP3 6004 18.421 5.620 32.636 0.00 0.00 SOLV ATOM 24007 OH2 TIP3 6005 -35.485 11.025 9.629 0.00 0.00 SOLV ATOM 24008 H1 TIP3 6005 -36.313 11.145 9.107 0.00 0.00 SOLV ATOM 24009 H2 TIP3 6005 -34.996 10.286 9.156 0.00 0.00 SOLV ATOM 24010 OH2 TIP3 6006 10.402 23.542 -44.608 0.00 0.00 SOLV ATOM 24011 H1 TIP3 6006 10.609 23.719 -45.571 0.00 0.00 SOLV ATOM 24012 H2 TIP3 6006 9.471 23.825 -44.411 0.00 0.00 SOLV ATOM 24013 OH2 TIP3 6007 15.183 17.774 -36.737 0.00 0.00 SOLV ATOM 24014 H1 TIP3 6007 15.489 18.487 -37.370 0.00 0.00 SOLV ATOM 24015 H2 TIP3 6007 15.817 17.833 -35.952 0.00 0.00 SOLV ATOM 24016 OH2 TIP3 6008 21.198 17.385 -9.417 0.00 0.00 SOLV ATOM 24017 H1 TIP3 6008 20.390 16.900 -9.290 0.00 0.00 SOLV ATOM 24018 H2 TIP3 6008 20.944 18.325 -9.513 0.00 0.00 SOLV ATOM 24019 OH2 TIP3 6009 14.580 17.474 -22.887 0.00 0.00 SOLV ATOM 24020 H1 TIP3 6009 14.468 16.682 -22.371 0.00 0.00 SOLV ATOM 24021 H2 TIP3 6009 13.794 18.005 -22.597 0.00 0.00 SOLV ATOM 24022 OH2 TIP3 6010 19.198 20.130 5.432 0.00 0.00 SOLV ATOM 24023 H1 TIP3 6010 19.903 19.906 6.120 0.00 0.00 SOLV ATOM 24024 H2 TIP3 6010 19.261 21.080 5.380 0.00 0.00 SOLV ATOM 24025 OH2 TIP3 6011 22.518 22.376 -47.019 0.00 0.00 SOLV ATOM 24026 H1 TIP3 6011 23.396 21.852 -47.006 0.00 0.00 SOLV ATOM 24027 H2 TIP3 6011 22.806 23.211 -46.693 0.00 0.00 SOLV ATOM 24028 OH2 TIP3 6012 23.664 24.428 -45.769 0.00 0.00 SOLV ATOM 24029 H1 TIP3 6012 23.720 25.210 -46.357 0.00 0.00 SOLV ATOM 24030 H2 TIP3 6012 23.881 24.803 -44.902 0.00 0.00 SOLV ATOM 24031 OH2 TIP3 6013 25.776 16.959 -37.262 0.00 0.00 SOLV ATOM 24032 H1 TIP3 6013 26.475 17.268 -37.744 0.00 0.00 SOLV ATOM 24033 H2 TIP3 6013 26.001 17.281 -36.351 0.00 0.00 SOLV ATOM 24034 OH2 TIP3 6014 31.919 -0.521 -20.941 0.00 0.00 SOLV ATOM 24035 H1 TIP3 6014 31.791 -1.312 -20.350 0.00 0.00 SOLV ATOM 24036 H2 TIP3 6014 31.890 0.174 -20.283 0.00 0.00 SOLV ATOM 24037 OH2 TIP3 6015 23.454 31.960 -23.514 0.00 0.00 SOLV ATOM 24038 H1 TIP3 6015 22.697 31.583 -23.066 0.00 0.00 SOLV ATOM 24039 H2 TIP3 6015 23.918 31.220 -23.915 0.00 0.00 SOLV ATOM 24040 OH2 TIP3 6016 23.151 19.392 6.076 0.00 0.00 SOLV ATOM 24041 H1 TIP3 6016 23.655 20.233 5.831 0.00 0.00 SOLV ATOM 24042 H2 TIP3 6016 22.369 19.644 6.573 0.00 0.00 SOLV ATOM 24043 OH2 TIP3 6017 19.612 28.616 -34.033 0.00 0.00 SOLV ATOM 24044 H1 TIP3 6017 19.120 27.793 -34.013 0.00 0.00 SOLV ATOM 24045 H2 TIP3 6017 19.093 29.270 -34.556 0.00 0.00 SOLV ATOM 24046 OH2 TIP3 6018 16.095 33.101 -22.078 0.00 0.00 SOLV ATOM 24047 H1 TIP3 6018 16.424 32.924 -22.999 0.00 0.00 SOLV ATOM 24048 H2 TIP3 6018 15.740 33.995 -22.191 0.00 0.00 SOLV ATOM 24049 OH2 TIP3 6019 21.572 24.519 -14.204 0.00 0.00 SOLV ATOM 24050 H1 TIP3 6019 22.437 24.415 -13.745 0.00 0.00 SOLV ATOM 24051 H2 TIP3 6019 21.846 24.649 -15.101 0.00 0.00 SOLV ATOM 24052 OH2 TIP3 6020 11.648 26.913 6.002 0.00 0.00 SOLV ATOM 24053 H1 TIP3 6020 11.687 27.753 6.541 0.00 0.00 SOLV ATOM 24054 H2 TIP3 6020 12.523 26.754 5.746 0.00 0.00 SOLV ATOM 24055 OH2 TIP3 6021 18.255 18.614 -47.543 0.00 0.00 SOLV ATOM 24056 H1 TIP3 6021 19.156 18.257 -47.388 0.00 0.00 SOLV ATOM 24057 H2 TIP3 6021 18.346 19.580 -47.387 0.00 0.00 SOLV ATOM 24058 OH2 TIP3 6022 22.157 23.309 -42.585 0.00 0.00 SOLV ATOM 24059 H1 TIP3 6022 21.440 22.719 -42.844 0.00 0.00 SOLV ATOM 24060 H2 TIP3 6022 22.926 22.931 -43.061 0.00 0.00 SOLV ATOM 24061 OH2 TIP3 6023 22.140 29.081 -39.965 0.00 0.00 SOLV ATOM 24062 H1 TIP3 6023 22.302 29.199 -39.040 0.00 0.00 SOLV ATOM 24063 H2 TIP3 6023 23.058 29.159 -40.314 0.00 0.00 SOLV ATOM 24064 OH2 TIP3 6024 21.301 24.745 -33.472 0.00 0.00 SOLV ATOM 24065 H1 TIP3 6024 20.725 24.184 -33.972 0.00 0.00 SOLV ATOM 24066 H2 TIP3 6024 21.892 25.064 -34.183 0.00 0.00 SOLV ATOM 24067 OH2 TIP3 6025 -16.823 30.691 -19.874 0.00 0.00 SOLV ATOM 24068 H1 TIP3 6025 -17.466 30.362 -20.541 0.00 0.00 SOLV ATOM 24069 H2 TIP3 6025 -15.938 30.502 -20.318 0.00 0.00 SOLV ATOM 24070 OH2 TIP3 6026 -1.044 24.662 -18.662 0.00 0.00 SOLV ATOM 24071 H1 TIP3 6026 -0.390 24.902 -19.343 0.00 0.00 SOLV ATOM 24072 H2 TIP3 6026 -0.611 23.966 -18.132 0.00 0.00 SOLV ATOM 24073 OH2 TIP3 6027 21.344 32.077 -19.695 0.00 0.00 SOLV ATOM 24074 H1 TIP3 6027 21.535 31.597 -20.534 0.00 0.00 SOLV ATOM 24075 H2 TIP3 6027 20.645 32.658 -20.067 0.00 0.00 SOLV ATOM 24076 OH2 TIP3 6028 20.092 22.205 -48.725 0.00 0.00 SOLV ATOM 24077 H1 TIP3 6028 20.715 22.245 -47.949 0.00 0.00 SOLV ATOM 24078 H2 TIP3 6028 20.288 22.977 -49.315 0.00 0.00 SOLV ATOM 24079 OH2 TIP3 6029 11.854 31.994 -33.967 0.00 0.00 SOLV ATOM 24080 H1 TIP3 6029 11.349 32.145 -33.145 0.00 0.00 SOLV ATOM 24081 H2 TIP3 6029 11.163 31.658 -34.609 0.00 0.00 SOLV ATOM 24082 OH2 TIP3 6030 12.949 26.725 -10.859 0.00 0.00 SOLV ATOM 24083 H1 TIP3 6030 13.900 26.455 -10.704 0.00 0.00 SOLV ATOM 24084 H2 TIP3 6030 12.453 26.149 -10.235 0.00 0.00 SOLV ATOM 24085 OH2 TIP3 6031 -17.483 27.459 -15.216 0.00 0.00 SOLV ATOM 24086 H1 TIP3 6031 -18.313 26.991 -15.106 0.00 0.00 SOLV ATOM 24087 H2 TIP3 6031 -16.990 26.926 -14.639 0.00 0.00 SOLV ATOM 24088 OH2 TIP3 6032 7.052 27.990 -8.268 0.00 0.00 SOLV ATOM 24089 H1 TIP3 6032 7.599 27.361 -7.768 0.00 0.00 SOLV ATOM 24090 H2 TIP3 6032 6.169 27.829 -7.904 0.00 0.00 SOLV ATOM 24091 OH2 TIP3 6033 12.791 28.519 -23.537 0.00 0.00 SOLV ATOM 24092 H1 TIP3 6033 12.799 28.199 -24.497 0.00 0.00 SOLV ATOM 24093 H2 TIP3 6033 12.083 29.183 -23.538 0.00 0.00 SOLV ATOM 24094 OH2 TIP3 6034 12.458 19.639 -8.272 0.00 0.00 SOLV ATOM 24095 H1 TIP3 6034 11.625 20.208 -8.285 0.00 0.00 SOLV ATOM 24096 H2 TIP3 6034 12.994 19.931 -9.035 0.00 0.00 SOLV ATOM 24097 OH2 TIP3 6035 20.194 30.393 -17.953 0.00 0.00 SOLV ATOM 24098 H1 TIP3 6035 20.393 29.598 -18.486 0.00 0.00 SOLV ATOM 24099 H2 TIP3 6035 20.754 31.053 -18.407 0.00 0.00 SOLV ATOM 24100 OH2 TIP3 6036 4.935 35.132 -1.100 0.00 0.00 SOLV ATOM 24101 H1 TIP3 6036 3.978 34.882 -0.997 0.00 0.00 SOLV ATOM 24102 H2 TIP3 6036 4.832 36.072 -1.278 0.00 0.00 SOLV ATOM 24103 OH2 TIP3 6037 -1.085 35.453 -4.507 0.00 0.00 SOLV ATOM 24104 H1 TIP3 6037 -1.324 35.435 -5.463 0.00 0.00 SOLV ATOM 24105 H2 TIP3 6037 -1.967 35.319 -4.115 0.00 0.00 SOLV ATOM 24106 OH2 TIP3 6038 15.639 17.313 6.405 0.00 0.00 SOLV ATOM 24107 H1 TIP3 6038 15.251 17.448 5.524 0.00 0.00 SOLV ATOM 24108 H2 TIP3 6038 14.936 16.678 6.733 0.00 0.00 SOLV ATOM 24109 OH2 TIP3 6039 20.874 21.627 -37.330 0.00 0.00 SOLV ATOM 24110 H1 TIP3 6039 21.742 21.518 -37.639 0.00 0.00 SOLV ATOM 24111 H2 TIP3 6039 20.679 20.700 -37.048 0.00 0.00 SOLV ATOM 24112 OH2 TIP3 6040 17.821 10.112 -44.045 0.00 0.00 SOLV ATOM 24113 H1 TIP3 6040 17.169 10.206 -43.324 0.00 0.00 SOLV ATOM 24114 H2 TIP3 6040 17.873 9.127 -44.077 0.00 0.00 SOLV ATOM 24115 OH2 TIP3 6041 17.513 21.677 -35.806 0.00 0.00 SOLV ATOM 24116 H1 TIP3 6041 16.651 21.280 -35.932 0.00 0.00 SOLV ATOM 24117 H2 TIP3 6041 18.084 20.929 -35.537 0.00 0.00 SOLV ATOM 24118 OH2 TIP3 6042 19.249 17.639 1.689 0.00 0.00 SOLV ATOM 24119 H1 TIP3 6042 18.802 17.142 0.947 0.00 0.00 SOLV ATOM 24120 H2 TIP3 6042 19.061 17.040 2.484 0.00 0.00 SOLV ATOM 24121 OH2 TIP3 6043 9.329 11.385 -39.818 0.00 0.00 SOLV ATOM 24122 H1 TIP3 6043 9.919 12.123 -39.824 0.00 0.00 SOLV ATOM 24123 H2 TIP3 6043 9.536 10.915 -40.655 0.00 0.00 SOLV ATOM 24124 OH2 TIP3 6044 16.701 24.297 -35.698 0.00 0.00 SOLV ATOM 24125 H1 TIP3 6044 16.991 23.435 -35.906 0.00 0.00 SOLV ATOM 24126 H2 TIP3 6044 16.811 24.753 -36.573 0.00 0.00 SOLV ATOM 24127 OH2 TIP3 6045 14.367 19.913 -10.569 0.00 0.00 SOLV ATOM 24128 H1 TIP3 6045 15.020 19.267 -10.077 0.00 0.00 SOLV ATOM 24129 H2 TIP3 6045 14.846 20.754 -10.489 0.00 0.00 SOLV ATOM 24130 OH2 TIP3 6046 19.004 18.051 -11.845 0.00 0.00 SOLV ATOM 24131 H1 TIP3 6046 18.883 17.089 -11.909 0.00 0.00 SOLV ATOM 24132 H2 TIP3 6046 18.142 18.384 -12.112 0.00 0.00 SOLV ATOM 24133 OH2 TIP3 6047 6.908 31.698 -10.579 0.00 0.00 SOLV ATOM 24134 H1 TIP3 6047 6.942 31.713 -11.510 0.00 0.00 SOLV ATOM 24135 H2 TIP3 6047 5.996 31.323 -10.435 0.00 0.00 SOLV ATOM 24136 OH2 TIP3 6048 12.733 18.981 -34.626 0.00 0.00 SOLV ATOM 24137 H1 TIP3 6048 11.951 19.330 -34.142 0.00 0.00 SOLV ATOM 24138 H2 TIP3 6048 12.714 18.030 -34.419 0.00 0.00 SOLV ATOM 24139 OH2 TIP3 6049 2.898 24.347 -13.416 0.00 0.00 SOLV ATOM 24140 H1 TIP3 6049 2.297 24.105 -14.076 0.00 0.00 SOLV ATOM 24141 H2 TIP3 6049 3.356 23.533 -13.173 0.00 0.00 SOLV ATOM 24142 OH2 TIP3 6050 18.908 25.240 -19.514 0.00 0.00 SOLV ATOM 24143 H1 TIP3 6050 18.492 25.523 -20.312 0.00 0.00 SOLV ATOM 24144 H2 TIP3 6050 19.274 24.359 -19.787 0.00 0.00 SOLV ATOM 24145 OH2 TIP3 6051 20.559 26.969 -16.208 0.00 0.00 SOLV ATOM 24146 H1 TIP3 6051 20.725 27.795 -16.661 0.00 0.00 SOLV ATOM 24147 H2 TIP3 6051 19.634 26.933 -16.156 0.00 0.00 SOLV ATOM 24148 OH2 TIP3 6052 15.334 25.417 -10.451 0.00 0.00 SOLV ATOM 24149 H1 TIP3 6052 15.962 26.086 -10.900 0.00 0.00 SOLV ATOM 24150 H2 TIP3 6052 15.432 25.587 -9.500 0.00 0.00 SOLV ATOM 24151 OH2 TIP3 6053 17.057 21.772 -46.241 0.00 0.00 SOLV ATOM 24152 H1 TIP3 6053 17.312 22.522 -45.795 0.00 0.00 SOLV ATOM 24153 H2 TIP3 6053 17.629 21.151 -45.854 0.00 0.00 SOLV ATOM 24154 OH2 TIP3 6054 23.434 25.503 -25.333 0.00 0.00 SOLV ATOM 24155 H1 TIP3 6054 23.158 26.288 -24.843 0.00 0.00 SOLV ATOM 24156 H2 TIP3 6054 22.643 25.228 -25.912 0.00 0.00 SOLV ATOM 24157 OH2 TIP3 6055 29.891 5.817 -32.670 0.00 0.00 SOLV ATOM 24158 H1 TIP3 6055 29.053 5.453 -32.262 0.00 0.00 SOLV ATOM 24159 H2 TIP3 6055 30.301 6.324 -31.956 0.00 0.00 SOLV ATOM 24160 OH2 TIP3 6056 9.438 19.686 -38.540 0.00 0.00 SOLV ATOM 24161 H1 TIP3 6056 8.477 19.593 -38.826 0.00 0.00 SOLV ATOM 24162 H2 TIP3 6056 9.587 19.021 -37.815 0.00 0.00 SOLV ATOM 24163 OH2 TIP3 6057 20.340 24.191 -17.028 0.00 0.00 SOLV ATOM 24164 H1 TIP3 6057 19.903 25.053 -16.927 0.00 0.00 SOLV ATOM 24165 H2 TIP3 6057 19.642 23.569 -17.290 0.00 0.00 SOLV ATOM 24166 OH2 TIP3 6058 14.260 26.647 4.969 0.00 0.00 SOLV ATOM 24167 H1 TIP3 6058 14.773 26.488 4.184 0.00 0.00 SOLV ATOM 24168 H2 TIP3 6058 14.202 27.656 4.999 0.00 0.00 SOLV ATOM 24169 OH2 TIP3 6059 21.400 27.052 -12.391 0.00 0.00 SOLV ATOM 24170 H1 TIP3 6059 21.309 26.316 -13.052 0.00 0.00 SOLV ATOM 24171 H2 TIP3 6059 20.765 27.700 -12.626 0.00 0.00 SOLV ATOM 24172 OH2 TIP3 6060 12.734 28.663 -14.946 0.00 0.00 SOLV ATOM 24173 H1 TIP3 6060 13.424 28.100 -14.592 0.00 0.00 SOLV ATOM 24174 H2 TIP3 6060 12.961 28.725 -15.925 0.00 0.00 SOLV ATOM 24175 OH2 TIP3 6061 18.971 29.016 -11.041 0.00 0.00 SOLV ATOM 24176 H1 TIP3 6061 19.308 29.583 -11.687 0.00 0.00 SOLV ATOM 24177 H2 TIP3 6061 18.901 29.594 -10.238 0.00 0.00 SOLV ATOM 24178 OH2 TIP3 6062 23.615 26.189 -9.973 0.00 0.00 SOLV ATOM 24179 H1 TIP3 6062 23.434 27.149 -9.913 0.00 0.00 SOLV ATOM 24180 H2 TIP3 6062 23.036 25.890 -10.734 0.00 0.00 SOLV ATOM 24181 OH2 TIP3 6063 32.864 7.366 -18.361 0.00 0.00 SOLV ATOM 24182 H1 TIP3 6063 33.727 6.871 -18.541 0.00 0.00 SOLV ATOM 24183 H2 TIP3 6063 32.883 7.387 -17.382 0.00 0.00 SOLV ATOM 24184 OH2 TIP3 6064 21.026 21.559 -32.771 0.00 0.00 SOLV ATOM 24185 H1 TIP3 6064 21.113 20.691 -33.141 0.00 0.00 SOLV ATOM 24186 H2 TIP3 6064 20.893 22.101 -33.560 0.00 0.00 SOLV ATOM 24187 OH2 TIP3 6065 16.556 20.254 -29.149 0.00 0.00 SOLV ATOM 24188 H1 TIP3 6065 17.034 20.913 -28.637 0.00 0.00 SOLV ATOM 24189 H2 TIP3 6065 17.179 20.113 -29.881 0.00 0.00 SOLV ATOM 24190 OH2 TIP3 6066 4.797 26.462 -16.769 0.00 0.00 SOLV ATOM 24191 H1 TIP3 6066 5.158 25.904 -16.024 0.00 0.00 SOLV ATOM 24192 H2 TIP3 6066 5.212 27.333 -16.576 0.00 0.00 SOLV ATOM 24193 OH2 TIP3 6067 21.774 20.359 -40.859 0.00 0.00 SOLV ATOM 24194 H1 TIP3 6067 22.288 21.000 -40.356 0.00 0.00 SOLV ATOM 24195 H2 TIP3 6067 22.277 20.275 -41.658 0.00 0.00 SOLV ATOM 24196 OH2 TIP3 6068 18.306 17.794 -43.538 0.00 0.00 SOLV ATOM 24197 H1 TIP3 6068 18.201 17.259 -44.331 0.00 0.00 SOLV ATOM 24198 H2 TIP3 6068 18.233 17.174 -42.777 0.00 0.00 SOLV ATOM 24199 OH2 TIP3 6069 29.733 0.940 -24.693 0.00 0.00 SOLV ATOM 24200 H1 TIP3 6069 29.087 1.199 -25.409 0.00 0.00 SOLV ATOM 24201 H2 TIP3 6069 30.014 1.775 -24.348 0.00 0.00 SOLV ATOM 24202 OH2 TIP3 6070 -25.279 19.404 -12.966 0.00 0.00 SOLV ATOM 24203 H1 TIP3 6070 -25.083 19.705 -12.014 0.00 0.00 SOLV ATOM 24204 H2 TIP3 6070 -26.052 19.890 -13.224 0.00 0.00 SOLV ATOM 24205 OH2 TIP3 6071 17.638 30.839 -38.454 0.00 0.00 SOLV ATOM 24206 H1 TIP3 6071 18.358 30.279 -38.057 0.00 0.00 SOLV ATOM 24207 H2 TIP3 6071 17.608 30.517 -39.415 0.00 0.00 SOLV ATOM 24208 OH2 TIP3 6072 35.033 8.437 -25.207 0.00 0.00 SOLV ATOM 24209 H1 TIP3 6072 35.198 8.815 -24.297 0.00 0.00 SOLV ATOM 24210 H2 TIP3 6072 35.886 8.061 -25.481 0.00 0.00 SOLV ATOM 24211 OH2 TIP3 6073 13.171 24.128 -37.283 0.00 0.00 SOLV ATOM 24212 H1 TIP3 6073 13.770 24.364 -38.065 0.00 0.00 SOLV ATOM 24213 H2 TIP3 6073 13.460 23.241 -37.110 0.00 0.00 SOLV ATOM 24214 OH2 TIP3 6074 18.039 16.862 3.990 0.00 0.00 SOLV ATOM 24215 H1 TIP3 6074 17.919 15.945 3.967 0.00 0.00 SOLV ATOM 24216 H2 TIP3 6074 18.263 16.981 4.918 0.00 0.00 SOLV ATOM 24217 OH2 TIP3 6075 14.604 22.753 -0.085 0.00 0.00 SOLV ATOM 24218 H1 TIP3 6075 13.722 22.795 0.301 0.00 0.00 SOLV ATOM 24219 H2 TIP3 6075 15.123 22.295 0.639 0.00 0.00 SOLV ATOM 24220 OH2 TIP3 6076 12.430 30.753 -21.473 0.00 0.00 SOLV ATOM 24221 H1 TIP3 6076 12.231 30.103 -20.786 0.00 0.00 SOLV ATOM 24222 H2 TIP3 6076 13.313 30.489 -21.750 0.00 0.00 SOLV ATOM 24223 OH2 TIP3 6077 -29.746 21.711 -0.876 0.00 0.00 SOLV ATOM 24224 H1 TIP3 6077 -30.089 21.573 -0.015 0.00 0.00 SOLV ATOM 24225 H2 TIP3 6077 -28.822 21.890 -0.760 0.00 0.00 SOLV ATOM 24226 OH2 TIP3 6078 -20.025 23.719 -27.424 0.00 0.00 SOLV ATOM 24227 H1 TIP3 6078 -19.219 23.149 -27.581 0.00 0.00 SOLV ATOM 24228 H2 TIP3 6078 -19.711 24.239 -26.695 0.00 0.00 SOLV ATOM 24229 OH2 TIP3 6079 23.494 19.907 -5.278 0.00 0.00 SOLV ATOM 24230 H1 TIP3 6079 22.923 20.622 -4.938 0.00 0.00 SOLV ATOM 24231 H2 TIP3 6079 24.433 20.120 -5.057 0.00 0.00 SOLV ATOM 24232 OH2 TIP3 6080 22.049 23.877 -10.654 0.00 0.00 SOLV ATOM 24233 H1 TIP3 6080 23.004 23.784 -10.397 0.00 0.00 SOLV ATOM 24234 H2 TIP3 6080 21.812 22.962 -10.852 0.00 0.00 SOLV ATOM 24235 OH2 TIP3 6081 -29.241 20.587 3.378 0.00 0.00 SOLV ATOM 24236 H1 TIP3 6081 -28.814 20.014 2.672 0.00 0.00 SOLV ATOM 24237 H2 TIP3 6081 -30.032 20.153 3.598 0.00 0.00 SOLV ATOM 24238 OH2 TIP3 6082 -25.945 21.204 -4.929 0.00 0.00 SOLV ATOM 24239 H1 TIP3 6082 -25.818 20.663 -4.113 0.00 0.00 SOLV ATOM 24240 H2 TIP3 6082 -25.093 21.733 -4.948 0.00 0.00 SOLV ATOM 24241 OH2 TIP3 6083 23.065 25.194 -31.418 0.00 0.00 SOLV ATOM 24242 H1 TIP3 6083 22.211 25.087 -31.891 0.00 0.00 SOLV ATOM 24243 H2 TIP3 6083 23.743 24.774 -31.955 0.00 0.00 SOLV ATOM 24244 OH2 TIP3 6084 17.134 29.071 -35.474 0.00 0.00 SOLV ATOM 24245 H1 TIP3 6084 16.299 29.470 -35.754 0.00 0.00 SOLV ATOM 24246 H2 TIP3 6084 17.680 29.200 -36.244 0.00 0.00 SOLV ATOM 24247 OH2 TIP3 6085 22.477 29.176 -8.949 0.00 0.00 SOLV ATOM 24248 H1 TIP3 6085 23.458 29.163 -9.091 0.00 0.00 SOLV ATOM 24249 H2 TIP3 6085 22.331 30.010 -8.481 0.00 0.00 SOLV ATOM 24250 OH2 TIP3 6086 32.207 12.748 -25.955 0.00 0.00 SOLV ATOM 24251 H1 TIP3 6086 32.145 13.687 -26.211 0.00 0.00 SOLV ATOM 24252 H2 TIP3 6086 32.494 12.759 -25.048 0.00 0.00 SOLV ATOM 24253 OH2 TIP3 6087 -16.730 31.454 -12.057 0.00 0.00 SOLV ATOM 24254 H1 TIP3 6087 -17.459 30.823 -11.776 0.00 0.00 SOLV ATOM 24255 H2 TIP3 6087 -15.976 31.144 -11.450 0.00 0.00 SOLV ATOM 24256 OH2 TIP3 6088 15.892 35.283 -30.065 0.00 0.00 SOLV ATOM 24257 H1 TIP3 6088 15.616 36.141 -30.233 0.00 0.00 SOLV ATOM 24258 H2 TIP3 6088 15.645 34.910 -30.967 0.00 0.00 SOLV ATOM 24259 OH2 TIP3 6089 -16.566 21.194 -24.929 0.00 0.00 SOLV ATOM 24260 H1 TIP3 6089 -15.751 21.175 -25.435 0.00 0.00 SOLV ATOM 24261 H2 TIP3 6089 -16.703 20.234 -24.787 0.00 0.00 SOLV ATOM 24262 OH2 TIP3 6090 -18.554 16.788 -31.264 0.00 0.00 SOLV ATOM 24263 H1 TIP3 6090 -18.357 16.033 -30.647 0.00 0.00 SOLV ATOM 24264 H2 TIP3 6090 -17.736 17.118 -31.629 0.00 0.00 SOLV ATOM 24265 OH2 TIP3 6091 -22.328 24.281 -14.390 0.00 0.00 SOLV ATOM 24266 H1 TIP3 6091 -21.390 24.220 -14.551 0.00 0.00 SOLV ATOM 24267 H2 TIP3 6091 -22.774 24.608 -15.176 0.00 0.00 SOLV ATOM 24268 OH2 TIP3 6092 22.180 19.484 -17.855 0.00 0.00 SOLV ATOM 24269 H1 TIP3 6092 21.557 19.822 -17.213 0.00 0.00 SOLV ATOM 24270 H2 TIP3 6092 22.894 19.115 -17.231 0.00 0.00 SOLV ATOM 24271 OH2 TIP3 6093 -25.605 16.829 6.391 0.00 0.00 SOLV ATOM 24272 H1 TIP3 6093 -25.468 17.195 7.277 0.00 0.00 SOLV ATOM 24273 H2 TIP3 6093 -26.014 16.012 6.603 0.00 0.00 SOLV ATOM 24274 OH2 TIP3 6094 -27.629 22.761 3.582 0.00 0.00 SOLV ATOM 24275 H1 TIP3 6094 -27.614 23.099 2.661 0.00 0.00 SOLV ATOM 24276 H2 TIP3 6094 -28.127 21.914 3.533 0.00 0.00 SOLV ATOM 24277 OH2 TIP3 6095 22.554 25.406 -35.653 0.00 0.00 SOLV ATOM 24278 H1 TIP3 6095 22.932 25.652 -36.533 0.00 0.00 SOLV ATOM 24279 H2 TIP3 6095 21.728 25.930 -35.665 0.00 0.00 SOLV ATOM 24280 OH2 TIP3 6096 -28.227 24.517 -1.985 0.00 0.00 SOLV ATOM 24281 H1 TIP3 6096 -27.714 25.349 -2.053 0.00 0.00 SOLV ATOM 24282 H2 TIP3 6096 -27.923 24.059 -2.788 0.00 0.00 SOLV ATOM 24283 OH2 TIP3 6097 -24.406 18.718 4.603 0.00 0.00 SOLV ATOM 24284 H1 TIP3 6097 -24.761 17.904 5.031 0.00 0.00 SOLV ATOM 24285 H2 TIP3 6097 -24.630 18.641 3.630 0.00 0.00 SOLV ATOM 24286 OH2 TIP3 6098 -11.920 30.198 2.127 0.00 0.00 SOLV ATOM 24287 H1 TIP3 6098 -11.234 29.525 2.386 0.00 0.00 SOLV ATOM 24288 H2 TIP3 6098 -11.737 30.918 2.748 0.00 0.00 SOLV ATOM 24289 OH2 TIP3 6099 -29.536 19.220 -17.428 0.00 0.00 SOLV ATOM 24290 H1 TIP3 6099 -29.776 20.142 -17.362 0.00 0.00 SOLV ATOM 24291 H2 TIP3 6099 -28.611 19.253 -17.000 0.00 0.00 SOLV ATOM 24292 OH2 TIP3 6100 -21.101 27.358 2.513 0.00 0.00 SOLV ATOM 24293 H1 TIP3 6100 -20.849 26.434 2.738 0.00 0.00 SOLV ATOM 24294 H2 TIP3 6100 -21.526 27.642 3.354 0.00 0.00 SOLV ATOM 24295 OH2 TIP3 6101 -14.153 30.675 0.304 0.00 0.00 SOLV ATOM 24296 H1 TIP3 6101 -14.607 29.876 0.632 0.00 0.00 SOLV ATOM 24297 H2 TIP3 6101 -13.413 30.767 0.934 0.00 0.00 SOLV ATOM 24298 OH2 TIP3 6102 20.000 30.742 -27.000 0.00 0.00 SOLV ATOM 24299 H1 TIP3 6102 19.408 30.414 -27.669 0.00 0.00 SOLV ATOM 24300 H2 TIP3 6102 19.996 31.628 -27.200 0.00 0.00 SOLV ATOM 24301 OH2 TIP3 6103 -8.744 27.698 -0.298 0.00 0.00 SOLV ATOM 24302 H1 TIP3 6103 -8.201 28.458 -0.382 0.00 0.00 SOLV ATOM 24303 H2 TIP3 6103 -9.642 28.123 -0.323 0.00 0.00 SOLV ATOM 24304 OH2 TIP3 6104 -21.669 30.491 2.759 0.00 0.00 SOLV ATOM 24305 H1 TIP3 6104 -20.905 29.847 2.885 0.00 0.00 SOLV ATOM 24306 H2 TIP3 6104 -21.832 30.293 1.781 0.00 0.00 SOLV ATOM 24307 OH2 TIP3 6105 18.078 26.086 -17.082 0.00 0.00 SOLV ATOM 24308 H1 TIP3 6105 17.999 26.024 -18.110 0.00 0.00 SOLV ATOM 24309 H2 TIP3 6105 17.172 25.601 -16.805 0.00 0.00 SOLV ATOM 24310 OH2 TIP3 6106 13.727 25.649 -6.265 0.00 0.00 SOLV ATOM 24311 H1 TIP3 6106 13.628 24.816 -6.741 0.00 0.00 SOLV ATOM 24312 H2 TIP3 6106 12.923 26.094 -6.516 0.00 0.00 SOLV ATOM 24313 OH2 TIP3 6107 -23.658 25.788 -9.984 0.00 0.00 SOLV ATOM 24314 H1 TIP3 6107 -23.370 26.201 -10.784 0.00 0.00 SOLV ATOM 24315 H2 TIP3 6107 -23.887 24.876 -10.280 0.00 0.00 SOLV ATOM 24316 OH2 TIP3 6108 17.225 30.561 -29.268 0.00 0.00 SOLV ATOM 24317 H1 TIP3 6108 18.163 30.649 -29.629 0.00 0.00 SOLV ATOM 24318 H2 TIP3 6108 16.993 31.458 -28.927 0.00 0.00 SOLV ATOM 24319 OH2 TIP3 6109 -19.628 25.092 -11.601 0.00 0.00 SOLV ATOM 24320 H1 TIP3 6109 -20.187 25.152 -10.816 0.00 0.00 SOLV ATOM 24321 H2 TIP3 6109 -19.148 24.279 -11.454 0.00 0.00 SOLV ATOM 24322 OH2 TIP3 6110 16.870 34.700 -33.481 0.00 0.00 SOLV ATOM 24323 H1 TIP3 6110 17.782 34.736 -33.559 0.00 0.00 SOLV ATOM 24324 H2 TIP3 6110 16.709 33.740 -33.300 0.00 0.00 SOLV ATOM 24325 OH2 TIP3 6111 19.461 29.269 -37.282 0.00 0.00 SOLV ATOM 24326 H1 TIP3 6111 20.429 29.419 -37.189 0.00 0.00 SOLV ATOM 24327 H2 TIP3 6111 19.465 28.258 -37.521 0.00 0.00 SOLV ATOM 24328 OH2 TIP3 6112 22.611 28.044 -24.112 0.00 0.00 SOLV ATOM 24329 H1 TIP3 6112 23.442 28.583 -23.972 0.00 0.00 SOLV ATOM 24330 H2 TIP3 6112 22.369 27.837 -23.169 0.00 0.00 SOLV ATOM 24331 OH2 TIP3 6113 -18.975 24.662 -19.925 0.00 0.00 SOLV ATOM 24332 H1 TIP3 6113 -19.613 24.405 -20.678 0.00 0.00 SOLV ATOM 24333 H2 TIP3 6113 -18.145 24.712 -20.372 0.00 0.00 SOLV ATOM 24334 OH2 TIP3 6114 -28.307 17.750 -22.538 0.00 0.00 SOLV ATOM 24335 H1 TIP3 6114 -27.646 18.296 -22.985 0.00 0.00 SOLV ATOM 24336 H2 TIP3 6114 -27.865 17.495 -21.683 0.00 0.00 SOLV ATOM 24337 OH2 TIP3 6115 -27.509 17.218 -6.877 0.00 0.00 SOLV ATOM 24338 H1 TIP3 6115 -26.894 16.552 -6.686 0.00 0.00 SOLV ATOM 24339 H2 TIP3 6115 -27.296 17.507 -7.832 0.00 0.00 SOLV ATOM 24340 OH2 TIP3 6116 -24.195 25.126 -16.299 0.00 0.00 SOLV ATOM 24341 H1 TIP3 6116 -24.604 25.974 -16.316 0.00 0.00 SOLV ATOM 24342 H2 TIP3 6116 -24.028 24.909 -17.248 0.00 0.00 SOLV ATOM 24343 OH2 TIP3 6117 -17.417 26.095 -21.433 0.00 0.00 SOLV ATOM 24344 H1 TIP3 6117 -17.877 26.617 -22.075 0.00 0.00 SOLV ATOM 24345 H2 TIP3 6117 -16.974 25.469 -21.960 0.00 0.00 SOLV ATOM 24346 OH2 TIP3 6118 -17.569 24.010 -6.039 0.00 0.00 SOLV ATOM 24347 H1 TIP3 6118 -18.404 24.435 -5.800 0.00 0.00 SOLV ATOM 24348 H2 TIP3 6118 -16.940 24.772 -6.228 0.00 0.00 SOLV ATOM 24349 OH2 TIP3 6119 -23.275 6.020 22.540 0.00 0.00 SOLV ATOM 24350 H1 TIP3 6119 -23.893 5.309 22.774 0.00 0.00 SOLV ATOM 24351 H2 TIP3 6119 -23.749 6.900 22.662 0.00 0.00 SOLV ATOM 24352 OH2 TIP3 6120 24.259 16.615 -51.265 0.00 0.00 SOLV ATOM 24353 H1 TIP3 6120 23.542 16.514 -50.567 0.00 0.00 SOLV ATOM 24354 H2 TIP3 6120 24.616 17.519 -51.107 0.00 0.00 SOLV ATOM 24355 OH2 TIP3 6121 -19.916 19.688 -23.645 0.00 0.00 SOLV ATOM 24356 H1 TIP3 6121 -20.568 19.185 -24.156 0.00 0.00 SOLV ATOM 24357 H2 TIP3 6121 -20.135 19.510 -22.775 0.00 0.00 SOLV ATOM 24358 OH2 TIP3 6122 -22.330 22.934 -6.927 0.00 0.00 SOLV ATOM 24359 H1 TIP3 6122 -22.601 22.045 -7.071 0.00 0.00 SOLV ATOM 24360 H2 TIP3 6122 -23.070 23.449 -7.238 0.00 0.00 SOLV ATOM 24361 OH2 TIP3 6123 -15.708 20.106 8.776 0.00 0.00 SOLV ATOM 24362 H1 TIP3 6123 -15.773 19.522 7.998 0.00 0.00 SOLV ATOM 24363 H2 TIP3 6123 -16.620 19.994 9.198 0.00 0.00 SOLV ATOM 24364 OH2 TIP3 6124 -17.313 31.144 -8.702 0.00 0.00 SOLV ATOM 24365 H1 TIP3 6124 -17.687 30.792 -9.527 0.00 0.00 SOLV ATOM 24366 H2 TIP3 6124 -17.269 30.378 -8.160 0.00 0.00 SOLV ATOM 24367 OH2 TIP3 6125 -21.849 28.186 -21.389 0.00 0.00 SOLV ATOM 24368 H1 TIP3 6125 -22.631 28.006 -20.801 0.00 0.00 SOLV ATOM 24369 H2 TIP3 6125 -22.284 28.194 -22.269 0.00 0.00 SOLV ATOM 24370 OH2 TIP3 6126 -25.060 27.455 -21.976 0.00 0.00 SOLV ATOM 24371 H1 TIP3 6126 -24.587 27.083 -22.753 0.00 0.00 SOLV ATOM 24372 H2 TIP3 6126 -24.651 26.922 -21.328 0.00 0.00 SOLV ATOM 24373 OH2 TIP3 6127 -15.267 33.031 -8.934 0.00 0.00 SOLV ATOM 24374 H1 TIP3 6127 -14.461 32.801 -8.460 0.00 0.00 SOLV ATOM 24375 H2 TIP3 6127 -15.905 32.298 -8.683 0.00 0.00 SOLV ATOM 24376 OH2 TIP3 6128 -3.089 7.684 20.841 0.00 0.00 SOLV ATOM 24377 H1 TIP3 6128 -2.173 7.795 21.080 0.00 0.00 SOLV ATOM 24378 H2 TIP3 6128 -3.554 8.367 21.437 0.00 0.00 SOLV ATOM 24379 OH2 TIP3 6129 -15.283 33.466 -26.416 0.00 0.00 SOLV ATOM 24380 H1 TIP3 6129 -15.136 34.354 -26.617 0.00 0.00 SOLV ATOM 24381 H2 TIP3 6129 -14.433 33.008 -26.393 0.00 0.00 SOLV ATOM 24382 OH2 TIP3 6130 -17.852 3.034 -2.055 0.00 0.00 SOLV ATOM 24383 H1 TIP3 6130 -17.821 3.995 -2.410 0.00 0.00 SOLV ATOM 24384 H2 TIP3 6130 -17.617 3.186 -1.058 0.00 0.00 SOLV ATOM 24385 OH2 TIP3 6131 -25.556 27.094 -17.615 0.00 0.00 SOLV ATOM 24386 H1 TIP3 6131 -26.037 27.886 -17.416 0.00 0.00 SOLV ATOM 24387 H2 TIP3 6131 -26.163 26.584 -18.099 0.00 0.00 SOLV ATOM 24388 OH2 TIP3 6132 -28.905 18.954 -1.767 0.00 0.00 SOLV ATOM 24389 H1 TIP3 6132 -28.069 19.350 -2.049 0.00 0.00 SOLV ATOM 24390 H2 TIP3 6132 -29.641 19.316 -2.256 0.00 0.00 SOLV ATOM 24391 OH2 TIP3 6133 -17.560 34.796 -14.963 0.00 0.00 SOLV ATOM 24392 H1 TIP3 6133 -18.239 34.375 -15.572 0.00 0.00 SOLV ATOM 24393 H2 TIP3 6133 -17.649 34.375 -14.096 0.00 0.00 SOLV ATOM 24394 OH2 TIP3 6134 -12.096 11.986 -24.808 0.00 0.00 SOLV ATOM 24395 H1 TIP3 6134 -12.772 11.368 -24.994 0.00 0.00 SOLV ATOM 24396 H2 TIP3 6134 -12.428 12.776 -25.227 0.00 0.00 SOLV ATOM 24397 OH2 TIP3 6135 -30.963 18.964 -8.454 0.00 0.00 SOLV ATOM 24398 H1 TIP3 6135 -30.690 18.192 -8.904 0.00 0.00 SOLV ATOM 24399 H2 TIP3 6135 -31.403 19.445 -9.147 0.00 0.00 SOLV ATOM 24400 OH2 TIP3 6136 -22.480 29.169 0.247 0.00 0.00 SOLV ATOM 24401 H1 TIP3 6136 -23.135 28.622 0.670 0.00 0.00 SOLV ATOM 24402 H2 TIP3 6136 -23.087 29.803 -0.216 0.00 0.00 SOLV ATOM 24403 OH2 TIP3 6137 -26.072 20.899 -9.421 0.00 0.00 SOLV ATOM 24404 H1 TIP3 6137 -26.353 21.137 -8.566 0.00 0.00 SOLV ATOM 24405 H2 TIP3 6137 -26.689 21.428 -10.043 0.00 0.00 SOLV ATOM 24406 OH2 TIP3 6138 -17.149 29.065 -7.106 0.00 0.00 SOLV ATOM 24407 H1 TIP3 6138 -16.865 28.531 -6.380 0.00 0.00 SOLV ATOM 24408 H2 TIP3 6138 -17.994 28.667 -7.405 0.00 0.00 SOLV ATOM 24409 OH2 TIP3 6139 -19.103 31.357 -5.859 0.00 0.00 SOLV ATOM 24410 H1 TIP3 6139 -19.836 31.741 -6.430 0.00 0.00 SOLV ATOM 24411 H2 TIP3 6139 -18.431 30.991 -6.491 0.00 0.00 SOLV ATOM 24412 OH2 TIP3 6140 -20.268 31.987 -20.055 0.00 0.00 SOLV ATOM 24413 H1 TIP3 6140 -20.659 32.059 -20.952 0.00 0.00 SOLV ATOM 24414 H2 TIP3 6140 -19.983 31.084 -20.081 0.00 0.00 SOLV ATOM 24415 OH2 TIP3 6141 -18.817 29.489 -27.149 0.00 0.00 SOLV ATOM 24416 H1 TIP3 6141 -18.385 30.343 -27.081 0.00 0.00 SOLV ATOM 24417 H2 TIP3 6141 -18.194 29.033 -27.735 0.00 0.00 SOLV ATOM 24418 OH2 TIP3 6142 20.670 27.173 -41.413 0.00 0.00 SOLV ATOM 24419 H1 TIP3 6142 21.123 27.570 -42.159 0.00 0.00 SOLV ATOM 24420 H2 TIP3 6142 20.697 27.897 -40.810 0.00 0.00 SOLV ATOM 24421 OH2 TIP3 6143 -26.207 21.011 -19.472 0.00 0.00 SOLV ATOM 24422 H1 TIP3 6143 -26.550 21.526 -20.242 0.00 0.00 SOLV ATOM 24423 H2 TIP3 6143 -26.166 21.649 -18.806 0.00 0.00 SOLV ATOM 24424 OH2 TIP3 6144 -31.864 19.288 2.393 0.00 0.00 SOLV ATOM 24425 H1 TIP3 6144 -32.743 18.892 2.362 0.00 0.00 SOLV ATOM 24426 H2 TIP3 6144 -31.487 19.053 1.502 0.00 0.00 SOLV ATOM 24427 OH2 TIP3 6145 -22.294 17.427 -19.775 0.00 0.00 SOLV ATOM 24428 H1 TIP3 6145 -23.025 16.810 -19.669 0.00 0.00 SOLV ATOM 24429 H2 TIP3 6145 -22.579 18.186 -19.244 0.00 0.00 SOLV ATOM 24430 OH2 TIP3 6146 -12.955 24.803 -26.379 0.00 0.00 SOLV ATOM 24431 H1 TIP3 6146 -13.644 25.380 -26.808 0.00 0.00 SOLV ATOM 24432 H2 TIP3 6146 -13.541 24.347 -25.699 0.00 0.00 SOLV ATOM 24433 OH2 TIP3 6147 -29.438 18.029 -11.294 0.00 0.00 SOLV ATOM 24434 H1 TIP3 6147 -28.744 18.183 -10.599 0.00 0.00 SOLV ATOM 24435 H2 TIP3 6147 -29.907 17.297 -10.830 0.00 0.00 SOLV ATOM 24436 OH2 TIP3 6148 -24.758 24.538 -2.401 0.00 0.00 SOLV ATOM 24437 H1 TIP3 6148 -24.741 25.444 -2.027 0.00 0.00 SOLV ATOM 24438 H2 TIP3 6148 -25.457 24.649 -3.125 0.00 0.00 SOLV ATOM 24439 OH2 TIP3 6149 -10.705 24.039 -28.158 0.00 0.00 SOLV ATOM 24440 H1 TIP3 6149 -11.410 23.758 -28.786 0.00 0.00 SOLV ATOM 24441 H2 TIP3 6149 -11.129 24.281 -27.383 0.00 0.00 SOLV ATOM 24442 OH2 TIP3 6150 19.520 25.067 -25.782 0.00 0.00 SOLV ATOM 24443 H1 TIP3 6150 19.038 25.417 -26.527 0.00 0.00 SOLV ATOM 24444 H2 TIP3 6150 19.785 25.949 -25.328 0.00 0.00 SOLV ATOM 24445 OH2 TIP3 6151 -24.525 25.586 -24.145 0.00 0.00 SOLV ATOM 24446 H1 TIP3 6151 -25.559 25.635 -24.169 0.00 0.00 SOLV ATOM 24447 H2 TIP3 6151 -24.275 25.514 -25.103 0.00 0.00 SOLV ATOM 24448 OH2 TIP3 6152 -19.852 22.135 4.550 0.00 0.00 SOLV ATOM 24449 H1 TIP3 6152 -20.228 21.711 3.744 0.00 0.00 SOLV ATOM 24450 H2 TIP3 6152 -20.183 23.043 4.396 0.00 0.00 SOLV ATOM 24451 OH2 TIP3 6153 -27.175 23.609 -13.363 0.00 0.00 SOLV ATOM 24452 H1 TIP3 6153 -26.688 22.953 -13.903 0.00 0.00 SOLV ATOM 24453 H2 TIP3 6153 -26.786 23.413 -12.515 0.00 0.00 SOLV ATOM 24454 OH2 TIP3 6154 -24.666 18.683 -24.091 0.00 0.00 SOLV ATOM 24455 H1 TIP3 6154 -24.853 17.878 -23.491 0.00 0.00 SOLV ATOM 24456 H2 TIP3 6154 -23.748 18.501 -24.359 0.00 0.00 SOLV ATOM 24457 OH2 TIP3 6155 -23.778 22.206 -13.623 0.00 0.00 SOLV ATOM 24458 H1 TIP3 6155 -23.265 23.030 -13.869 0.00 0.00 SOLV ATOM 24459 H2 TIP3 6155 -23.771 21.682 -14.457 0.00 0.00 SOLV ATOM 24460 OH2 TIP3 6156 -20.356 31.474 -3.159 0.00 0.00 SOLV ATOM 24461 H1 TIP3 6156 -19.785 31.337 -2.388 0.00 0.00 SOLV ATOM 24462 H2 TIP3 6156 -19.755 31.494 -3.889 0.00 0.00 SOLV ATOM 24463 OH2 TIP3 6157 0.398 10.559 9.373 0.00 0.00 SOLV ATOM 24464 H1 TIP3 6157 1.071 10.264 8.651 0.00 0.00 SOLV ATOM 24465 H2 TIP3 6157 -0.442 10.744 8.809 0.00 0.00 SOLV ATOM 24466 OH2 TIP3 6158 -25.964 19.497 -2.651 0.00 0.00 SOLV ATOM 24467 H1 TIP3 6158 -25.102 19.227 -2.430 0.00 0.00 SOLV ATOM 24468 H2 TIP3 6158 -26.289 18.843 -3.340 0.00 0.00 SOLV ATOM 24469 OH2 TIP3 6159 -19.624 28.016 -7.647 0.00 0.00 SOLV ATOM 24470 H1 TIP3 6159 -20.284 27.703 -7.062 0.00 0.00 SOLV ATOM 24471 H2 TIP3 6159 -20.243 28.469 -8.308 0.00 0.00 SOLV ATOM 24472 OH2 TIP3 6160 -18.580 22.553 -23.868 0.00 0.00 SOLV ATOM 24473 H1 TIP3 6160 -19.107 21.754 -23.764 0.00 0.00 SOLV ATOM 24474 H2 TIP3 6160 -17.846 22.188 -24.468 0.00 0.00 SOLV ATOM 24475 OH2 TIP3 6161 -14.998 29.421 -14.397 0.00 0.00 SOLV ATOM 24476 H1 TIP3 6161 -15.441 29.600 -15.222 0.00 0.00 SOLV ATOM 24477 H2 TIP3 6161 -15.319 30.152 -13.875 0.00 0.00 SOLV ATOM 24478 OH2 TIP3 6162 -25.756 23.070 -17.691 0.00 0.00 SOLV ATOM 24479 H1 TIP3 6162 -26.562 23.551 -17.680 0.00 0.00 SOLV ATOM 24480 H2 TIP3 6162 -25.208 23.593 -17.099 0.00 0.00 SOLV ATOM 24481 OH2 TIP3 6163 -22.191 9.668 -2.986 0.00 0.00 SOLV ATOM 24482 H1 TIP3 6163 -22.006 9.821 -2.031 0.00 0.00 SOLV ATOM 24483 H2 TIP3 6163 -23.096 9.352 -2.942 0.00 0.00 SOLV ATOM 24484 OH2 TIP3 6164 -16.266 33.813 -1.913 0.00 0.00 SOLV ATOM 24485 H1 TIP3 6164 -16.915 33.792 -2.641 0.00 0.00 SOLV ATOM 24486 H2 TIP3 6164 -16.818 33.463 -1.184 0.00 0.00 SOLV ATOM 24487 OH2 TIP3 6165 -1.100 30.692 -9.173 0.00 0.00 SOLV ATOM 24488 H1 TIP3 6165 -1.359 29.934 -8.591 0.00 0.00 SOLV ATOM 24489 H2 TIP3 6165 -1.467 30.461 -10.044 0.00 0.00 SOLV ATOM 24490 OH2 TIP3 6166 -17.788 22.223 -27.154 0.00 0.00 SOLV ATOM 24491 H1 TIP3 6166 -17.197 21.934 -26.443 0.00 0.00 SOLV ATOM 24492 H2 TIP3 6166 -17.192 22.555 -27.842 0.00 0.00 SOLV ATOM 24493 OH2 TIP3 6167 -26.767 17.126 -14.902 0.00 0.00 SOLV ATOM 24494 H1 TIP3 6167 -26.609 17.415 -14.014 0.00 0.00 SOLV ATOM 24495 H2 TIP3 6167 -26.151 16.399 -15.020 0.00 0.00 SOLV ATOM 24496 OH2 TIP3 6168 -7.012 18.941 -26.939 0.00 0.00 SOLV ATOM 24497 H1 TIP3 6168 -6.161 18.658 -27.142 0.00 0.00 SOLV ATOM 24498 H2 TIP3 6168 -6.980 19.857 -27.201 0.00 0.00 SOLV ATOM 24499 OH2 TIP3 6169 -2.783 27.491 -4.087 0.00 0.00 SOLV ATOM 24500 H1 TIP3 6169 -3.219 28.333 -4.025 0.00 0.00 SOLV ATOM 24501 H2 TIP3 6169 -1.844 27.672 -4.324 0.00 0.00 SOLV ATOM 24502 OH2 TIP3 6170 -15.814 26.276 0.010 0.00 0.00 SOLV ATOM 24503 H1 TIP3 6170 -15.364 25.460 0.236 0.00 0.00 SOLV ATOM 24504 H2 TIP3 6170 -15.597 26.865 0.748 0.00 0.00 SOLV ATOM 24505 OH2 TIP3 6171 -15.819 30.386 -29.392 0.00 0.00 SOLV ATOM 24506 H1 TIP3 6171 -15.789 30.325 -28.403 0.00 0.00 SOLV ATOM 24507 H2 TIP3 6171 -16.461 29.630 -29.546 0.00 0.00 SOLV ATOM 24508 OH2 TIP3 6172 -19.259 33.486 -17.914 0.00 0.00 SOLV ATOM 24509 H1 TIP3 6172 -18.362 33.635 -18.115 0.00 0.00 SOLV ATOM 24510 H2 TIP3 6172 -19.586 32.971 -18.675 0.00 0.00 SOLV ATOM 24511 OH2 TIP3 6173 -16.403 26.999 -24.793 0.00 0.00 SOLV ATOM 24512 H1 TIP3 6173 -16.778 27.840 -24.531 0.00 0.00 SOLV ATOM 24513 H2 TIP3 6173 -15.883 26.728 -24.026 0.00 0.00 SOLV ATOM 24514 OH2 TIP3 6174 -24.485 24.506 -7.766 0.00 0.00 SOLV ATOM 24515 H1 TIP3 6174 -25.492 24.586 -7.795 0.00 0.00 SOLV ATOM 24516 H2 TIP3 6174 -24.240 24.867 -8.663 0.00 0.00 SOLV ATOM 24517 OH2 TIP3 6175 -14.294 29.830 -20.884 0.00 0.00 SOLV ATOM 24518 H1 TIP3 6175 -13.772 30.298 -21.528 0.00 0.00 SOLV ATOM 24519 H2 TIP3 6175 -13.947 28.935 -20.955 0.00 0.00 SOLV ATOM 24520 OH2 TIP3 6176 -10.751 32.675 -28.475 0.00 0.00 SOLV ATOM 24521 H1 TIP3 6176 -11.126 33.426 -28.868 0.00 0.00 SOLV ATOM 24522 H2 TIP3 6176 -11.438 32.243 -27.988 0.00 0.00 SOLV ATOM 24523 OH2 TIP3 6177 -15.158 32.065 -15.913 0.00 0.00 SOLV ATOM 24524 H1 TIP3 6177 -15.790 31.753 -16.513 0.00 0.00 SOLV ATOM 24525 H2 TIP3 6177 -15.535 32.979 -15.734 0.00 0.00 SOLV ATOM 24526 OH2 TIP3 6178 -15.496 25.844 7.183 0.00 0.00 SOLV ATOM 24527 H1 TIP3 6178 -16.213 25.253 6.906 0.00 0.00 SOLV ATOM 24528 H2 TIP3 6178 -14.721 25.483 6.714 0.00 0.00 SOLV ATOM 24529 OH2 TIP3 6179 -20.961 28.108 5.211 0.00 0.00 SOLV ATOM 24530 H1 TIP3 6179 -20.098 27.973 5.632 0.00 0.00 SOLV ATOM 24531 H2 TIP3 6179 -21.251 28.972 5.618 0.00 0.00 SOLV ATOM 24532 OH2 TIP3 6180 -15.310 25.855 -12.713 0.00 0.00 SOLV ATOM 24533 H1 TIP3 6180 -15.260 24.953 -12.964 0.00 0.00 SOLV ATOM 24534 H2 TIP3 6180 -14.498 26.227 -12.749 0.00 0.00 SOLV ATOM 24535 OH2 TIP3 6181 -12.821 35.885 -21.378 0.00 0.00 SOLV ATOM 24536 H1 TIP3 6181 -13.583 35.550 -21.733 0.00 0.00 SOLV ATOM 24537 H2 TIP3 6181 -12.531 36.585 -22.058 0.00 0.00 SOLV ATOM 24538 OH2 TIP3 6182 -11.776 22.890 -22.533 0.00 0.00 SOLV ATOM 24539 H1 TIP3 6182 -11.354 23.181 -21.687 0.00 0.00 SOLV ATOM 24540 H2 TIP3 6182 -11.096 23.222 -23.171 0.00 0.00 SOLV ATOM 24541 OH2 TIP3 6183 -8.652 35.165 -13.907 0.00 0.00 SOLV ATOM 24542 H1 TIP3 6183 -8.406 34.393 -13.399 0.00 0.00 SOLV ATOM 24543 H2 TIP3 6183 -8.849 35.746 -13.224 0.00 0.00 SOLV ATOM 24544 OH2 TIP3 6184 -22.866 17.768 -12.951 0.00 0.00 SOLV ATOM 24545 H1 TIP3 6184 -23.115 17.037 -13.488 0.00 0.00 SOLV ATOM 24546 H2 TIP3 6184 -23.156 18.530 -13.486 0.00 0.00 SOLV ATOM 24547 OH2 TIP3 6185 2.986 22.595 3.642 0.00 0.00 SOLV ATOM 24548 H1 TIP3 6185 2.542 22.407 4.466 0.00 0.00 SOLV ATOM 24549 H2 TIP3 6185 2.259 22.861 2.981 0.00 0.00 SOLV ATOM 24550 OH2 TIP3 6186 -22.197 22.395 -26.301 0.00 0.00 SOLV ATOM 24551 H1 TIP3 6186 -21.751 21.648 -25.919 0.00 0.00 SOLV ATOM 24552 H2 TIP3 6186 -21.382 22.986 -26.487 0.00 0.00 SOLV ATOM 24553 OH2 TIP3 6187 -19.830 22.427 -2.828 0.00 0.00 SOLV ATOM 24554 H1 TIP3 6187 -19.954 22.459 -3.813 0.00 0.00 SOLV ATOM 24555 H2 TIP3 6187 -20.345 23.240 -2.663 0.00 0.00 SOLV ATOM 24556 OH2 TIP3 6188 -7.766 17.776 -36.246 0.00 0.00 SOLV ATOM 24557 H1 TIP3 6188 -7.039 17.421 -36.709 0.00 0.00 SOLV ATOM 24558 H2 TIP3 6188 -8.151 18.372 -36.920 0.00 0.00 SOLV ATOM 24559 OH2 TIP3 6189 -23.836 12.881 -1.251 0.00 0.00 SOLV ATOM 24560 H1 TIP3 6189 -23.512 12.719 -0.357 0.00 0.00 SOLV ATOM 24561 H2 TIP3 6189 -24.182 13.834 -1.139 0.00 0.00 SOLV ATOM 24562 OH2 TIP3 6190 -5.259 17.240 -45.213 0.00 0.00 SOLV ATOM 24563 H1 TIP3 6190 -6.195 17.290 -45.459 0.00 0.00 SOLV ATOM 24564 H2 TIP3 6190 -5.052 16.321 -45.007 0.00 0.00 SOLV ATOM 24565 OH2 TIP3 6191 -24.286 21.431 -23.671 0.00 0.00 SOLV ATOM 24566 H1 TIP3 6191 -24.307 20.509 -23.500 0.00 0.00 SOLV ATOM 24567 H2 TIP3 6191 -23.869 21.420 -24.537 0.00 0.00 SOLV ATOM 24568 OH2 TIP3 6192 -24.076 25.406 -20.432 0.00 0.00 SOLV ATOM 24569 H1 TIP3 6192 -23.482 25.052 -19.662 0.00 0.00 SOLV ATOM 24570 H2 TIP3 6192 -24.165 24.640 -21.041 0.00 0.00 SOLV ATOM 24571 OH2 TIP3 6193 -4.539 25.639 0.791 0.00 0.00 SOLV ATOM 24572 H1 TIP3 6193 -3.899 26.230 1.184 0.00 0.00 SOLV ATOM 24573 H2 TIP3 6193 -4.412 25.893 -0.120 0.00 0.00 SOLV ATOM 24574 OH2 TIP3 6194 -20.891 22.017 -18.221 0.00 0.00 SOLV ATOM 24575 H1 TIP3 6194 -19.930 21.787 -18.300 0.00 0.00 SOLV ATOM 24576 H2 TIP3 6194 -21.245 21.559 -18.949 0.00 0.00 SOLV ATOM 24577 OH2 TIP3 6195 -25.609 23.619 -0.107 0.00 0.00 SOLV ATOM 24578 H1 TIP3 6195 -25.400 23.667 -1.079 0.00 0.00 SOLV ATOM 24579 H2 TIP3 6195 -25.004 24.254 0.409 0.00 0.00 SOLV ATOM 24580 OH2 TIP3 6196 -6.345 34.497 2.309 0.00 0.00 SOLV ATOM 24581 H1 TIP3 6196 -6.647 35.099 1.647 0.00 0.00 SOLV ATOM 24582 H2 TIP3 6196 -5.408 34.438 2.116 0.00 0.00 SOLV ATOM 24583 OH2 TIP3 6197 -22.267 21.640 -0.366 0.00 0.00 SOLV ATOM 24584 H1 TIP3 6197 -22.717 22.256 -0.942 0.00 0.00 SOLV ATOM 24585 H2 TIP3 6197 -22.025 20.913 -0.974 0.00 0.00 SOLV ATOM 24586 OH2 TIP3 6198 -8.049 22.073 -38.591 0.00 0.00 SOLV ATOM 24587 H1 TIP3 6198 -8.796 22.357 -38.012 0.00 0.00 SOLV ATOM 24588 H2 TIP3 6198 -8.268 22.267 -39.551 0.00 0.00 SOLV ATOM 24589 OH2 TIP3 6199 -7.064 18.250 -40.122 0.00 0.00 SOLV ATOM 24590 H1 TIP3 6199 -7.012 18.848 -40.901 0.00 0.00 SOLV ATOM 24591 H2 TIP3 6199 -7.820 17.617 -40.269 0.00 0.00 SOLV ATOM 24592 OH2 TIP3 6200 -12.975 30.198 -28.912 0.00 0.00 SOLV ATOM 24593 H1 TIP3 6200 -12.296 30.601 -29.391 0.00 0.00 SOLV ATOM 24594 H2 TIP3 6200 -13.811 30.608 -29.257 0.00 0.00 SOLV ATOM 24595 OH2 TIP3 6201 -20.669 23.990 -22.030 0.00 0.00 SOLV ATOM 24596 H1 TIP3 6201 -21.596 24.158 -22.263 0.00 0.00 SOLV ATOM 24597 H2 TIP3 6201 -20.203 23.670 -22.829 0.00 0.00 SOLV ATOM 24598 OH2 TIP3 6202 -26.424 21.540 -14.985 0.00 0.00 SOLV ATOM 24599 H1 TIP3 6202 -26.701 20.677 -15.415 0.00 0.00 SOLV ATOM 24600 H2 TIP3 6202 -25.741 21.849 -15.547 0.00 0.00 SOLV ATOM 24601 OH2 TIP3 6203 -21.921 31.808 -17.500 0.00 0.00 SOLV ATOM 24602 H1 TIP3 6203 -21.706 31.652 -18.403 0.00 0.00 SOLV ATOM 24603 H2 TIP3 6203 -21.828 32.763 -17.307 0.00 0.00 SOLV ATOM 24604 OH2 TIP3 6204 -20.941 17.391 -22.246 0.00 0.00 SOLV ATOM 24605 H1 TIP3 6204 -21.305 17.260 -21.367 0.00 0.00 SOLV ATOM 24606 H2 TIP3 6204 -21.545 16.844 -22.748 0.00 0.00 SOLV ATOM 24607 OH2 TIP3 6205 -19.224 31.908 0.050 0.00 0.00 SOLV ATOM 24608 H1 TIP3 6205 -19.802 32.633 0.324 0.00 0.00 SOLV ATOM 24609 H2 TIP3 6205 -18.613 31.866 0.766 0.00 0.00 SOLV ATOM 24610 OH2 TIP3 6206 -23.949 17.910 -27.467 0.00 0.00 SOLV ATOM 24611 H1 TIP3 6206 -23.514 18.140 -28.332 0.00 0.00 SOLV ATOM 24612 H2 TIP3 6206 -24.722 17.346 -27.763 0.00 0.00 SOLV ATOM 24613 OH2 TIP3 6207 -8.346 20.111 -33.404 0.00 0.00 SOLV ATOM 24614 H1 TIP3 6207 -8.120 20.303 -32.487 0.00 0.00 SOLV ATOM 24615 H2 TIP3 6207 -8.256 19.177 -33.499 0.00 0.00 SOLV ATOM 24616 OH2 TIP3 6208 2.573 31.268 -18.231 0.00 0.00 SOLV ATOM 24617 H1 TIP3 6208 2.604 31.892 -17.428 0.00 0.00 SOLV ATOM 24618 H2 TIP3 6208 1.806 31.433 -18.611 0.00 0.00 SOLV ATOM 24619 OH2 TIP3 6209 0.361 17.595 -26.830 0.00 0.00 SOLV ATOM 24620 H1 TIP3 6209 0.664 17.252 -25.928 0.00 0.00 SOLV ATOM 24621 H2 TIP3 6209 0.691 16.894 -27.443 0.00 0.00 SOLV ATOM 24622 OH2 TIP3 6210 -27.756 21.881 -11.392 0.00 0.00 SOLV ATOM 24623 H1 TIP3 6210 -27.934 21.042 -11.883 0.00 0.00 SOLV ATOM 24624 H2 TIP3 6210 -28.635 22.324 -11.448 0.00 0.00 SOLV ATOM 24625 OH2 TIP3 6211 8.266 11.587 -9.518 0.00 0.00 SOLV ATOM 24626 H1 TIP3 6211 7.925 10.627 -9.621 0.00 0.00 SOLV ATOM 24627 H2 TIP3 6211 8.105 11.959 -10.421 0.00 0.00 SOLV ATOM 24628 OH2 TIP3 6212 -26.995 24.199 -4.428 0.00 0.00 SOLV ATOM 24629 H1 TIP3 6212 -26.617 23.317 -4.628 0.00 0.00 SOLV ATOM 24630 H2 TIP3 6212 -27.808 24.204 -4.960 0.00 0.00 SOLV ATOM 24631 OH2 TIP3 6213 -27.615 10.137 20.642 0.00 0.00 SOLV ATOM 24632 H1 TIP3 6213 -28.017 9.286 20.826 0.00 0.00 SOLV ATOM 24633 H2 TIP3 6213 -26.892 10.085 21.270 0.00 0.00 SOLV ATOM 24634 OH2 TIP3 6214 -23.456 23.672 -22.572 0.00 0.00 SOLV ATOM 24635 H1 TIP3 6214 -23.917 24.337 -23.063 0.00 0.00 SOLV ATOM 24636 H2 TIP3 6214 -23.819 22.844 -22.963 0.00 0.00 SOLV ATOM 24637 OH2 TIP3 6215 11.561 18.052 -17.285 0.00 0.00 SOLV ATOM 24638 H1 TIP3 6215 12.276 17.683 -16.669 0.00 0.00 SOLV ATOM 24639 H2 TIP3 6215 12.071 18.648 -17.841 0.00 0.00 SOLV ATOM 24640 OH2 TIP3 6216 -21.926 27.254 -5.518 0.00 0.00 SOLV ATOM 24641 H1 TIP3 6216 -22.798 26.870 -5.336 0.00 0.00 SOLV ATOM 24642 H2 TIP3 6216 -22.105 28.175 -5.301 0.00 0.00 SOLV ATOM 24643 OH2 TIP3 6217 -20.392 23.615 1.162 0.00 0.00 SOLV ATOM 24644 H1 TIP3 6217 -19.612 24.038 0.746 0.00 0.00 SOLV ATOM 24645 H2 TIP3 6217 -20.565 22.894 0.545 0.00 0.00 SOLV ATOM 24646 OH2 TIP3 6218 -23.626 24.661 4.045 0.00 0.00 SOLV ATOM 24647 H1 TIP3 6218 -23.608 25.469 4.650 0.00 0.00 SOLV ATOM 24648 H2 TIP3 6218 -24.158 23.952 4.453 0.00 0.00 SOLV ATOM 24649 OH2 TIP3 6219 -16.056 31.388 4.944 0.00 0.00 SOLV ATOM 24650 H1 TIP3 6219 -16.970 31.166 5.060 0.00 0.00 SOLV ATOM 24651 H2 TIP3 6219 -15.567 30.588 4.820 0.00 0.00 SOLV ATOM 24652 OH2 TIP3 6220 -5.892 21.589 0.672 0.00 0.00 SOLV ATOM 24653 H1 TIP3 6220 -5.177 21.977 1.176 0.00 0.00 SOLV ATOM 24654 H2 TIP3 6220 -6.461 22.335 0.336 0.00 0.00 SOLV ATOM 24655 OH2 TIP3 6221 -22.079 30.859 -14.371 0.00 0.00 SOLV ATOM 24656 H1 TIP3 6221 -23.080 30.617 -14.428 0.00 0.00 SOLV ATOM 24657 H2 TIP3 6221 -21.850 30.875 -15.295 0.00 0.00 SOLV ATOM 24658 OH2 TIP3 6222 -24.975 27.175 -1.706 0.00 0.00 SOLV ATOM 24659 H1 TIP3 6222 -24.670 27.534 -0.836 0.00 0.00 SOLV ATOM 24660 H2 TIP3 6222 -25.000 27.965 -2.239 0.00 0.00 SOLV ATOM 24661 OH2 TIP3 6223 -23.372 22.091 -4.316 0.00 0.00 SOLV ATOM 24662 H1 TIP3 6223 -23.045 22.427 -5.141 0.00 0.00 SOLV ATOM 24663 H2 TIP3 6223 -22.856 22.656 -3.602 0.00 0.00 SOLV ATOM 24664 OH2 TIP3 6224 -23.563 24.656 1.398 0.00 0.00 SOLV ATOM 24665 H1 TIP3 6224 -23.779 24.546 2.366 0.00 0.00 SOLV ATOM 24666 H2 TIP3 6224 -22.662 24.327 1.357 0.00 0.00 SOLV ATOM 24667 OH2 TIP3 6225 -19.268 26.019 6.529 0.00 0.00 SOLV ATOM 24668 H1 TIP3 6225 -18.567 25.386 6.686 0.00 0.00 SOLV ATOM 24669 H2 TIP3 6225 -20.069 25.672 6.969 0.00 0.00 SOLV ATOM 24670 OH2 TIP3 6226 -27.487 24.559 1.473 0.00 0.00 SOLV ATOM 24671 H1 TIP3 6226 -28.255 25.119 1.226 0.00 0.00 SOLV ATOM 24672 H2 TIP3 6226 -26.984 24.463 0.649 0.00 0.00 SOLV ATOM 24673 OH2 TIP3 6227 -12.488 28.416 -31.667 0.00 0.00 SOLV ATOM 24674 H1 TIP3 6227 -11.901 29.241 -31.887 0.00 0.00 SOLV ATOM 24675 H2 TIP3 6227 -13.463 28.664 -31.832 0.00 0.00 SOLV ATOM 24676 OH2 TIP3 6228 22.009 20.625 -30.451 0.00 0.00 SOLV ATOM 24677 H1 TIP3 6228 21.717 20.944 -31.368 0.00 0.00 SOLV ATOM 24678 H2 TIP3 6228 21.843 19.669 -30.437 0.00 0.00 SOLV ATOM 24679 OH2 TIP3 6229 23.334 24.678 -7.696 0.00 0.00 SOLV ATOM 24680 H1 TIP3 6229 22.501 25.247 -7.624 0.00 0.00 SOLV ATOM 24681 H2 TIP3 6229 23.763 25.083 -8.510 0.00 0.00 SOLV ATOM 24682 OH2 TIP3 6230 -21.008 19.977 -2.158 0.00 0.00 SOLV ATOM 24683 H1 TIP3 6230 -21.209 19.286 -2.840 0.00 0.00 SOLV ATOM 24684 H2 TIP3 6230 -20.716 20.716 -2.662 0.00 0.00 SOLV ATOM 24685 OH2 TIP3 6231 -22.127 29.323 -3.284 0.00 0.00 SOLV ATOM 24686 H1 TIP3 6231 -21.735 30.201 -3.513 0.00 0.00 SOLV ATOM 24687 H2 TIP3 6231 -21.435 28.837 -2.771 0.00 0.00 SOLV ATOM 24688 OH2 TIP3 6232 -12.298 27.742 -4.321 0.00 0.00 SOLV ATOM 24689 H1 TIP3 6232 -11.366 28.155 -4.427 0.00 0.00 SOLV ATOM 24690 H2 TIP3 6232 -12.759 28.321 -3.695 0.00 0.00 SOLV ATOM 24691 OH2 TIP3 6233 -19.765 29.236 -0.374 0.00 0.00 SOLV ATOM 24692 H1 TIP3 6233 -20.756 29.295 -0.268 0.00 0.00 SOLV ATOM 24693 H2 TIP3 6233 -19.546 30.148 -0.531 0.00 0.00 SOLV ATOM 24694 OH2 TIP3 6234 -17.810 23.982 3.394 0.00 0.00 SOLV ATOM 24695 H1 TIP3 6234 -18.114 24.457 2.601 0.00 0.00 SOLV ATOM 24696 H2 TIP3 6234 -18.471 23.383 3.706 0.00 0.00 SOLV ATOM 24697 OH2 TIP3 6235 -24.935 18.581 1.977 0.00 0.00 SOLV ATOM 24698 H1 TIP3 6235 -24.538 17.878 1.445 0.00 0.00 SOLV ATOM 24699 H2 TIP3 6235 -24.402 19.396 1.734 0.00 0.00 SOLV ATOM 24700 OH2 TIP3 6236 -16.052 25.862 -17.476 0.00 0.00 SOLV ATOM 24701 H1 TIP3 6236 -16.616 26.454 -16.898 0.00 0.00 SOLV ATOM 24702 H2 TIP3 6236 -16.200 26.352 -18.319 0.00 0.00 SOLV ATOM 24703 OH2 TIP3 6237 -8.993 -6.934 -34.863 0.00 0.00 SOLV ATOM 24704 H1 TIP3 6237 -8.514 -7.111 -35.645 0.00 0.00 SOLV ATOM 24705 H2 TIP3 6237 -8.486 -6.115 -34.574 0.00 0.00 SOLV ATOM 24706 OH2 TIP3 6238 -22.660 27.803 -24.005 0.00 0.00 SOLV ATOM 24707 H1 TIP3 6238 -23.470 27.619 -24.547 0.00 0.00 SOLV ATOM 24708 H2 TIP3 6238 -21.929 27.308 -24.441 0.00 0.00 SOLV ATOM 24709 OH2 TIP3 6239 -11.060 18.532 8.133 0.00 0.00 SOLV ATOM 24710 H1 TIP3 6239 -11.687 19.185 8.472 0.00 0.00 SOLV ATOM 24711 H2 TIP3 6239 -10.958 18.760 7.217 0.00 0.00 SOLV ATOM 24712 OH2 TIP3 6240 -23.985 20.847 -16.122 0.00 0.00 SOLV ATOM 24713 H1 TIP3 6240 -24.014 21.157 -17.048 0.00 0.00 SOLV ATOM 24714 H2 TIP3 6240 -23.456 20.049 -16.237 0.00 0.00 SOLV ATOM 24715 OH2 TIP3 6241 -21.078 -6.851 0.971 0.00 0.00 SOLV ATOM 24716 H1 TIP3 6241 -20.176 -7.021 0.527 0.00 0.00 SOLV ATOM 24717 H2 TIP3 6241 -21.624 -6.583 0.244 0.00 0.00 SOLV ATOM 24718 OH2 TIP3 6242 -29.817 18.135 0.659 0.00 0.00 SOLV ATOM 24719 H1 TIP3 6242 -29.077 18.628 1.057 0.00 0.00 SOLV ATOM 24720 H2 TIP3 6242 -29.771 18.378 -0.257 0.00 0.00 SOLV ATOM 24721 OH2 TIP3 6243 -15.497 18.843 -28.645 0.00 0.00 SOLV ATOM 24722 H1 TIP3 6243 -15.185 18.942 -27.735 0.00 0.00 SOLV ATOM 24723 H2 TIP3 6243 -15.730 19.761 -28.832 0.00 0.00 SOLV ATOM 24724 OH2 TIP3 6244 -21.828 28.513 -17.187 0.00 0.00 SOLV ATOM 24725 H1 TIP3 6244 -21.378 27.650 -17.159 0.00 0.00 SOLV ATOM 24726 H2 TIP3 6244 -21.175 29.147 -16.858 0.00 0.00 SOLV ATOM 24727 OH2 TIP3 6245 -19.071 29.631 -14.186 0.00 0.00 SOLV ATOM 24728 H1 TIP3 6245 -18.184 29.204 -14.276 0.00 0.00 SOLV ATOM 24729 H2 TIP3 6245 -18.966 30.460 -14.800 0.00 0.00 SOLV ATOM 24730 OH2 TIP3 6246 -17.882 5.495 -2.975 0.00 0.00 SOLV ATOM 24731 H1 TIP3 6246 -18.523 5.296 -3.694 0.00 0.00 SOLV ATOM 24732 H2 TIP3 6246 -17.536 6.381 -3.137 0.00 0.00 SOLV ATOM 24733 OH2 TIP3 6247 -27.444 19.253 1.532 0.00 0.00 SOLV ATOM 24734 H1 TIP3 6247 -27.299 19.712 0.686 0.00 0.00 SOLV ATOM 24735 H2 TIP3 6247 -26.593 18.926 1.843 0.00 0.00 SOLV ATOM 24736 OH2 TIP3 6248 0.803 7.081 7.846 0.00 0.00 SOLV ATOM 24737 H1 TIP3 6248 0.012 6.706 8.234 0.00 0.00 SOLV ATOM 24738 H2 TIP3 6248 1.331 6.274 7.693 0.00 0.00 SOLV ATOM 24739 OH2 TIP3 6249 -20.981 16.564 -27.378 0.00 0.00 SOLV ATOM 24740 H1 TIP3 6249 -20.067 16.475 -27.119 0.00 0.00 SOLV ATOM 24741 H2 TIP3 6249 -21.390 15.841 -26.918 0.00 0.00 SOLV ATOM 24742 OH2 TIP3 6250 -20.425 25.659 -16.663 0.00 0.00 SOLV ATOM 24743 H1 TIP3 6250 -20.400 25.753 -15.698 0.00 0.00 SOLV ATOM 24744 H2 TIP3 6250 -19.666 25.037 -16.767 0.00 0.00 SOLV ATOM 24745 OH2 TIP3 6251 -17.563 22.140 -8.646 0.00 0.00 SOLV ATOM 24746 H1 TIP3 6251 -18.064 22.834 -8.218 0.00 0.00 SOLV ATOM 24747 H2 TIP3 6251 -16.784 22.032 -8.108 0.00 0.00 SOLV ATOM 24748 OH2 TIP3 6252 -18.553 18.607 -1.107 0.00 0.00 SOLV ATOM 24749 H1 TIP3 6252 -19.503 18.387 -0.968 0.00 0.00 SOLV ATOM 24750 H2 TIP3 6252 -18.367 19.257 -0.408 0.00 0.00 SOLV ATOM 24751 OH2 TIP3 6253 -12.990 33.287 0.515 0.00 0.00 SOLV ATOM 24752 H1 TIP3 6253 -13.875 33.493 0.137 0.00 0.00 SOLV ATOM 24753 H2 TIP3 6253 -13.154 33.215 1.458 0.00 0.00 SOLV ATOM 24754 OH2 TIP3 6254 12.997 -11.663 -14.609 0.00 0.00 SOLV ATOM 24755 H1 TIP3 6254 13.539 -12.450 -14.302 0.00 0.00 SOLV ATOM 24756 H2 TIP3 6254 13.605 -10.930 -14.477 0.00 0.00 SOLV ATOM 24757 OH2 TIP3 6255 -11.869 18.685 -32.978 0.00 0.00 SOLV ATOM 24758 H1 TIP3 6255 -12.497 18.870 -32.250 0.00 0.00 SOLV ATOM 24759 H2 TIP3 6255 -12.474 18.337 -33.666 0.00 0.00 SOLV ATOM 24760 OH2 TIP3 6256 -3.777 29.782 -16.562 0.00 0.00 SOLV ATOM 24761 H1 TIP3 6256 -4.737 29.855 -16.891 0.00 0.00 SOLV ATOM 24762 H2 TIP3 6256 -3.748 30.274 -15.761 0.00 0.00 SOLV ATOM 24763 OH2 TIP3 6257 1.655 22.178 9.128 0.00 0.00 SOLV ATOM 24764 H1 TIP3 6257 1.013 22.105 9.830 0.00 0.00 SOLV ATOM 24765 H2 TIP3 6257 2.293 22.759 9.442 0.00 0.00 SOLV ATOM 24766 OH2 TIP3 6258 -19.903 21.976 -5.816 0.00 0.00 SOLV ATOM 24767 H1 TIP3 6258 -20.700 22.431 -6.208 0.00 0.00 SOLV ATOM 24768 H2 TIP3 6258 -19.117 22.497 -6.032 0.00 0.00 SOLV ATOM 24769 OH2 TIP3 6259 -21.274 11.572 -5.670 0.00 0.00 SOLV ATOM 24770 H1 TIP3 6259 -21.620 10.938 -5.033 0.00 0.00 SOLV ATOM 24771 H2 TIP3 6259 -21.560 12.389 -5.331 0.00 0.00 SOLV ATOM 24772 OH2 TIP3 6260 -17.911 24.521 -0.711 0.00 0.00 SOLV ATOM 24773 H1 TIP3 6260 -17.463 23.599 -0.817 0.00 0.00 SOLV ATOM 24774 H2 TIP3 6260 -17.179 25.001 -0.343 0.00 0.00 SOLV ATOM 24775 OH2 TIP3 6261 9.429 25.588 -20.941 0.00 0.00 SOLV ATOM 24776 H1 TIP3 6261 9.764 25.998 -21.699 0.00 0.00 SOLV ATOM 24777 H2 TIP3 6261 9.341 24.668 -21.266 0.00 0.00 SOLV ATOM 24778 OH2 TIP3 6262 -18.381 28.968 7.105 0.00 0.00 SOLV ATOM 24779 H1 TIP3 6262 -18.393 28.694 7.970 0.00 0.00 SOLV ATOM 24780 H2 TIP3 6262 -17.796 28.351 6.639 0.00 0.00 SOLV ATOM 24781 OH2 TIP3 6263 -2.754 30.097 -34.676 0.00 0.00 SOLV ATOM 24782 H1 TIP3 6263 -1.844 30.372 -34.990 0.00 0.00 SOLV ATOM 24783 H2 TIP3 6263 -3.172 29.788 -35.497 0.00 0.00 SOLV ATOM 24784 OH2 TIP3 6264 -21.094 19.185 -28.442 0.00 0.00 SOLV ATOM 24785 H1 TIP3 6264 -21.018 18.421 -27.921 0.00 0.00 SOLV ATOM 24786 H2 TIP3 6264 -21.835 18.978 -29.076 0.00 0.00 SOLV ATOM 24787 OH2 TIP3 6265 -23.039 12.150 -9.634 0.00 0.00 SOLV ATOM 24788 H1 TIP3 6265 -23.915 12.375 -9.242 0.00 0.00 SOLV ATOM 24789 H2 TIP3 6265 -22.393 12.738 -9.075 0.00 0.00 SOLV ATOM 24790 OH2 TIP3 6266 -13.909 23.179 -24.404 0.00 0.00 SOLV ATOM 24791 H1 TIP3 6266 -13.324 23.041 -23.606 0.00 0.00 SOLV ATOM 24792 H2 TIP3 6266 -14.814 23.434 -23.967 0.00 0.00 SOLV ATOM 24793 OH2 TIP3 6267 -23.406 19.963 -18.941 0.00 0.00 SOLV ATOM 24794 H1 TIP3 6267 -24.370 20.003 -19.070 0.00 0.00 SOLV ATOM 24795 H2 TIP3 6267 -23.110 20.661 -19.523 0.00 0.00 SOLV ATOM 24796 OH2 TIP3 6268 -17.386 14.173 22.949 0.00 0.00 SOLV ATOM 24797 H1 TIP3 6268 -17.049 15.012 23.264 0.00 0.00 SOLV ATOM 24798 H2 TIP3 6268 -18.304 14.214 23.160 0.00 0.00 SOLV ATOM 24799 OH2 TIP3 6269 9.396 13.284 7.518 0.00 0.00 SOLV ATOM 24800 H1 TIP3 6269 10.177 12.752 7.250 0.00 0.00 SOLV ATOM 24801 H2 TIP3 6269 9.771 14.086 7.957 0.00 0.00 SOLV ATOM 24802 OH2 TIP3 6270 -16.466 16.571 -9.173 0.00 0.00 SOLV ATOM 24803 H1 TIP3 6270 -17.014 16.573 -8.317 0.00 0.00 SOLV ATOM 24804 H2 TIP3 6270 -15.667 17.041 -8.937 0.00 0.00 SOLV ATOM 24805 OH2 TIP3 6271 -25.403 22.872 5.365 0.00 0.00 SOLV ATOM 24806 H1 TIP3 6271 -26.057 22.787 4.632 0.00 0.00 SOLV ATOM 24807 H2 TIP3 6271 -25.219 21.954 5.568 0.00 0.00 SOLV ATOM 24808 OH2 TIP3 6272 -12.017 31.836 -22.443 0.00 0.00 SOLV ATOM 24809 H1 TIP3 6272 -11.268 32.337 -22.740 0.00 0.00 SOLV ATOM 24810 H2 TIP3 6272 -12.728 32.474 -22.577 0.00 0.00 SOLV ATOM 24811 OH2 TIP3 6273 -13.404 17.088 -34.613 0.00 0.00 SOLV ATOM 24812 H1 TIP3 6273 -13.581 17.543 -35.467 0.00 0.00 SOLV ATOM 24813 H2 TIP3 6273 -12.896 16.343 -34.964 0.00 0.00 SOLV ATOM 24814 OH2 TIP3 6274 -14.898 11.300 -20.282 0.00 0.00 SOLV ATOM 24815 H1 TIP3 6274 -15.256 10.916 -21.082 0.00 0.00 SOLV ATOM 24816 H2 TIP3 6274 -13.926 11.425 -20.463 0.00 0.00 SOLV ATOM 24817 OH2 TIP3 6275 -21.117 28.634 -12.906 0.00 0.00 SOLV ATOM 24818 H1 TIP3 6275 -21.632 29.434 -13.160 0.00 0.00 SOLV ATOM 24819 H2 TIP3 6275 -20.295 28.811 -13.336 0.00 0.00 SOLV ATOM 24820 OH2 TIP3 6276 -23.365 26.861 -12.475 0.00 0.00 SOLV ATOM 24821 H1 TIP3 6276 -23.668 26.545 -13.379 0.00 0.00 SOLV ATOM 24822 H2 TIP3 6276 -22.597 27.476 -12.542 0.00 0.00 SOLV ATOM 24823 OH2 TIP3 6277 -20.726 26.869 -1.683 0.00 0.00 SOLV ATOM 24824 H1 TIP3 6277 -20.771 27.510 -0.879 0.00 0.00 SOLV ATOM 24825 H2 TIP3 6277 -19.779 26.994 -1.888 0.00 0.00 SOLV ATOM 24826 OH2 TIP3 6278 -15.264 28.080 -8.950 0.00 0.00 SOLV ATOM 24827 H1 TIP3 6278 -15.166 27.205 -8.447 0.00 0.00 SOLV ATOM 24828 H2 TIP3 6278 -15.956 28.497 -8.443 0.00 0.00 SOLV ATOM 24829 OH2 TIP3 6279 -10.581 34.299 -21.163 0.00 0.00 SOLV ATOM 24830 H1 TIP3 6279 -10.732 33.903 -20.288 0.00 0.00 SOLV ATOM 24831 H2 TIP3 6279 -11.369 34.868 -21.240 0.00 0.00 SOLV ATOM 24832 OH2 TIP3 6280 -18.662 24.823 -25.324 0.00 0.00 SOLV ATOM 24833 H1 TIP3 6280 -18.504 23.964 -24.818 0.00 0.00 SOLV ATOM 24834 H2 TIP3 6280 -17.965 25.390 -25.037 0.00 0.00 SOLV ATOM 24835 OH2 TIP3 6281 -23.795 2.858 18.746 0.00 0.00 SOLV ATOM 24836 H1 TIP3 6281 -24.484 3.258 18.152 0.00 0.00 SOLV ATOM 24837 H2 TIP3 6281 -23.776 3.527 19.407 0.00 0.00 SOLV ATOM 24838 OH2 TIP3 6282 -9.955 22.039 -2.255 0.00 0.00 SOLV ATOM 24839 H1 TIP3 6282 -10.814 21.614 -2.490 0.00 0.00 SOLV ATOM 24840 H2 TIP3 6282 -10.264 22.880 -1.861 0.00 0.00 SOLV ATOM 24841 OH2 TIP3 6283 -20.801 24.819 4.319 0.00 0.00 SOLV ATOM 24842 H1 TIP3 6283 -21.743 24.774 4.335 0.00 0.00 SOLV ATOM 24843 H2 TIP3 6283 -20.600 25.206 5.137 0.00 0.00 SOLV ATOM 24844 OH2 TIP3 6284 -9.629 36.912 -25.724 0.00 0.00 SOLV ATOM 24845 H1 TIP3 6284 -10.281 36.729 -26.400 0.00 0.00 SOLV ATOM 24846 H2 TIP3 6284 -8.989 37.458 -26.133 0.00 0.00 SOLV ATOM 24847 OH2 TIP3 6285 -13.795 33.715 -23.949 0.00 0.00 SOLV ATOM 24848 H1 TIP3 6285 -14.172 34.441 -23.401 0.00 0.00 SOLV ATOM 24849 H2 TIP3 6285 -14.569 33.452 -24.531 0.00 0.00 SOLV ATOM 24850 OH2 TIP3 6286 -17.969 33.483 -4.001 0.00 0.00 SOLV ATOM 24851 H1 TIP3 6286 -18.288 32.875 -4.701 0.00 0.00 SOLV ATOM 24852 H2 TIP3 6286 -18.766 34.080 -3.847 0.00 0.00 SOLV ATOM 24853 OH2 TIP3 6287 -10.507 27.360 -14.225 0.00 0.00 SOLV ATOM 24854 H1 TIP3 6287 -11.464 27.373 -14.125 0.00 0.00 SOLV ATOM 24855 H2 TIP3 6287 -10.101 27.159 -13.421 0.00 0.00 SOLV ATOM 24856 OH2 TIP3 6288 -19.056 26.990 -18.613 0.00 0.00 SOLV ATOM 24857 H1 TIP3 6288 -19.630 26.513 -18.026 0.00 0.00 SOLV ATOM 24858 H2 TIP3 6288 -18.934 26.372 -19.375 0.00 0.00 SOLV ATOM 24859 OH2 TIP3 6289 -3.407 33.260 -20.803 0.00 0.00 SOLV ATOM 24860 H1 TIP3 6289 -4.004 33.604 -20.168 0.00 0.00 SOLV ATOM 24861 H2 TIP3 6289 -2.615 33.674 -20.619 0.00 0.00 SOLV ATOM 24862 OH2 TIP3 6290 0.395 31.122 -4.620 0.00 0.00 SOLV ATOM 24863 H1 TIP3 6290 0.996 30.412 -4.875 0.00 0.00 SOLV ATOM 24864 H2 TIP3 6290 1.008 31.820 -4.786 0.00 0.00 SOLV ATOM 24865 OH2 TIP3 6291 -18.319 32.624 2.499 0.00 0.00 SOLV ATOM 24866 H1 TIP3 6291 -18.323 31.890 3.087 0.00 0.00 SOLV ATOM 24867 H2 TIP3 6291 -18.870 33.347 2.962 0.00 0.00 SOLV ATOM 24868 OH2 TIP3 6292 -21.780 32.093 -22.521 0.00 0.00 SOLV ATOM 24869 H1 TIP3 6292 -21.321 31.490 -23.103 0.00 0.00 SOLV ATOM 24870 H2 TIP3 6292 -22.641 31.811 -22.561 0.00 0.00 SOLV ATOM 24871 OH2 TIP3 6293 -5.810 33.113 5.147 0.00 0.00 SOLV ATOM 24872 H1 TIP3 6293 -5.406 32.236 5.205 0.00 0.00 SOLV ATOM 24873 H2 TIP3 6293 -6.221 33.111 4.246 0.00 0.00 SOLV ATOM 24874 OH2 TIP3 6294 -8.299 38.722 -19.693 0.00 0.00 SOLV ATOM 24875 H1 TIP3 6294 -8.886 38.174 -19.156 0.00 0.00 SOLV ATOM 24876 H2 TIP3 6294 -7.490 38.144 -19.779 0.00 0.00 SOLV ATOM 24877 OH2 TIP3 6295 -4.325 36.568 -10.032 0.00 0.00 SOLV ATOM 24878 H1 TIP3 6295 -4.745 37.440 -9.905 0.00 0.00 SOLV ATOM 24879 H2 TIP3 6295 -5.027 35.867 -10.069 0.00 0.00 SOLV ATOM 24880 OH2 TIP3 6296 -18.250 11.947 -6.434 0.00 0.00 SOLV ATOM 24881 H1 TIP3 6296 -18.228 12.700 -5.873 0.00 0.00 SOLV ATOM 24882 H2 TIP3 6296 -19.134 11.879 -6.634 0.00 0.00 SOLV ATOM 24883 OH2 TIP3 6297 -13.809 30.742 -6.804 0.00 0.00 SOLV ATOM 24884 H1 TIP3 6297 -12.894 30.448 -6.555 0.00 0.00 SOLV ATOM 24885 H2 TIP3 6297 -14.345 30.680 -5.952 0.00 0.00 SOLV ATOM 24886 OH2 TIP3 6298 -17.364 18.538 -24.750 0.00 0.00 SOLV ATOM 24887 H1 TIP3 6298 -17.280 17.964 -23.973 0.00 0.00 SOLV ATOM 24888 H2 TIP3 6298 -18.255 18.823 -24.748 0.00 0.00 SOLV ATOM 24889 OH2 TIP3 6299 -23.297 19.858 -9.220 0.00 0.00 SOLV ATOM 24890 H1 TIP3 6299 -22.806 20.147 -9.977 0.00 0.00 SOLV ATOM 24891 H2 TIP3 6299 -24.195 20.183 -9.430 0.00 0.00 SOLV ATOM 24892 OH2 TIP3 6300 -13.338 17.825 -26.644 0.00 0.00 SOLV ATOM 24893 H1 TIP3 6300 -12.844 17.970 -27.495 0.00 0.00 SOLV ATOM 24894 H2 TIP3 6300 -12.601 17.952 -25.980 0.00 0.00 SOLV ATOM 24895 OH2 TIP3 6301 -10.063 16.959 -34.742 0.00 0.00 SOLV ATOM 24896 H1 TIP3 6301 -9.439 17.500 -35.160 0.00 0.00 SOLV ATOM 24897 H2 TIP3 6301 -10.254 17.408 -33.893 0.00 0.00 SOLV ATOM 24898 OH2 TIP3 6302 -22.365 21.859 -20.516 0.00 0.00 SOLV ATOM 24899 H1 TIP3 6302 -21.699 22.560 -20.623 0.00 0.00 SOLV ATOM 24900 H2 TIP3 6302 -23.066 22.198 -21.054 0.00 0.00 SOLV ATOM 24901 OH2 TIP3 6303 -28.084 19.458 -13.072 0.00 0.00 SOLV ATOM 24902 H1 TIP3 6303 -28.657 19.629 -13.838 0.00 0.00 SOLV ATOM 24903 H2 TIP3 6303 -28.702 18.940 -12.541 0.00 0.00 SOLV ATOM 24904 OH2 TIP3 6304 13.129 7.417 4.747 0.00 0.00 SOLV ATOM 24905 H1 TIP3 6304 13.518 6.552 4.727 0.00 0.00 SOLV ATOM 24906 H2 TIP3 6304 12.177 7.216 4.814 0.00 0.00 SOLV ATOM 24907 OH2 TIP3 6305 -24.073 20.998 6.541 0.00 0.00 SOLV ATOM 24908 H1 TIP3 6305 -24.128 20.595 7.439 0.00 0.00 SOLV ATOM 24909 H2 TIP3 6305 -24.278 20.212 5.954 0.00 0.00 SOLV ATOM 24910 OH2 TIP3 6306 -23.012 17.010 -16.961 0.00 0.00 SOLV ATOM 24911 H1 TIP3 6306 -22.598 17.346 -17.765 0.00 0.00 SOLV ATOM 24912 H2 TIP3 6306 -22.733 17.647 -16.225 0.00 0.00 SOLV ATOM 24913 OH2 TIP3 6307 -23.266 17.514 -5.564 0.00 0.00 SOLV ATOM 24914 H1 TIP3 6307 -23.459 16.564 -5.622 0.00 0.00 SOLV ATOM 24915 H2 TIP3 6307 -22.426 17.525 -5.121 0.00 0.00 SOLV ATOM 24916 OH2 TIP3 6308 -22.498 21.339 -11.517 0.00 0.00 SOLV ATOM 24917 H1 TIP3 6308 -21.817 21.995 -11.455 0.00 0.00 SOLV ATOM 24918 H2 TIP3 6308 -23.079 21.650 -12.189 0.00 0.00 SOLV ATOM 24919 OH2 TIP3 6309 -23.885 18.280 -1.651 0.00 0.00 SOLV ATOM 24920 H1 TIP3 6309 -23.023 18.588 -1.547 0.00 0.00 SOLV ATOM 24921 H2 TIP3 6309 -23.766 17.330 -1.753 0.00 0.00 SOLV ATOM 24922 OH2 TIP3 6310 -0.942 25.852 3.782 0.00 0.00 SOLV ATOM 24923 H1 TIP3 6310 -0.888 25.558 2.871 0.00 0.00 SOLV ATOM 24924 H2 TIP3 6310 -0.830 26.843 3.712 0.00 0.00 SOLV ATOM 24925 OH2 TIP3 6311 -11.432 26.944 -26.685 0.00 0.00 SOLV ATOM 24926 H1 TIP3 6311 -11.240 27.186 -27.595 0.00 0.00 SOLV ATOM 24927 H2 TIP3 6311 -11.952 26.112 -26.730 0.00 0.00 SOLV ATOM 24928 OH2 TIP3 6312 -18.284 23.892 -17.429 0.00 0.00 SOLV ATOM 24929 H1 TIP3 6312 -18.541 24.011 -18.371 0.00 0.00 SOLV ATOM 24930 H2 TIP3 6312 -17.364 24.216 -17.434 0.00 0.00 SOLV ATOM 24931 OH2 TIP3 6313 -8.631 21.695 -27.853 0.00 0.00 SOLV ATOM 24932 H1 TIP3 6313 -9.068 22.441 -28.265 0.00 0.00 SOLV ATOM 24933 H2 TIP3 6313 -7.702 21.796 -28.161 0.00 0.00 SOLV ATOM 24934 OH2 TIP3 6314 5.030 21.885 -22.426 0.00 0.00 SOLV ATOM 24935 H1 TIP3 6314 5.089 22.321 -23.248 0.00 0.00 SOLV ATOM 24936 H2 TIP3 6314 5.622 21.046 -22.574 0.00 0.00 SOLV ATOM 24937 OH2 TIP3 6315 -15.656 26.927 -2.637 0.00 0.00 SOLV ATOM 24938 H1 TIP3 6315 -15.852 26.834 -1.657 0.00 0.00 SOLV ATOM 24939 H2 TIP3 6315 -14.714 27.197 -2.681 0.00 0.00 SOLV ATOM 24940 OH2 TIP3 6316 -16.256 26.807 -5.456 0.00 0.00 SOLV ATOM 24941 H1 TIP3 6316 -15.939 27.011 -4.551 0.00 0.00 SOLV ATOM 24942 H2 TIP3 6316 -15.521 26.270 -5.856 0.00 0.00 SOLV ATOM 24943 OH2 TIP3 6317 -12.129 28.721 -22.567 0.00 0.00 SOLV ATOM 24944 H1 TIP3 6317 -11.947 28.113 -23.275 0.00 0.00 SOLV ATOM 24945 H2 TIP3 6317 -12.027 28.218 -21.812 0.00 0.00 SOLV ATOM 24946 OH2 TIP3 6318 5.435 26.647 -24.892 0.00 0.00 SOLV ATOM 24947 H1 TIP3 6318 5.142 27.612 -24.951 0.00 0.00 SOLV ATOM 24948 H2 TIP3 6318 5.049 26.283 -25.737 0.00 0.00 SOLV ATOM 24949 OH2 TIP3 6319 -17.089 33.310 -21.408 0.00 0.00 SOLV ATOM 24950 H1 TIP3 6319 -16.918 32.616 -22.037 0.00 0.00 SOLV ATOM 24951 H2 TIP3 6319 -17.233 32.735 -20.665 0.00 0.00 SOLV ATOM 24952 OH2 TIP3 6320 -8.619 30.231 -24.959 0.00 0.00 SOLV ATOM 24953 H1 TIP3 6320 -8.234 31.087 -24.914 0.00 0.00 SOLV ATOM 24954 H2 TIP3 6320 -8.787 30.059 -24.035 0.00 0.00 SOLV ATOM 24955 OH2 TIP3 6321 2.510 29.006 -9.449 0.00 0.00 SOLV ATOM 24956 H1 TIP3 6321 1.757 28.281 -9.537 0.00 0.00 SOLV ATOM 24957 H2 TIP3 6321 2.067 29.864 -9.577 0.00 0.00 SOLV ATOM 24958 OH2 TIP3 6322 -14.718 29.823 -11.054 0.00 0.00 SOLV ATOM 24959 H1 TIP3 6322 -14.690 29.302 -11.849 0.00 0.00 SOLV ATOM 24960 H2 TIP3 6322 -14.945 29.117 -10.414 0.00 0.00 SOLV ATOM 24961 OH2 TIP3 6323 -19.622 29.444 -19.546 0.00 0.00 SOLV ATOM 24962 H1 TIP3 6323 -20.453 29.249 -20.019 0.00 0.00 SOLV ATOM 24963 H2 TIP3 6323 -19.402 28.638 -19.086 0.00 0.00 SOLV ATOM 24964 OH2 TIP3 6324 -19.811 19.742 -9.028 0.00 0.00 SOLV ATOM 24965 H1 TIP3 6324 -19.386 19.575 -9.847 0.00 0.00 SOLV ATOM 24966 H2 TIP3 6324 -19.474 20.632 -8.794 0.00 0.00 SOLV ATOM 24967 OH2 TIP3 6325 -11.069 30.051 5.705 0.00 0.00 SOLV ATOM 24968 H1 TIP3 6325 -10.754 30.990 5.796 0.00 0.00 SOLV ATOM 24969 H2 TIP3 6325 -10.238 29.584 5.559 0.00 0.00 SOLV ATOM 24970 OH2 TIP3 6326 -0.331 29.845 -23.060 0.00 0.00 SOLV ATOM 24971 H1 TIP3 6326 -0.257 29.391 -22.218 0.00 0.00 SOLV ATOM 24972 H2 TIP3 6326 0.415 29.469 -23.538 0.00 0.00 SOLV ATOM 24973 OH2 TIP3 6327 -10.744 29.536 -16.363 0.00 0.00 SOLV ATOM 24974 H1 TIP3 6327 -10.674 28.684 -15.945 0.00 0.00 SOLV ATOM 24975 H2 TIP3 6327 -10.136 29.360 -17.129 0.00 0.00 SOLV ATOM 24976 OH2 TIP3 6328 -10.040 31.102 -20.547 0.00 0.00 SOLV ATOM 24977 H1 TIP3 6328 -9.255 30.815 -21.088 0.00 0.00 SOLV ATOM 24978 H2 TIP3 6328 -10.743 31.280 -21.219 0.00 0.00 SOLV ATOM 24979 OH2 TIP3 6329 -21.493 24.252 -2.145 0.00 0.00 SOLV ATOM 24980 H1 TIP3 6329 -22.432 24.538 -2.222 0.00 0.00 SOLV ATOM 24981 H2 TIP3 6329 -21.001 24.955 -1.714 0.00 0.00 SOLV ATOM 24982 OH2 TIP3 6330 -21.724 29.351 -9.980 0.00 0.00 SOLV ATOM 24983 H1 TIP3 6330 -22.530 29.550 -9.548 0.00 0.00 SOLV ATOM 24984 H2 TIP3 6330 -22.093 29.164 -10.844 0.00 0.00 SOLV ATOM 24985 OH2 TIP3 6331 -20.289 24.427 -8.363 0.00 0.00 SOLV ATOM 24986 H1 TIP3 6331 -20.899 23.724 -8.531 0.00 0.00 SOLV ATOM 24987 H2 TIP3 6331 -20.440 24.672 -7.422 0.00 0.00 SOLV ATOM 24988 OH2 TIP3 6332 -13.651 26.252 3.812 0.00 0.00 SOLV ATOM 24989 H1 TIP3 6332 -13.774 27.219 3.965 0.00 0.00 SOLV ATOM 24990 H2 TIP3 6332 -12.849 26.070 4.307 0.00 0.00 SOLV ATOM 24991 OH2 TIP3 6333 -18.298 -3.887 -4.714 0.00 0.00 SOLV ATOM 24992 H1 TIP3 6333 -18.053 -4.765 -5.027 0.00 0.00 SOLV ATOM 24993 H2 TIP3 6333 -19.232 -3.818 -4.890 0.00 0.00 SOLV ATOM 24994 OH2 TIP3 6334 -1.204 32.534 -31.958 0.00 0.00 SOLV ATOM 24995 H1 TIP3 6334 -0.470 31.889 -32.168 0.00 0.00 SOLV ATOM 24996 H2 TIP3 6334 -1.124 33.292 -32.621 0.00 0.00 SOLV ATOM 24997 OH2 TIP3 6335 -17.542 27.928 -29.705 0.00 0.00 SOLV ATOM 24998 H1 TIP3 6335 -17.166 27.295 -30.324 0.00 0.00 SOLV ATOM 24999 H2 TIP3 6335 -18.517 27.739 -29.717 0.00 0.00 SOLV ATOM 25000 OH2 TIP3 6336 -16.599 17.255 -15.845 0.00 0.00 SOLV ATOM 25001 H1 TIP3 6336 -16.291 16.368 -15.963 0.00 0.00 SOLV ATOM 25002 H2 TIP3 6336 -17.470 17.255 -16.322 0.00 0.00 SOLV ATOM 25003 OH2 TIP3 6337 -12.082 35.007 -10.595 0.00 0.00 SOLV ATOM 25004 H1 TIP3 6337 -11.707 35.146 -11.470 0.00 0.00 SOLV ATOM 25005 H2 TIP3 6337 -12.586 34.179 -10.766 0.00 0.00 SOLV ATOM 25006 OH2 TIP3 6338 -20.849 26.388 -25.709 0.00 0.00 SOLV ATOM 25007 H1 TIP3 6338 -20.109 25.753 -25.516 0.00 0.00 SOLV ATOM 25008 H2 TIP3 6338 -20.376 27.253 -25.732 0.00 0.00 SOLV ATOM 25009 OH2 TIP3 6339 -23.624 28.320 -19.221 0.00 0.00 SOLV ATOM 25010 H1 TIP3 6339 -22.963 28.231 -18.502 0.00 0.00 SOLV ATOM 25011 H2 TIP3 6339 -24.193 27.575 -19.087 0.00 0.00 SOLV ATOM 25012 OH2 TIP3 6340 -19.297 33.429 -23.850 0.00 0.00 SOLV ATOM 25013 H1 TIP3 6340 -18.953 32.502 -23.929 0.00 0.00 SOLV ATOM 25014 H2 TIP3 6340 -18.657 33.930 -24.310 0.00 0.00 SOLV ATOM 25015 OH2 TIP3 6341 -24.798 23.426 -11.054 0.00 0.00 SOLV ATOM 25016 H1 TIP3 6341 -24.702 22.466 -10.800 0.00 0.00 SOLV ATOM 25017 H2 TIP3 6341 -24.497 23.347 -12.020 0.00 0.00 SOLV ATOM 25018 OH2 TIP3 6342 -18.726 31.024 5.107 0.00 0.00 SOLV ATOM 25019 H1 TIP3 6342 -18.933 30.379 5.858 0.00 0.00 SOLV ATOM 25020 H2 TIP3 6342 -19.331 31.755 5.267 0.00 0.00 SOLV ATOM 25021 OH2 TIP3 6343 -14.773 26.548 -30.157 0.00 0.00 SOLV ATOM 25022 H1 TIP3 6343 -14.964 27.440 -30.339 0.00 0.00 SOLV ATOM 25023 H2 TIP3 6343 -13.978 26.407 -30.645 0.00 0.00 SOLV ATOM 25024 OH2 TIP3 6344 -15.132 26.282 -26.944 0.00 0.00 SOLV ATOM 25025 H1 TIP3 6344 -15.359 26.922 -27.563 0.00 0.00 SOLV ATOM 25026 H2 TIP3 6344 -15.565 26.570 -26.085 0.00 0.00 SOLV ATOM 25027 OH2 TIP3 6345 0.676 28.670 -18.166 0.00 0.00 SOLV ATOM 25028 H1 TIP3 6345 0.675 27.723 -18.155 0.00 0.00 SOLV ATOM 25029 H2 TIP3 6345 1.610 28.902 -18.208 0.00 0.00 SOLV ATOM 25030 OH2 TIP3 6346 -13.682 35.915 -8.090 0.00 0.00 SOLV ATOM 25031 H1 TIP3 6346 -12.864 35.700 -8.591 0.00 0.00 SOLV ATOM 25032 H2 TIP3 6346 -13.928 35.083 -7.640 0.00 0.00 SOLV ATOM 25033 OH2 TIP3 6347 -5.012 34.910 -22.963 0.00 0.00 SOLV ATOM 25034 H1 TIP3 6347 -5.748 35.310 -22.469 0.00 0.00 SOLV ATOM 25035 H2 TIP3 6347 -4.251 35.108 -22.333 0.00 0.00 SOLV ATOM 25036 OH2 TIP3 6348 -15.508 36.245 -17.586 0.00 0.00 SOLV ATOM 25037 H1 TIP3 6348 -15.778 36.750 -16.712 0.00 0.00 SOLV ATOM 25038 H2 TIP3 6348 -15.557 36.969 -18.228 0.00 0.00 SOLV ATOM 25039 OH2 TIP3 6349 -14.488 24.699 -9.894 0.00 0.00 SOLV ATOM 25040 H1 TIP3 6349 -14.714 24.835 -10.839 0.00 0.00 SOLV ATOM 25041 H2 TIP3 6349 -13.711 24.070 -9.897 0.00 0.00 SOLV ATOM 25042 OH2 TIP3 6350 -11.375 26.997 5.393 0.00 0.00 SOLV ATOM 25043 H1 TIP3 6350 -11.106 27.480 4.563 0.00 0.00 SOLV ATOM 25044 H2 TIP3 6350 -11.059 26.097 5.153 0.00 0.00 SOLV ATOM 25045 OH2 TIP3 6351 -12.699 36.096 -1.748 0.00 0.00 SOLV ATOM 25046 H1 TIP3 6351 -12.636 37.086 -1.697 0.00 0.00 SOLV ATOM 25047 H2 TIP3 6351 -13.670 35.965 -1.923 0.00 0.00 SOLV ATOM 25048 OH2 TIP3 6352 -2.197 36.868 -18.910 0.00 0.00 SOLV ATOM 25049 H1 TIP3 6352 -3.117 36.852 -18.897 0.00 0.00 SOLV ATOM 25050 H2 TIP3 6352 -1.965 36.049 -18.453 0.00 0.00 SOLV ATOM 25051 OH2 TIP3 6353 -17.739 33.938 -12.533 0.00 0.00 SOLV ATOM 25052 H1 TIP3 6353 -17.241 33.122 -12.311 0.00 0.00 SOLV ATOM 25053 H2 TIP3 6353 -18.646 33.618 -12.470 0.00 0.00 SOLV ATOM 25054 OH2 TIP3 6354 -27.334 18.252 -9.433 0.00 0.00 SOLV ATOM 25055 H1 TIP3 6354 -26.438 17.992 -9.777 0.00 0.00 SOLV ATOM 25056 H2 TIP3 6354 -27.282 19.185 -9.110 0.00 0.00 SOLV ATOM 25057 OH2 TIP3 6355 0.245 29.839 -2.057 0.00 0.00 SOLV ATOM 25058 H1 TIP3 6355 0.510 29.907 -3.056 0.00 0.00 SOLV ATOM 25059 H2 TIP3 6355 -0.160 30.711 -1.889 0.00 0.00 SOLV ATOM 25060 OH2 TIP3 6356 -12.535 36.158 -18.664 0.00 0.00 SOLV ATOM 25061 H1 TIP3 6356 -13.050 35.535 -18.136 0.00 0.00 SOLV ATOM 25062 H2 TIP3 6356 -12.752 35.881 -19.568 0.00 0.00 SOLV ATOM 25063 OH2 TIP3 6357 -4.812 34.822 -18.974 0.00 0.00 SOLV ATOM 25064 H1 TIP3 6357 -4.271 34.599 -18.195 0.00 0.00 SOLV ATOM 25065 H2 TIP3 6357 -5.714 34.736 -18.674 0.00 0.00 SOLV ATOM 25066 OH2 TIP3 6358 -13.937 -5.870 -31.221 0.00 0.00 SOLV ATOM 25067 H1 TIP3 6358 -13.218 -5.215 -31.458 0.00 0.00 SOLV ATOM 25068 H2 TIP3 6358 -14.407 -5.880 -32.024 0.00 0.00 SOLV ATOM 25069 OH2 TIP3 6359 -18.564 29.583 -24.293 0.00 0.00 SOLV ATOM 25070 H1 TIP3 6359 -18.346 29.266 -25.213 0.00 0.00 SOLV ATOM 25071 H2 TIP3 6359 -19.563 29.792 -24.402 0.00 0.00 SOLV ATOM 25072 OH2 TIP3 6360 -13.976 28.539 -18.235 0.00 0.00 SOLV ATOM 25073 H1 TIP3 6360 -14.586 28.037 -18.780 0.00 0.00 SOLV ATOM 25074 H2 TIP3 6360 -13.656 29.184 -18.902 0.00 0.00 SOLV ATOM 25075 OH2 TIP3 6361 -20.121 19.348 -5.746 0.00 0.00 SOLV ATOM 25076 H1 TIP3 6361 -21.002 19.562 -6.198 0.00 0.00 SOLV ATOM 25077 H2 TIP3 6361 -19.725 20.208 -5.752 0.00 0.00 SOLV ATOM 25078 OH2 TIP3 6362 -19.464 21.949 7.332 0.00 0.00 SOLV ATOM 25079 H1 TIP3 6362 -19.813 22.036 6.471 0.00 0.00 SOLV ATOM 25080 H2 TIP3 6362 -20.198 21.722 7.884 0.00 0.00 SOLV ATOM 25081 OH2 TIP3 6363 -19.234 12.935 -13.780 0.00 0.00 SOLV ATOM 25082 H1 TIP3 6363 -19.532 12.197 -13.225 0.00 0.00 SOLV ATOM 25083 H2 TIP3 6363 -18.663 12.453 -14.420 0.00 0.00 SOLV ATOM 25084 OH2 TIP3 6364 -3.748 32.185 -25.939 0.00 0.00 SOLV ATOM 25085 H1 TIP3 6364 -3.214 31.416 -26.217 0.00 0.00 SOLV ATOM 25086 H2 TIP3 6364 -3.222 32.483 -25.170 0.00 0.00 SOLV ATOM 25087 OH2 TIP3 6365 -17.681 16.056 -2.605 0.00 0.00 SOLV ATOM 25088 H1 TIP3 6365 -17.801 16.785 -1.987 0.00 0.00 SOLV ATOM 25089 H2 TIP3 6365 -16.793 16.248 -2.955 0.00 0.00 SOLV ATOM 25090 OH2 TIP3 6366 0.693 18.662 -23.297 0.00 0.00 SOLV ATOM 25091 H1 TIP3 6366 1.305 18.056 -23.746 0.00 0.00 SOLV ATOM 25092 H2 TIP3 6366 1.316 19.028 -22.606 0.00 0.00 SOLV ATOM 25093 OH2 TIP3 6367 -22.187 13.201 20.913 0.00 0.00 SOLV ATOM 25094 H1 TIP3 6367 -22.195 14.106 20.556 0.00 0.00 SOLV ATOM 25095 H2 TIP3 6367 -22.392 13.231 21.869 0.00 0.00 SOLV ATOM 25096 OH2 TIP3 6368 3.613 26.162 -39.050 0.00 0.00 SOLV ATOM 25097 H1 TIP3 6368 4.292 26.669 -39.532 0.00 0.00 SOLV ATOM 25098 H2 TIP3 6368 2.801 26.669 -39.362 0.00 0.00 SOLV ATOM 25099 OH2 TIP3 6369 -18.819 17.210 -17.406 0.00 0.00 SOLV ATOM 25100 H1 TIP3 6369 -19.180 16.314 -17.301 0.00 0.00 SOLV ATOM 25101 H2 TIP3 6369 -18.542 17.149 -18.337 0.00 0.00 SOLV ATOM 25102 OH2 TIP3 6370 -21.690 19.514 4.547 0.00 0.00 SOLV ATOM 25103 H1 TIP3 6370 -22.526 19.586 3.917 0.00 0.00 SOLV ATOM 25104 H2 TIP3 6370 -21.835 20.161 5.223 0.00 0.00 SOLV ATOM 25105 OH2 TIP3 6371 3.658 19.968 2.381 0.00 0.00 SOLV ATOM 25106 H1 TIP3 6371 4.197 20.402 1.725 0.00 0.00 SOLV ATOM 25107 H2 TIP3 6371 3.382 20.727 2.941 0.00 0.00 SOLV ATOM 25108 OH2 TIP3 6372 -23.452 21.064 2.310 0.00 0.00 SOLV ATOM 25109 H1 TIP3 6372 -24.025 21.850 2.417 0.00 0.00 SOLV ATOM 25110 H2 TIP3 6372 -22.943 21.323 1.505 0.00 0.00 SOLV ATOM 25111 OH2 TIP3 6373 -8.282 21.767 -30.947 0.00 0.00 SOLV ATOM 25112 H1 TIP3 6373 -7.397 21.439 -31.079 0.00 0.00 SOLV ATOM 25113 H2 TIP3 6373 -8.078 22.781 -31.029 0.00 0.00 SOLV ATOM 25114 OH2 TIP3 6374 -5.560 29.338 -28.900 0.00 0.00 SOLV ATOM 25115 H1 TIP3 6374 -6.162 28.677 -29.119 0.00 0.00 SOLV ATOM 25116 H2 TIP3 6374 -6.008 29.825 -28.115 0.00 0.00 SOLV ATOM 25117 OH2 TIP3 6375 -7.865 32.857 -28.859 0.00 0.00 SOLV ATOM 25118 H1 TIP3 6375 -7.381 32.340 -28.249 0.00 0.00 SOLV ATOM 25119 H2 TIP3 6375 -8.753 32.830 -28.509 0.00 0.00 SOLV ATOM 25120 OH2 TIP3 6376 -14.735 12.261 -27.859 0.00 0.00 SOLV ATOM 25121 H1 TIP3 6376 -14.690 11.563 -27.204 0.00 0.00 SOLV ATOM 25122 H2 TIP3 6376 -14.205 12.962 -27.383 0.00 0.00 SOLV ATOM 25123 OH2 TIP3 6377 -13.950 24.699 -20.586 0.00 0.00 SOLV ATOM 25124 H1 TIP3 6377 -14.793 24.223 -20.698 0.00 0.00 SOLV ATOM 25125 H2 TIP3 6377 -13.307 24.065 -20.177 0.00 0.00 SOLV ATOM 25126 OH2 TIP3 6378 -5.120 -2.447 -16.196 0.00 0.00 SOLV ATOM 25127 H1 TIP3 6378 -6.068 -2.679 -15.903 0.00 0.00 SOLV ATOM 25128 H2 TIP3 6378 -4.963 -3.033 -16.947 0.00 0.00 SOLV ATOM 25129 OH2 TIP3 6379 -8.362 29.711 -22.176 0.00 0.00 SOLV ATOM 25130 H1 TIP3 6379 -8.673 28.784 -22.285 0.00 0.00 SOLV ATOM 25131 H2 TIP3 6379 -7.356 29.678 -22.241 0.00 0.00 SOLV ATOM 25132 OH2 TIP3 6380 -22.675 19.960 -6.526 0.00 0.00 SOLV ATOM 25133 H1 TIP3 6380 -22.971 19.045 -6.214 0.00 0.00 SOLV ATOM 25134 H2 TIP3 6380 -23.038 19.967 -7.414 0.00 0.00 SOLV ATOM 25135 OH2 TIP3 6381 -19.424 27.488 -22.751 0.00 0.00 SOLV ATOM 25136 H1 TIP3 6381 -19.144 28.295 -23.189 0.00 0.00 SOLV ATOM 25137 H2 TIP3 6381 -20.143 27.756 -22.184 0.00 0.00 SOLV ATOM 25138 OH2 TIP3 6382 8.930 16.976 -12.526 0.00 0.00 SOLV ATOM 25139 H1 TIP3 6382 9.740 16.771 -13.098 0.00 0.00 SOLV ATOM 25140 H2 TIP3 6382 9.385 17.428 -11.765 0.00 0.00 SOLV ATOM 25141 OH2 TIP3 6383 -23.253 26.722 5.744 0.00 0.00 SOLV ATOM 25142 H1 TIP3 6383 -23.907 27.428 5.571 0.00 0.00 SOLV ATOM 25143 H2 TIP3 6383 -22.467 27.343 5.611 0.00 0.00 SOLV ATOM 25144 OH2 TIP3 6384 -16.516 17.484 15.198 0.00 0.00 SOLV ATOM 25145 H1 TIP3 6384 -17.058 17.469 16.089 0.00 0.00 SOLV ATOM 25146 H2 TIP3 6384 -17.151 17.246 14.547 0.00 0.00 SOLV ATOM 25147 OH2 TIP3 6385 -10.902 29.547 -0.777 0.00 0.00 SOLV ATOM 25148 H1 TIP3 6385 -11.196 30.037 -1.579 0.00 0.00 SOLV ATOM 25149 H2 TIP3 6385 -11.230 30.067 -0.029 0.00 0.00 SOLV ATOM 25150 OH2 TIP3 6386 -15.383 24.118 4.693 0.00 0.00 SOLV ATOM 25151 H1 TIP3 6386 -16.282 24.182 4.203 0.00 0.00 SOLV ATOM 25152 H2 TIP3 6386 -14.937 24.892 4.249 0.00 0.00 SOLV ATOM 25153 OH2 TIP3 6387 2.498 21.325 -37.861 0.00 0.00 SOLV ATOM 25154 H1 TIP3 6387 2.084 21.005 -38.709 0.00 0.00 SOLV ATOM 25155 H2 TIP3 6387 2.144 22.252 -37.712 0.00 0.00 SOLV ATOM 25156 OH2 TIP3 6388 -15.104 21.783 -29.258 0.00 0.00 SOLV ATOM 25157 H1 TIP3 6388 -14.135 21.829 -29.361 0.00 0.00 SOLV ATOM 25158 H2 TIP3 6388 -15.338 22.637 -28.805 0.00 0.00 SOLV ATOM 25159 OH2 TIP3 6389 8.471 14.966 -20.438 0.00 0.00 SOLV ATOM 25160 H1 TIP3 6389 9.203 15.320 -19.939 0.00 0.00 SOLV ATOM 25161 H2 TIP3 6389 8.515 15.496 -21.223 0.00 0.00 SOLV ATOM 25162 OH2 TIP3 6390 -9.245 30.297 -11.616 0.00 0.00 SOLV ATOM 25163 H1 TIP3 6390 -10.042 29.840 -11.363 0.00 0.00 SOLV ATOM 25164 H2 TIP3 6390 -8.588 29.573 -11.463 0.00 0.00 SOLV ATOM 25165 OH2 TIP3 6391 -17.800 27.178 -12.038 0.00 0.00 SOLV ATOM 25166 H1 TIP3 6391 -16.933 26.684 -12.175 0.00 0.00 SOLV ATOM 25167 H2 TIP3 6391 -18.410 26.427 -11.989 0.00 0.00 SOLV ATOM 25168 OH2 TIP3 6392 -16.476 27.742 -19.500 0.00 0.00 SOLV ATOM 25169 H1 TIP3 6392 -17.365 27.960 -19.255 0.00 0.00 SOLV ATOM 25170 H2 TIP3 6392 -16.514 27.272 -20.357 0.00 0.00 SOLV ATOM 25171 OH2 TIP3 6393 -16.506 31.215 -23.047 0.00 0.00 SOLV ATOM 25172 H1 TIP3 6393 -15.703 30.823 -23.479 0.00 0.00 SOLV ATOM 25173 H2 TIP3 6393 -17.236 30.831 -23.559 0.00 0.00 SOLV ATOM 25174 OH2 TIP3 6394 10.680 7.474 34.414 0.00 0.00 SOLV ATOM 25175 H1 TIP3 6394 11.325 7.210 35.110 0.00 0.00 SOLV ATOM 25176 H2 TIP3 6394 10.897 6.843 33.689 0.00 0.00 SOLV ATOM 25177 OH2 TIP3 6395 -3.016 28.014 2.140 0.00 0.00 SOLV ATOM 25178 H1 TIP3 6395 -3.535 28.475 1.474 0.00 0.00 SOLV ATOM 25179 H2 TIP3 6395 -2.293 28.629 2.395 0.00 0.00 SOLV ATOM 25180 OH2 TIP3 6396 -11.465 -10.901 -10.627 0.00 0.00 SOLV ATOM 25181 H1 TIP3 6396 -11.854 -10.905 -11.475 0.00 0.00 SOLV ATOM 25182 H2 TIP3 6396 -10.600 -11.276 -10.850 0.00 0.00 SOLV ATOM 25183 OH2 TIP3 6397 4.679 29.363 -24.554 0.00 0.00 SOLV ATOM 25184 H1 TIP3 6397 4.868 29.851 -23.783 0.00 0.00 SOLV ATOM 25185 H2 TIP3 6397 4.879 29.999 -25.284 0.00 0.00 SOLV ATOM 25186 OH2 TIP3 6398 -12.049 17.863 -29.520 0.00 0.00 SOLV ATOM 25187 H1 TIP3 6398 -11.149 18.257 -29.535 0.00 0.00 SOLV ATOM 25188 H2 TIP3 6398 -12.201 17.600 -30.460 0.00 0.00 SOLV ATOM 25189 OH2 TIP3 6399 -11.602 38.160 -15.796 0.00 0.00 SOLV ATOM 25190 H1 TIP3 6399 -12.535 38.460 -15.884 0.00 0.00 SOLV ATOM 25191 H2 TIP3 6399 -11.658 38.006 -14.875 0.00 0.00 SOLV ATOM 25192 OH2 TIP3 6400 -21.212 30.247 -24.447 0.00 0.00 SOLV ATOM 25193 H1 TIP3 6400 -21.433 31.037 -25.054 0.00 0.00 SOLV ATOM 25194 H2 TIP3 6400 -21.946 29.675 -24.498 0.00 0.00 SOLV ATOM 25195 OH2 TIP3 6401 -10.302 31.833 -8.559 0.00 0.00 SOLV ATOM 25196 H1 TIP3 6401 -10.603 31.059 -9.164 0.00 0.00 SOLV ATOM 25197 H2 TIP3 6401 -11.010 32.366 -8.330 0.00 0.00 SOLV ATOM 25198 OH2 TIP3 6402 -11.265 30.698 -5.296 0.00 0.00 SOLV ATOM 25199 H1 TIP3 6402 -11.360 31.010 -4.398 0.00 0.00 SOLV ATOM 25200 H2 TIP3 6402 -10.332 30.902 -5.390 0.00 0.00 SOLV ATOM 25201 OH2 TIP3 6403 -14.370 -13.315 0.364 0.00 0.00 SOLV ATOM 25202 H1 TIP3 6403 -13.792 -13.217 1.135 0.00 0.00 SOLV ATOM 25203 H2 TIP3 6403 -15.139 -12.759 0.570 0.00 0.00 SOLV ATOM 25204 OH2 TIP3 6404 -2.882 33.274 4.499 0.00 0.00 SOLV ATOM 25205 H1 TIP3 6404 -3.381 34.103 4.474 0.00 0.00 SOLV ATOM 25206 H2 TIP3 6404 -3.497 32.597 4.884 0.00 0.00 SOLV ATOM 25207 OH2 TIP3 6405 -1.710 29.977 5.703 0.00 0.00 SOLV ATOM 25208 H1 TIP3 6405 -1.270 30.662 6.272 0.00 0.00 SOLV ATOM 25209 H2 TIP3 6405 -0.934 29.725 5.121 0.00 0.00 SOLV ATOM 25210 OH2 TIP3 6406 -13.058 0.449 -11.394 0.00 0.00 SOLV ATOM 25211 H1 TIP3 6406 -12.998 0.818 -12.236 0.00 0.00 SOLV ATOM 25212 H2 TIP3 6406 -14.006 0.375 -11.251 0.00 0.00 SOLV ATOM 25213 OH2 TIP3 6407 -9.220 25.173 -32.701 0.00 0.00 SOLV ATOM 25214 H1 TIP3 6407 -8.435 25.275 -33.277 0.00 0.00 SOLV ATOM 25215 H2 TIP3 6407 -8.912 25.372 -31.796 0.00 0.00 SOLV ATOM 25216 OH2 TIP3 6408 -18.698 29.769 -10.976 0.00 0.00 SOLV ATOM 25217 H1 TIP3 6408 -18.477 28.831 -11.197 0.00 0.00 SOLV ATOM 25218 H2 TIP3 6408 -19.691 29.770 -10.886 0.00 0.00 SOLV ATOM 25219 OH2 TIP3 6409 -11.269 34.635 -13.277 0.00 0.00 SOLV ATOM 25220 H1 TIP3 6409 -11.089 35.003 -14.152 0.00 0.00 SOLV ATOM 25221 H2 TIP3 6409 -11.505 33.715 -13.397 0.00 0.00 SOLV ATOM 25222 OH2 TIP3 6410 -5.586 34.041 -9.876 0.00 0.00 SOLV ATOM 25223 H1 TIP3 6410 -6.180 33.643 -9.176 0.00 0.00 SOLV ATOM 25224 H2 TIP3 6410 -6.082 33.977 -10.688 0.00 0.00 SOLV ATOM 25225 OH2 TIP3 6411 -13.182 26.870 -6.672 0.00 0.00 SOLV ATOM 25226 H1 TIP3 6411 -12.262 26.560 -6.784 0.00 0.00 SOLV ATOM 25227 H2 TIP3 6411 -13.123 27.456 -5.872 0.00 0.00 SOLV ATOM 25228 OH2 TIP3 6412 -8.461 33.098 -25.469 0.00 0.00 SOLV ATOM 25229 H1 TIP3 6412 -9.191 33.686 -25.191 0.00 0.00 SOLV ATOM 25230 H2 TIP3 6412 -7.801 33.163 -24.780 0.00 0.00 SOLV ATOM 25231 OH2 TIP3 6413 -16.342 23.678 -23.069 0.00 0.00 SOLV ATOM 25232 H1 TIP3 6413 -16.050 23.243 -22.264 0.00 0.00 SOLV ATOM 25233 H2 TIP3 6413 -17.116 23.160 -23.345 0.00 0.00 SOLV ATOM 25234 OH2 TIP3 6414 -12.989 31.150 -17.387 0.00 0.00 SOLV ATOM 25235 H1 TIP3 6414 -12.401 30.411 -17.085 0.00 0.00 SOLV ATOM 25236 H2 TIP3 6414 -13.858 30.987 -16.975 0.00 0.00 SOLV ATOM 25237 OH2 TIP3 6415 -15.390 35.508 -22.406 0.00 0.00 SOLV ATOM 25238 H1 TIP3 6415 -16.108 36.118 -22.627 0.00 0.00 SOLV ATOM 25239 H2 TIP3 6415 -15.893 34.744 -22.041 0.00 0.00 SOLV ATOM 25240 OH2 TIP3 6416 -4.502 35.028 -6.488 0.00 0.00 SOLV ATOM 25241 H1 TIP3 6416 -4.418 34.555 -5.682 0.00 0.00 SOLV ATOM 25242 H2 TIP3 6416 -4.395 34.382 -7.180 0.00 0.00 SOLV ATOM 25243 OH2 TIP3 6417 -9.147 35.860 -4.632 0.00 0.00 SOLV ATOM 25244 H1 TIP3 6417 -9.273 36.683 -5.149 0.00 0.00 SOLV ATOM 25245 H2 TIP3 6417 -8.807 35.243 -5.285 0.00 0.00 SOLV ATOM 25246 OH2 TIP3 6418 -4.479 37.690 -16.495 0.00 0.00 SOLV ATOM 25247 H1 TIP3 6418 -4.501 38.419 -17.100 0.00 0.00 SOLV ATOM 25248 H2 TIP3 6418 -5.368 37.450 -16.413 0.00 0.00 SOLV ATOM 25249 OH2 TIP3 6419 -18.625 27.402 1.604 0.00 0.00 SOLV ATOM 25250 H1 TIP3 6419 -18.888 27.607 0.669 0.00 0.00 SOLV ATOM 25251 H2 TIP3 6419 -19.477 27.552 2.101 0.00 0.00 SOLV ATOM 25252 OH2 TIP3 6420 -9.904 23.196 -34.343 0.00 0.00 SOLV ATOM 25253 H1 TIP3 6420 -9.012 22.944 -34.735 0.00 0.00 SOLV ATOM 25254 H2 TIP3 6420 -9.677 23.813 -33.664 0.00 0.00 SOLV ATOM 25255 OH2 TIP3 6421 -16.863 30.296 -17.174 0.00 0.00 SOLV ATOM 25256 H1 TIP3 6421 -16.279 29.523 -17.267 0.00 0.00 SOLV ATOM 25257 H2 TIP3 6421 -16.870 30.599 -18.128 0.00 0.00 SOLV ATOM 25258 OH2 TIP3 6422 -18.568 31.865 -15.750 0.00 0.00 SOLV ATOM 25259 H1 TIP3 6422 -17.789 31.552 -16.237 0.00 0.00 SOLV ATOM 25260 H2 TIP3 6422 -19.137 32.315 -16.416 0.00 0.00 SOLV ATOM 25261 OH2 TIP3 6423 -13.196 33.392 -7.181 0.00 0.00 SOLV ATOM 25262 H1 TIP3 6423 -13.555 32.443 -7.099 0.00 0.00 SOLV ATOM 25263 H2 TIP3 6423 -12.842 33.592 -6.309 0.00 0.00 SOLV ATOM 25264 OH2 TIP3 6424 -0.234 34.795 -28.830 0.00 0.00 SOLV ATOM 25265 H1 TIP3 6424 0.534 34.879 -29.383 0.00 0.00 SOLV ATOM 25266 H2 TIP3 6424 -0.421 33.853 -29.025 0.00 0.00 SOLV ATOM 25267 OH2 TIP3 6425 -29.841 20.078 -4.159 0.00 0.00 SOLV ATOM 25268 H1 TIP3 6425 -30.658 19.869 -4.615 0.00 0.00 SOLV ATOM 25269 H2 TIP3 6425 -29.767 21.044 -4.226 0.00 0.00 SOLV ATOM 25270 OH2 TIP3 6426 -17.473 23.813 6.857 0.00 0.00 SOLV ATOM 25271 H1 TIP3 6426 -18.149 23.150 7.100 0.00 0.00 SOLV ATOM 25272 H2 TIP3 6426 -16.737 23.217 6.624 0.00 0.00 SOLV ATOM 25273 OH2 TIP3 6427 -18.740 6.472 -16.128 0.00 0.00 SOLV ATOM 25274 H1 TIP3 6427 -18.246 6.169 -16.890 0.00 0.00 SOLV ATOM 25275 H2 TIP3 6427 -19.561 6.858 -16.524 0.00 0.00 SOLV ATOM 25276 OH2 TIP3 6428 4.669 21.956 -46.732 0.00 0.00 SOLV ATOM 25277 H1 TIP3 6428 4.855 21.051 -47.030 0.00 0.00 SOLV ATOM 25278 H2 TIP3 6428 4.089 22.212 -47.426 0.00 0.00 SOLV ATOM 25279 OH2 TIP3 6429 -26.943 19.466 -16.647 0.00 0.00 SOLV ATOM 25280 H1 TIP3 6429 -26.359 19.302 -17.455 0.00 0.00 SOLV ATOM 25281 H2 TIP3 6429 -26.774 18.698 -16.050 0.00 0.00 SOLV ATOM 25282 OH2 TIP3 6430 -14.068 23.361 10.875 0.00 0.00 SOLV ATOM 25283 H1 TIP3 6430 -13.409 23.951 11.334 0.00 0.00 SOLV ATOM 25284 H2 TIP3 6430 -14.695 23.075 11.538 0.00 0.00 SOLV ATOM 25285 OH2 TIP3 6431 -15.828 24.228 -28.506 0.00 0.00 SOLV ATOM 25286 H1 TIP3 6431 -15.824 24.885 -27.814 0.00 0.00 SOLV ATOM 25287 H2 TIP3 6431 -15.465 24.717 -29.257 0.00 0.00 SOLV ATOM 25288 OH2 TIP3 6432 -22.340 24.482 -18.281 0.00 0.00 SOLV ATOM 25289 H1 TIP3 6432 -21.729 23.752 -18.192 0.00 0.00 SOLV ATOM 25290 H2 TIP3 6432 -21.818 25.145 -17.730 0.00 0.00 SOLV ATOM 25291 OH2 TIP3 6433 -17.839 29.442 -4.104 0.00 0.00 SOLV ATOM 25292 H1 TIP3 6433 -18.393 28.658 -4.130 0.00 0.00 SOLV ATOM 25293 H2 TIP3 6433 -18.365 30.157 -4.498 0.00 0.00 SOLV ATOM 25294 OH2 TIP3 6434 -27.445 18.002 -4.315 0.00 0.00 SOLV ATOM 25295 H1 TIP3 6434 -28.264 18.424 -3.994 0.00 0.00 SOLV ATOM 25296 H2 TIP3 6434 -27.555 17.974 -5.248 0.00 0.00 SOLV ATOM 25297 OH2 TIP3 6435 -19.145 10.521 6.688 0.00 0.00 SOLV ATOM 25298 H1 TIP3 6435 -19.511 10.601 7.608 0.00 0.00 SOLV ATOM 25299 H2 TIP3 6435 -19.737 10.000 6.228 0.00 0.00 SOLV ATOM 25300 OH2 TIP3 6436 4.493 32.524 -32.955 0.00 0.00 SOLV ATOM 25301 H1 TIP3 6436 4.958 31.689 -32.747 0.00 0.00 SOLV ATOM 25302 H2 TIP3 6436 3.742 32.561 -32.303 0.00 0.00 SOLV ATOM 25303 OH2 TIP3 6437 -15.948 16.851 -32.081 0.00 0.00 SOLV ATOM 25304 H1 TIP3 6437 -15.749 15.976 -31.752 0.00 0.00 SOLV ATOM 25305 H2 TIP3 6437 -15.233 17.378 -31.722 0.00 0.00 SOLV ATOM 25306 OH2 TIP3 6438 0.202 21.000 -20.452 0.00 0.00 SOLV ATOM 25307 H1 TIP3 6438 0.830 21.541 -20.951 0.00 0.00 SOLV ATOM 25308 H2 TIP3 6438 -0.566 20.682 -21.021 0.00 0.00 SOLV ATOM 25309 OH2 TIP3 6439 9.715 13.458 -2.358 0.00 0.00 SOLV ATOM 25310 H1 TIP3 6439 9.272 13.223 -3.181 0.00 0.00 SOLV ATOM 25311 H2 TIP3 6439 9.782 12.605 -1.877 0.00 0.00 SOLV ATOM 25312 OH2 TIP3 6440 -11.759 31.316 -2.602 0.00 0.00 SOLV ATOM 25313 H1 TIP3 6440 -11.527 32.321 -2.597 0.00 0.00 SOLV ATOM 25314 H2 TIP3 6440 -12.727 31.406 -2.524 0.00 0.00 SOLV ATOM 25315 OH2 TIP3 6441 -24.463 27.227 1.474 0.00 0.00 SOLV ATOM 25316 H1 TIP3 6441 -25.014 27.213 2.253 0.00 0.00 SOLV ATOM 25317 H2 TIP3 6441 -24.188 26.306 1.377 0.00 0.00 SOLV ATOM 25318 OH2 TIP3 6442 -18.370 25.141 -3.398 0.00 0.00 SOLV ATOM 25319 H1 TIP3 6442 -17.523 25.575 -3.513 0.00 0.00 SOLV ATOM 25320 H2 TIP3 6442 -18.294 24.836 -2.473 0.00 0.00 SOLV ATOM 25321 OH2 TIP3 6443 -14.108 -2.863 -33.171 0.00 0.00 SOLV ATOM 25322 H1 TIP3 6443 -14.378 -3.709 -32.983 0.00 0.00 SOLV ATOM 25323 H2 TIP3 6443 -14.924 -2.411 -33.224 0.00 0.00 SOLV ATOM 25324 OH2 TIP3 6444 -20.884 8.206 6.098 0.00 0.00 SOLV ATOM 25325 H1 TIP3 6444 -21.371 8.552 6.857 0.00 0.00 SOLV ATOM 25326 H2 TIP3 6444 -21.487 7.537 5.657 0.00 0.00 SOLV ATOM 25327 OH2 TIP3 6445 -8.938 25.778 -29.054 0.00 0.00 SOLV ATOM 25328 H1 TIP3 6445 -9.602 25.231 -28.553 0.00 0.00 SOLV ATOM 25329 H2 TIP3 6445 -8.335 26.000 -28.328 0.00 0.00 SOLV ATOM 25330 OH2 TIP3 6446 -5.650 28.970 -22.037 0.00 0.00 SOLV ATOM 25331 H1 TIP3 6446 -5.243 29.856 -22.266 0.00 0.00 SOLV ATOM 25332 H2 TIP3 6446 -5.670 28.913 -21.105 0.00 0.00 SOLV ATOM 25333 OH2 TIP3 6447 -7.508 35.037 -17.641 0.00 0.00 SOLV ATOM 25334 H1 TIP3 6447 -8.060 35.758 -17.921 0.00 0.00 SOLV ATOM 25335 H2 TIP3 6447 -8.161 34.375 -17.354 0.00 0.00 SOLV ATOM 25336 OH2 TIP3 6448 -11.945 29.399 -8.906 0.00 0.00 SOLV ATOM 25337 H1 TIP3 6448 -12.788 29.822 -8.681 0.00 0.00 SOLV ATOM 25338 H2 TIP3 6448 -12.140 28.469 -8.893 0.00 0.00 SOLV ATOM 25339 OH2 TIP3 6449 -11.249 28.136 -29.163 0.00 0.00 SOLV ATOM 25340 H1 TIP3 6449 -11.579 27.995 -30.097 0.00 0.00 SOLV ATOM 25341 H2 TIP3 6449 -11.795 28.913 -28.933 0.00 0.00 SOLV ATOM 25342 OH2 TIP3 6450 0.629 19.126 10.674 0.00 0.00 SOLV ATOM 25343 H1 TIP3 6450 1.123 18.520 11.263 0.00 0.00 SOLV ATOM 25344 H2 TIP3 6450 -0.257 18.927 10.965 0.00 0.00 SOLV ATOM 25345 OH2 TIP3 6451 -0.167 35.118 -26.035 0.00 0.00 SOLV ATOM 25346 H1 TIP3 6451 -0.931 35.694 -25.755 0.00 0.00 SOLV ATOM 25347 H2 TIP3 6451 -0.353 34.840 -26.970 0.00 0.00 SOLV ATOM 25348 OH2 TIP3 6452 -9.382 19.753 -37.474 0.00 0.00 SOLV ATOM 25349 H1 TIP3 6452 -9.858 20.525 -37.074 0.00 0.00 SOLV ATOM 25350 H2 TIP3 6452 -8.775 20.146 -38.122 0.00 0.00 SOLV ATOM 25351 OH2 TIP3 6453 -6.966 26.886 -27.475 0.00 0.00 SOLV ATOM 25352 H1 TIP3 6453 -6.009 26.775 -27.700 0.00 0.00 SOLV ATOM 25353 H2 TIP3 6453 -6.911 27.585 -26.725 0.00 0.00 SOLV ATOM 25354 OH2 TIP3 6454 -15.577 22.377 -20.779 0.00 0.00 SOLV ATOM 25355 H1 TIP3 6454 -14.934 21.587 -20.793 0.00 0.00 SOLV ATOM 25356 H2 TIP3 6454 -16.046 22.240 -19.934 0.00 0.00 SOLV ATOM 25357 OH2 TIP3 6455 -14.102 8.250 -23.517 0.00 0.00 SOLV ATOM 25358 H1 TIP3 6455 -14.592 7.587 -24.021 0.00 0.00 SOLV ATOM 25359 H2 TIP3 6455 -13.915 7.786 -22.682 0.00 0.00 SOLV ATOM 25360 OH2 TIP3 6456 -3.093 24.070 -27.964 0.00 0.00 SOLV ATOM 25361 H1 TIP3 6456 -3.538 24.906 -27.825 0.00 0.00 SOLV ATOM 25362 H2 TIP3 6456 -3.489 23.886 -28.841 0.00 0.00 SOLV ATOM 25363 OH2 TIP3 6457 -2.447 23.108 -32.631 0.00 0.00 SOLV ATOM 25364 H1 TIP3 6457 -2.892 22.470 -33.261 0.00 0.00 SOLV ATOM 25365 H2 TIP3 6457 -1.888 22.545 -32.047 0.00 0.00 SOLV ATOM 25366 OH2 TIP3 6458 -12.306 36.860 -5.904 0.00 0.00 SOLV ATOM 25367 H1 TIP3 6458 -12.963 36.519 -6.577 0.00 0.00 SOLV ATOM 25368 H2 TIP3 6458 -12.132 36.065 -5.360 0.00 0.00 SOLV ATOM 25369 OH2 TIP3 6459 -14.543 17.430 9.251 0.00 0.00 SOLV ATOM 25370 H1 TIP3 6459 -15.021 17.089 10.050 0.00 0.00 SOLV ATOM 25371 H2 TIP3 6459 -14.661 18.363 9.190 0.00 0.00 SOLV ATOM 25372 OH2 TIP3 6460 -19.759 26.191 -14.192 0.00 0.00 SOLV ATOM 25373 H1 TIP3 6460 -19.613 25.767 -13.319 0.00 0.00 SOLV ATOM 25374 H2 TIP3 6460 -20.032 27.098 -13.950 0.00 0.00 SOLV ATOM 25375 OH2 TIP3 6461 -8.047 32.616 -12.232 0.00 0.00 SOLV ATOM 25376 H1 TIP3 6461 -8.161 32.008 -12.943 0.00 0.00 SOLV ATOM 25377 H2 TIP3 6461 -8.854 32.382 -11.738 0.00 0.00 SOLV ATOM 25378 OH2 TIP3 6462 -4.302 26.255 3.967 0.00 0.00 SOLV ATOM 25379 H1 TIP3 6462 -3.909 26.851 3.333 0.00 0.00 SOLV ATOM 25380 H2 TIP3 6462 -3.619 26.103 4.567 0.00 0.00 SOLV ATOM 25381 OH2 TIP3 6463 -7.114 17.815 0.415 0.00 0.00 SOLV ATOM 25382 H1 TIP3 6463 -6.177 17.647 0.345 0.00 0.00 SOLV ATOM 25383 H2 TIP3 6463 -7.372 17.792 -0.522 0.00 0.00 SOLV ATOM 25384 OH2 TIP3 6464 -8.906 -1.196 -25.707 0.00 0.00 SOLV ATOM 25385 H1 TIP3 6464 -8.272 -0.606 -25.998 0.00 0.00 SOLV ATOM 25386 H2 TIP3 6464 -9.544 -1.111 -26.398 0.00 0.00 SOLV ATOM 25387 OH2 TIP3 6465 -21.996 18.300 -25.215 0.00 0.00 SOLV ATOM 25388 H1 TIP3 6465 -22.571 18.177 -26.019 0.00 0.00 SOLV ATOM 25389 H2 TIP3 6465 -21.699 17.413 -24.990 0.00 0.00 SOLV ATOM 25390 OH2 TIP3 6466 -17.770 7.991 26.399 0.00 0.00 SOLV ATOM 25391 H1 TIP3 6466 -17.164 8.705 26.717 0.00 0.00 SOLV ATOM 25392 H2 TIP3 6466 -18.193 8.444 25.642 0.00 0.00 SOLV ATOM 25393 OH2 TIP3 6467 3.262 -1.958 -7.755 0.00 0.00 SOLV ATOM 25394 H1 TIP3 6467 3.936 -1.760 -7.099 0.00 0.00 SOLV ATOM 25395 H2 TIP3 6467 3.258 -2.972 -7.841 0.00 0.00 SOLV ATOM 25396 OH2 TIP3 6468 -4.181 31.140 5.621 0.00 0.00 SOLV ATOM 25397 H1 TIP3 6468 -3.302 30.742 5.518 0.00 0.00 SOLV ATOM 25398 H2 TIP3 6468 -4.660 30.344 5.817 0.00 0.00 SOLV ATOM 25399 OH2 TIP3 6469 -17.461 32.087 -26.578 0.00 0.00 SOLV ATOM 25400 H1 TIP3 6469 -16.688 32.663 -26.555 0.00 0.00 SOLV ATOM 25401 H2 TIP3 6469 -18.033 32.682 -27.046 0.00 0.00 SOLV ATOM 25402 OH2 TIP3 6470 3.827 29.234 -29.990 0.00 0.00 SOLV ATOM 25403 H1 TIP3 6470 4.789 29.439 -30.054 0.00 0.00 SOLV ATOM 25404 H2 TIP3 6470 3.755 28.504 -29.355 0.00 0.00 SOLV ATOM 25405 OH2 TIP3 6471 -18.585 16.913 -6.492 0.00 0.00 SOLV ATOM 25406 H1 TIP3 6471 -17.685 16.845 -6.146 0.00 0.00 SOLV ATOM 25407 H2 TIP3 6471 -18.906 17.789 -6.117 0.00 0.00 SOLV ATOM 25408 OH2 TIP3 6472 -10.736 33.058 -18.839 0.00 0.00 SOLV ATOM 25409 H1 TIP3 6472 -10.497 32.874 -17.930 0.00 0.00 SOLV ATOM 25410 H2 TIP3 6472 -10.618 32.250 -19.268 0.00 0.00 SOLV ATOM 25411 OH2 TIP3 6473 -17.618 11.850 -15.985 0.00 0.00 SOLV ATOM 25412 H1 TIP3 6473 -17.798 11.859 -16.926 0.00 0.00 SOLV ATOM 25413 H2 TIP3 6473 -17.031 11.143 -15.886 0.00 0.00 SOLV ATOM 25414 OH2 TIP3 6474 0.517 28.139 -13.246 0.00 0.00 SOLV ATOM 25415 H1 TIP3 6474 0.878 28.562 -13.998 0.00 0.00 SOLV ATOM 25416 H2 TIP3 6474 -0.237 27.626 -13.617 0.00 0.00 SOLV ATOM 25417 OH2 TIP3 6475 0.294 13.429 25.609 0.00 0.00 SOLV ATOM 25418 H1 TIP3 6475 -0.458 13.170 25.044 0.00 0.00 SOLV ATOM 25419 H2 TIP3 6475 0.459 14.369 25.349 0.00 0.00 SOLV ATOM 25420 OH2 TIP3 6476 -1.564 19.085 -28.026 0.00 0.00 SOLV ATOM 25421 H1 TIP3 6476 -0.834 18.521 -27.683 0.00 0.00 SOLV ATOM 25422 H2 TIP3 6476 -1.080 19.960 -28.067 0.00 0.00 SOLV ATOM 25423 OH2 TIP3 6477 7.503 23.712 3.102 0.00 0.00 SOLV ATOM 25424 H1 TIP3 6477 7.895 23.445 3.941 0.00 0.00 SOLV ATOM 25425 H2 TIP3 6477 8.099 24.386 2.809 0.00 0.00 SOLV ATOM 25426 OH2 TIP3 6478 -19.023 19.948 -14.475 0.00 0.00 SOLV ATOM 25427 H1 TIP3 6478 -19.217 19.042 -14.115 0.00 0.00 SOLV ATOM 25428 H2 TIP3 6478 -18.441 20.421 -13.834 0.00 0.00 SOLV ATOM 25429 OH2 TIP3 6479 -27.362 20.718 -7.064 0.00 0.00 SOLV ATOM 25430 H1 TIP3 6479 -27.940 20.043 -6.728 0.00 0.00 SOLV ATOM 25431 H2 TIP3 6479 -26.973 21.073 -6.288 0.00 0.00 SOLV ATOM 25432 OH2 TIP3 6480 31.101 7.433 -13.668 0.00 0.00 SOLV ATOM 25433 H1 TIP3 6480 31.763 8.002 -13.308 0.00 0.00 SOLV ATOM 25434 H2 TIP3 6480 31.077 6.779 -13.042 0.00 0.00 SOLV ATOM 25435 OH2 TIP3 6481 -10.362 23.406 -20.105 0.00 0.00 SOLV ATOM 25436 H1 TIP3 6481 -9.465 23.473 -20.509 0.00 0.00 SOLV ATOM 25437 H2 TIP3 6481 -10.219 23.941 -19.333 0.00 0.00 SOLV ATOM 25438 OH2 TIP3 6482 1.605 38.069 -4.818 0.00 0.00 SOLV ATOM 25439 H1 TIP3 6482 1.702 37.538 -5.647 0.00 0.00 SOLV ATOM 25440 H2 TIP3 6482 2.503 38.152 -4.461 0.00 0.00 SOLV ATOM 25441 OH2 TIP3 6483 -6.641 36.215 -0.077 0.00 0.00 SOLV ATOM 25442 H1 TIP3 6483 -6.699 37.143 0.225 0.00 0.00 SOLV ATOM 25443 H2 TIP3 6483 -7.416 36.120 -0.741 0.00 0.00 SOLV ATOM 25444 OH2 TIP3 6484 -7.462 36.481 -23.690 0.00 0.00 SOLV ATOM 25445 H1 TIP3 6484 -8.286 36.417 -24.128 0.00 0.00 SOLV ATOM 25446 H2 TIP3 6484 -7.772 36.132 -22.829 0.00 0.00 SOLV ATOM 25447 OH2 TIP3 6485 -19.216 35.191 -21.555 0.00 0.00 SOLV ATOM 25448 H1 TIP3 6485 -18.411 34.708 -21.392 0.00 0.00 SOLV ATOM 25449 H2 TIP3 6485 -19.465 34.825 -22.400 0.00 0.00 SOLV ATOM 25450 OH2 TIP3 6486 -2.131 32.030 -23.679 0.00 0.00 SOLV ATOM 25451 H1 TIP3 6486 -2.009 32.714 -22.974 0.00 0.00 SOLV ATOM 25452 H2 TIP3 6486 -1.348 31.515 -23.600 0.00 0.00 SOLV ATOM 25453 OH2 TIP3 6487 12.076 17.503 2.521 0.00 0.00 SOLV ATOM 25454 H1 TIP3 6487 12.199 17.999 1.627 0.00 0.00 SOLV ATOM 25455 H2 TIP3 6487 11.378 18.075 2.888 0.00 0.00 SOLV ATOM 25456 OH2 TIP3 6488 -8.396 34.145 -6.714 0.00 0.00 SOLV ATOM 25457 H1 TIP3 6488 -9.076 34.490 -7.351 0.00 0.00 SOLV ATOM 25458 H2 TIP3 6488 -8.067 33.306 -7.167 0.00 0.00 SOLV ATOM 25459 OH2 TIP3 6489 -3.537 34.369 -3.669 0.00 0.00 SOLV ATOM 25460 H1 TIP3 6489 -4.497 34.377 -3.653 0.00 0.00 SOLV ATOM 25461 H2 TIP3 6489 -3.294 34.073 -2.769 0.00 0.00 SOLV ATOM 25462 OH2 TIP3 6490 -2.865 35.841 -13.382 0.00 0.00 SOLV ATOM 25463 H1 TIP3 6490 -2.611 36.166 -14.273 0.00 0.00 SOLV ATOM 25464 H2 TIP3 6490 -2.221 35.083 -13.322 0.00 0.00 SOLV ATOM 25465 OH2 TIP3 6491 -1.537 37.882 -10.200 0.00 0.00 SOLV ATOM 25466 H1 TIP3 6491 -2.472 37.647 -9.920 0.00 0.00 SOLV ATOM 25467 H2 TIP3 6491 -0.976 37.647 -9.380 0.00 0.00 SOLV ATOM 25468 OH2 TIP3 6492 -7.811 34.768 -21.581 0.00 0.00 SOLV ATOM 25469 H1 TIP3 6492 -7.619 33.840 -21.537 0.00 0.00 SOLV ATOM 25470 H2 TIP3 6492 -8.713 34.875 -21.279 0.00 0.00 SOLV ATOM 25471 OH2 TIP3 6493 1.453 32.644 -13.617 0.00 0.00 SOLV ATOM 25472 H1 TIP3 6493 1.808 31.764 -13.616 0.00 0.00 SOLV ATOM 25473 H2 TIP3 6493 0.846 32.733 -12.934 0.00 0.00 SOLV ATOM 25474 OH2 TIP3 6494 2.638 36.299 -9.744 0.00 0.00 SOLV ATOM 25475 H1 TIP3 6494 2.630 37.249 -9.735 0.00 0.00 SOLV ATOM 25476 H2 TIP3 6494 2.881 36.184 -8.761 0.00 0.00 SOLV ATOM 25477 OH2 TIP3 6495 -7.110 36.136 -11.116 0.00 0.00 SOLV ATOM 25478 H1 TIP3 6495 -7.505 36.861 -11.530 0.00 0.00 SOLV ATOM 25479 H2 TIP3 6495 -7.738 35.958 -10.349 0.00 0.00 SOLV ATOM 25480 OH2 TIP3 6496 -11.213 37.910 -8.765 0.00 0.00 SOLV ATOM 25481 H1 TIP3 6496 -12.098 37.680 -9.186 0.00 0.00 SOLV ATOM 25482 H2 TIP3 6496 -11.179 38.901 -8.863 0.00 0.00 SOLV ATOM 25483 OH2 TIP3 6497 2.421 35.132 -14.646 0.00 0.00 SOLV ATOM 25484 H1 TIP3 6497 2.452 35.839 -14.071 0.00 0.00 SOLV ATOM 25485 H2 TIP3 6497 1.978 34.408 -14.127 0.00 0.00 SOLV ATOM 25486 OH2 TIP3 6498 -8.990 36.156 -1.546 0.00 0.00 SOLV ATOM 25487 H1 TIP3 6498 -9.383 36.921 -1.982 0.00 0.00 SOLV ATOM 25488 H2 TIP3 6498 -8.737 35.627 -2.301 0.00 0.00 SOLV ATOM 25489 OH2 TIP3 6499 -14.735 9.185 -17.298 0.00 0.00 SOLV ATOM 25490 H1 TIP3 6499 -13.794 9.221 -17.636 0.00 0.00 SOLV ATOM 25491 H2 TIP3 6499 -15.073 8.510 -17.907 0.00 0.00 SOLV ATOM 25492 OH2 TIP3 6500 -14.046 20.919 -25.941 0.00 0.00 SOLV ATOM 25493 H1 TIP3 6500 -13.106 20.740 -26.177 0.00 0.00 SOLV ATOM 25494 H2 TIP3 6500 -13.870 21.759 -25.510 0.00 0.00 SOLV ATOM 25495 OH2 TIP3 6501 -14.194 -19.549 -13.395 0.00 0.00 SOLV ATOM 25496 H1 TIP3 6501 -13.366 -19.322 -13.779 0.00 0.00 SOLV ATOM 25497 H2 TIP3 6501 -14.476 -18.678 -13.069 0.00 0.00 SOLV ATOM 25498 OH2 TIP3 6502 -10.819 20.503 -34.981 0.00 0.00 SOLV ATOM 25499 H1 TIP3 6502 -9.948 20.517 -34.516 0.00 0.00 SOLV ATOM 25500 H2 TIP3 6502 -11.290 19.851 -34.461 0.00 0.00 SOLV ATOM 25501 OH2 TIP3 6503 -14.058 18.776 -31.175 0.00 0.00 SOLV ATOM 25502 H1 TIP3 6503 -13.763 18.776 -30.306 0.00 0.00 SOLV ATOM 25503 H2 TIP3 6503 -14.547 19.595 -31.203 0.00 0.00 SOLV ATOM 25504 OH2 TIP3 6504 -6.099 20.059 -35.022 0.00 0.00 SOLV ATOM 25505 H1 TIP3 6504 -6.413 19.154 -35.122 0.00 0.00 SOLV ATOM 25506 H2 TIP3 6504 -6.798 20.436 -34.423 0.00 0.00 SOLV ATOM 25507 OH2 TIP3 6505 -6.934 17.462 -33.463 0.00 0.00 SOLV ATOM 25508 H1 TIP3 6505 -7.627 17.056 -33.898 0.00 0.00 SOLV ATOM 25509 H2 TIP3 6505 -7.331 17.813 -32.611 0.00 0.00 SOLV ATOM 25510 OH2 TIP3 6506 -9.274 28.719 -7.728 0.00 0.00 SOLV ATOM 25511 H1 TIP3 6506 -9.043 29.320 -7.017 0.00 0.00 SOLV ATOM 25512 H2 TIP3 6506 -10.025 29.162 -8.179 0.00 0.00 SOLV ATOM 25513 OH2 TIP3 6507 -17.220 13.126 6.399 0.00 0.00 SOLV ATOM 25514 H1 TIP3 6507 -17.519 12.223 6.324 0.00 0.00 SOLV ATOM 25515 H2 TIP3 6507 -16.451 13.147 5.799 0.00 0.00 SOLV ATOM 25516 OH2 TIP3 6508 -16.569 6.900 -14.446 0.00 0.00 SOLV ATOM 25517 H1 TIP3 6508 -17.330 6.777 -15.019 0.00 0.00 SOLV ATOM 25518 H2 TIP3 6508 -16.139 6.053 -14.492 0.00 0.00 SOLV ATOM 25519 OH2 TIP3 6509 0.049 21.276 -28.041 0.00 0.00 SOLV ATOM 25520 H1 TIP3 6509 0.620 21.129 -27.251 0.00 0.00 SOLV ATOM 25521 H2 TIP3 6509 0.176 22.216 -28.187 0.00 0.00 SOLV ATOM 25522 OH2 TIP3 6510 -7.263 36.978 -15.582 0.00 0.00 SOLV ATOM 25523 H1 TIP3 6510 -7.125 36.231 -16.203 0.00 0.00 SOLV ATOM 25524 H2 TIP3 6510 -7.386 36.449 -14.777 0.00 0.00 SOLV ATOM 25525 OH2 TIP3 6511 -14.522 10.257 -25.554 0.00 0.00 SOLV ATOM 25526 H1 TIP3 6511 -15.354 10.124 -26.013 0.00 0.00 SOLV ATOM 25527 H2 TIP3 6511 -14.654 9.729 -24.791 0.00 0.00 SOLV ATOM 25528 OH2 TIP3 6512 -20.414 25.046 -5.559 0.00 0.00 SOLV ATOM 25529 H1 TIP3 6512 -20.916 25.890 -5.650 0.00 0.00 SOLV ATOM 25530 H2 TIP3 6512 -20.013 25.172 -4.682 0.00 0.00 SOLV ATOM 25531 OH2 TIP3 6513 -2.241 35.460 -0.927 0.00 0.00 SOLV ATOM 25532 H1 TIP3 6513 -2.805 36.291 -1.073 0.00 0.00 SOLV ATOM 25533 H2 TIP3 6513 -2.611 35.105 -0.110 0.00 0.00 SOLV ATOM 25534 OH2 TIP3 6514 -4.050 28.589 -11.288 0.00 0.00 SOLV ATOM 25535 H1 TIP3 6514 -3.848 27.939 -11.949 0.00 0.00 SOLV ATOM 25536 H2 TIP3 6514 -3.527 29.363 -11.533 0.00 0.00 SOLV ATOM 25537 OH2 TIP3 6515 22.190 -3.976 -37.849 0.00 0.00 SOLV ATOM 25538 H1 TIP3 6515 22.683 -3.141 -37.535 0.00 0.00 SOLV ATOM 25539 H2 TIP3 6515 21.756 -3.655 -38.626 0.00 0.00 SOLV ATOM 25540 OH2 TIP3 6516 -5.836 20.863 -31.770 0.00 0.00 SOLV ATOM 25541 H1 TIP3 6516 -5.572 21.056 -32.685 0.00 0.00 SOLV ATOM 25542 H2 TIP3 6516 -5.744 19.904 -31.712 0.00 0.00 SOLV ATOM 25543 OH2 TIP3 6517 -14.092 32.690 -19.212 0.00 0.00 SOLV ATOM 25544 H1 TIP3 6517 -13.439 32.218 -18.650 0.00 0.00 SOLV ATOM 25545 H2 TIP3 6517 -13.884 32.287 -20.090 0.00 0.00 SOLV ATOM 25546 OH2 TIP3 6518 -8.089 23.106 -0.327 0.00 0.00 SOLV ATOM 25547 H1 TIP3 6518 -8.049 23.882 -0.863 0.00 0.00 SOLV ATOM 25548 H2 TIP3 6518 -8.810 22.606 -0.786 0.00 0.00 SOLV ATOM 25549 OH2 TIP3 6519 4.955 23.098 -25.098 0.00 0.00 SOLV ATOM 25550 H1 TIP3 6519 4.864 22.654 -26.006 0.00 0.00 SOLV ATOM 25551 H2 TIP3 6519 4.114 23.652 -25.069 0.00 0.00 SOLV ATOM 25552 OH2 TIP3 6520 -5.274 10.394 -30.139 0.00 0.00 SOLV ATOM 25553 H1 TIP3 6520 -4.822 9.882 -30.807 0.00 0.00 SOLV ATOM 25554 H2 TIP3 6520 -6.010 9.774 -29.850 0.00 0.00 SOLV ATOM 25555 OH2 TIP3 6521 12.695 14.819 14.014 0.00 0.00 SOLV ATOM 25556 H1 TIP3 6521 13.389 15.494 13.886 0.00 0.00 SOLV ATOM 25557 H2 TIP3 6521 13.149 14.040 14.374 0.00 0.00 SOLV ATOM 25558 OH2 TIP3 6522 -11.616 32.929 3.538 0.00 0.00 SOLV ATOM 25559 H1 TIP3 6522 -12.587 33.129 3.675 0.00 0.00 SOLV ATOM 25560 H2 TIP3 6522 -11.233 32.780 4.397 0.00 0.00 SOLV ATOM 25561 OH2 TIP3 6523 -3.459 23.424 -40.630 0.00 0.00 SOLV ATOM 25562 H1 TIP3 6523 -3.533 22.420 -40.570 0.00 0.00 SOLV ATOM 25563 H2 TIP3 6523 -4.283 23.603 -41.094 0.00 0.00 SOLV ATOM 25564 OH2 TIP3 6524 -21.661 19.037 -15.893 0.00 0.00 SOLV ATOM 25565 H1 TIP3 6524 -21.241 19.421 -16.664 0.00 0.00 SOLV ATOM 25566 H2 TIP3 6524 -20.951 19.073 -15.276 0.00 0.00 SOLV ATOM 25567 OH2 TIP3 6525 -5.240 35.372 -25.914 0.00 0.00 SOLV ATOM 25568 H1 TIP3 6525 -5.591 35.330 -25.033 0.00 0.00 SOLV ATOM 25569 H2 TIP3 6525 -4.927 34.509 -26.046 0.00 0.00 SOLV ATOM 25570 OH2 TIP3 6526 -13.021 27.153 -20.518 0.00 0.00 SOLV ATOM 25571 H1 TIP3 6526 -12.247 27.065 -19.845 0.00 0.00 SOLV ATOM 25572 H2 TIP3 6526 -13.541 26.344 -20.290 0.00 0.00 SOLV ATOM 25573 OH2 TIP3 6527 -16.513 33.778 -18.098 0.00 0.00 SOLV ATOM 25574 H1 TIP3 6527 -15.666 33.451 -18.507 0.00 0.00 SOLV ATOM 25575 H2 TIP3 6527 -16.281 34.662 -17.762 0.00 0.00 SOLV ATOM 25576 OH2 TIP3 6528 -3.278 21.751 -18.653 0.00 0.00 SOLV ATOM 25577 H1 TIP3 6528 -3.154 21.343 -19.551 0.00 0.00 SOLV ATOM 25578 H2 TIP3 6528 -3.720 22.585 -18.810 0.00 0.00 SOLV ATOM 25579 OH2 TIP3 6529 -9.256 26.624 -21.752 0.00 0.00 SOLV ATOM 25580 H1 TIP3 6529 -8.481 26.266 -22.189 0.00 0.00 SOLV ATOM 25581 H2 TIP3 6529 -9.923 26.524 -22.472 0.00 0.00 SOLV ATOM 25582 OH2 TIP3 6530 -14.660 19.813 -7.494 0.00 0.00 SOLV ATOM 25583 H1 TIP3 6530 -15.006 20.682 -7.211 0.00 0.00 SOLV ATOM 25584 H2 TIP3 6530 -15.280 19.289 -6.970 0.00 0.00 SOLV ATOM 25585 OH2 TIP3 6531 0.198 -13.924 -10.832 0.00 0.00 SOLV ATOM 25586 H1 TIP3 6531 -0.544 -14.582 -10.738 0.00 0.00 SOLV ATOM 25587 H2 TIP3 6531 0.269 -13.797 -11.765 0.00 0.00 SOLV ATOM 25588 OH2 TIP3 6532 -6.913 19.612 -42.614 0.00 0.00 SOLV ATOM 25589 H1 TIP3 6532 -6.438 19.556 -43.446 0.00 0.00 SOLV ATOM 25590 H2 TIP3 6532 -7.869 19.606 -42.979 0.00 0.00 SOLV ATOM 25591 OH2 TIP3 6533 9.764 0.378 28.430 0.00 0.00 SOLV ATOM 25592 H1 TIP3 6533 10.334 -0.383 28.451 0.00 0.00 SOLV ATOM 25593 H2 TIP3 6533 9.778 0.525 27.480 0.00 0.00 SOLV ATOM 25594 OH2 TIP3 6534 -1.654 30.392 -26.855 0.00 0.00 SOLV ATOM 25595 H1 TIP3 6534 -1.765 30.820 -27.721 0.00 0.00 SOLV ATOM 25596 H2 TIP3 6534 -0.663 30.057 -26.911 0.00 0.00 SOLV ATOM 25597 OH2 TIP3 6535 -14.471 31.670 -2.264 0.00 0.00 SOLV ATOM 25598 H1 TIP3 6535 -15.085 32.482 -2.179 0.00 0.00 SOLV ATOM 25599 H2 TIP3 6535 -14.429 31.317 -1.347 0.00 0.00 SOLV ATOM 25600 OH2 TIP3 6536 4.444 23.253 -7.579 0.00 0.00 SOLV ATOM 25601 H1 TIP3 6536 3.968 23.767 -8.306 0.00 0.00 SOLV ATOM 25602 H2 TIP3 6536 5.367 23.474 -7.701 0.00 0.00 SOLV ATOM 25603 OH2 TIP3 6537 -15.459 30.731 -4.770 0.00 0.00 SOLV ATOM 25604 H1 TIP3 6537 -15.128 31.156 -3.961 0.00 0.00 SOLV ATOM 25605 H2 TIP3 6537 -16.196 30.184 -4.440 0.00 0.00 SOLV ATOM 25606 OH2 TIP3 6538 -15.011 36.417 -14.752 0.00 0.00 SOLV ATOM 25607 H1 TIP3 6538 -15.880 35.935 -15.008 0.00 0.00 SOLV ATOM 25608 H2 TIP3 6538 -14.413 35.729 -14.425 0.00 0.00 SOLV ATOM 25609 OH2 TIP3 6539 6.835 26.765 -38.239 0.00 0.00 SOLV ATOM 25610 H1 TIP3 6539 6.222 27.157 -38.898 0.00 0.00 SOLV ATOM 25611 H2 TIP3 6539 7.230 26.080 -38.869 0.00 0.00 SOLV ATOM 25612 OH2 TIP3 6540 -12.710 23.075 -30.132 0.00 0.00 SOLV ATOM 25613 H1 TIP3 6540 -12.095 22.385 -30.425 0.00 0.00 SOLV ATOM 25614 H2 TIP3 6540 -12.450 23.811 -30.732 0.00 0.00 SOLV ATOM 25615 OH2 TIP3 6541 -13.971 29.048 4.633 0.00 0.00 SOLV ATOM 25616 H1 TIP3 6541 -13.241 29.145 5.283 0.00 0.00 SOLV ATOM 25617 H2 TIP3 6541 -13.597 29.367 3.803 0.00 0.00 SOLV ATOM 25618 OH2 TIP3 6542 -12.896 32.100 -26.298 0.00 0.00 SOLV ATOM 25619 H1 TIP3 6542 -12.619 31.187 -26.201 0.00 0.00 SOLV ATOM 25620 H2 TIP3 6542 -12.382 32.600 -25.703 0.00 0.00 SOLV ATOM 25621 OH2 TIP3 6543 19.291 19.671 -35.460 0.00 0.00 SOLV ATOM 25622 H1 TIP3 6543 19.522 19.104 -34.669 0.00 0.00 SOLV ATOM 25623 H2 TIP3 6543 19.531 19.119 -36.159 0.00 0.00 SOLV ATOM 25624 OH2 TIP3 6544 2.352 26.455 -18.160 0.00 0.00 SOLV ATOM 25625 H1 TIP3 6544 2.660 26.999 -18.876 0.00 0.00 SOLV ATOM 25626 H2 TIP3 6544 3.175 26.509 -17.621 0.00 0.00 SOLV ATOM 25627 OH2 TIP3 6545 -9.209 38.238 -6.479 0.00 0.00 SOLV ATOM 25628 H1 TIP3 6545 -10.071 37.960 -6.764 0.00 0.00 SOLV ATOM 25629 H2 TIP3 6545 -9.324 39.124 -6.138 0.00 0.00 SOLV ATOM 25630 OH2 TIP3 6546 1.386 31.313 -10.059 0.00 0.00 SOLV ATOM 25631 H1 TIP3 6546 0.473 31.186 -9.759 0.00 0.00 SOLV ATOM 25632 H2 TIP3 6546 1.520 32.238 -9.823 0.00 0.00 SOLV ATOM 25633 OH2 TIP3 6547 -9.628 15.302 -28.136 0.00 0.00 SOLV ATOM 25634 H1 TIP3 6547 -9.039 14.761 -27.725 0.00 0.00 SOLV ATOM 25635 H2 TIP3 6547 -9.611 16.115 -27.601 0.00 0.00 SOLV ATOM 25636 OH2 TIP3 6548 -2.837 13.306 -25.369 0.00 0.00 SOLV ATOM 25637 H1 TIP3 6548 -2.541 13.689 -24.494 0.00 0.00 SOLV ATOM 25638 H2 TIP3 6548 -2.290 13.857 -25.999 0.00 0.00 SOLV ATOM 25639 OH2 TIP3 6549 -14.832 24.923 -7.291 0.00 0.00 SOLV ATOM 25640 H1 TIP3 6549 -14.968 24.862 -8.245 0.00 0.00 SOLV ATOM 25641 H2 TIP3 6549 -14.116 25.558 -7.165 0.00 0.00 SOLV ATOM 25642 OH2 TIP3 6550 -8.692 23.561 5.964 0.00 0.00 SOLV ATOM 25643 H1 TIP3 6550 -8.478 22.655 6.257 0.00 0.00 SOLV ATOM 25644 H2 TIP3 6550 -7.807 23.904 5.842 0.00 0.00 SOLV ATOM 25645 OH2 TIP3 6551 9.307 16.468 3.702 0.00 0.00 SOLV ATOM 25646 H1 TIP3 6551 9.463 17.419 3.659 0.00 0.00 SOLV ATOM 25647 H2 TIP3 6551 9.899 16.204 4.381 0.00 0.00 SOLV ATOM 25648 OH2 TIP3 6552 -15.915 29.810 -26.387 0.00 0.00 SOLV ATOM 25649 H1 TIP3 6552 -15.127 29.766 -25.739 0.00 0.00 SOLV ATOM 25650 H2 TIP3 6552 -16.369 30.635 -26.143 0.00 0.00 SOLV ATOM 25651 OH2 TIP3 6553 -0.689 29.328 -31.599 0.00 0.00 SOLV ATOM 25652 H1 TIP3 6553 0.078 28.751 -31.748 0.00 0.00 SOLV ATOM 25653 H2 TIP3 6553 -0.478 29.789 -30.735 0.00 0.00 SOLV ATOM 25654 OH2 TIP3 6554 -2.557 28.385 -24.012 0.00 0.00 SOLV ATOM 25655 H1 TIP3 6554 -1.679 28.819 -23.789 0.00 0.00 SOLV ATOM 25656 H2 TIP3 6554 -2.614 27.772 -23.256 0.00 0.00 SOLV ATOM 25657 OH2 TIP3 6555 9.361 24.831 -34.583 0.00 0.00 SOLV ATOM 25658 H1 TIP3 6555 9.994 24.103 -34.823 0.00 0.00 SOLV ATOM 25659 H2 TIP3 6555 8.545 24.460 -34.960 0.00 0.00 SOLV ATOM 25660 OH2 TIP3 6556 -2.066 32.007 1.801 0.00 0.00 SOLV ATOM 25661 H1 TIP3 6556 -3.044 31.840 1.743 0.00 0.00 SOLV ATOM 25662 H2 TIP3 6556 -1.933 32.461 2.702 0.00 0.00 SOLV ATOM 25663 OH2 TIP3 6557 -14.374 33.101 3.540 0.00 0.00 SOLV ATOM 25664 H1 TIP3 6557 -14.657 34.028 3.892 0.00 0.00 SOLV ATOM 25665 H2 TIP3 6557 -14.708 32.541 4.245 0.00 0.00 SOLV ATOM 25666 OH2 TIP3 6558 -11.612 29.639 -25.756 0.00 0.00 SOLV ATOM 25667 H1 TIP3 6558 -10.655 29.712 -25.567 0.00 0.00 SOLV ATOM 25668 H2 TIP3 6558 -11.711 28.740 -26.035 0.00 0.00 SOLV ATOM 25669 OH2 TIP3 6559 -2.833 28.155 -30.283 0.00 0.00 SOLV ATOM 25670 H1 TIP3 6559 -3.419 28.870 -30.527 0.00 0.00 SOLV ATOM 25671 H2 TIP3 6559 -2.089 28.231 -30.876 0.00 0.00 SOLV ATOM 25672 OH2 TIP3 6560 -2.163 30.902 -11.780 0.00 0.00 SOLV ATOM 25673 H1 TIP3 6560 -1.571 31.683 -11.833 0.00 0.00 SOLV ATOM 25674 H2 TIP3 6560 -2.433 30.776 -12.746 0.00 0.00 SOLV ATOM 25675 OH2 TIP3 6561 -21.848 17.586 -8.627 0.00 0.00 SOLV ATOM 25676 H1 TIP3 6561 -21.172 18.335 -8.556 0.00 0.00 SOLV ATOM 25677 H2 TIP3 6561 -22.685 18.027 -8.614 0.00 0.00 SOLV ATOM 25678 OH2 TIP3 6562 -3.924 28.649 -26.764 0.00 0.00 SOLV ATOM 25679 H1 TIP3 6562 -4.348 29.191 -27.442 0.00 0.00 SOLV ATOM 25680 H2 TIP3 6562 -3.125 29.024 -26.475 0.00 0.00 SOLV ATOM 25681 OH2 TIP3 6563 -5.303 37.632 -6.172 0.00 0.00 SOLV ATOM 25682 H1 TIP3 6563 -5.830 37.685 -7.010 0.00 0.00 SOLV ATOM 25683 H2 TIP3 6563 -4.982 36.708 -6.240 0.00 0.00 SOLV ATOM 25684 OH2 TIP3 6564 -15.662 14.106 -13.461 0.00 0.00 SOLV ATOM 25685 H1 TIP3 6564 -15.172 14.518 -14.167 0.00 0.00 SOLV ATOM 25686 H2 TIP3 6564 -16.128 14.842 -13.164 0.00 0.00 SOLV ATOM 25687 OH2 TIP3 6565 7.824 33.701 -29.843 0.00 0.00 SOLV ATOM 25688 H1 TIP3 6565 7.290 33.953 -29.086 0.00 0.00 SOLV ATOM 25689 H2 TIP3 6565 8.459 33.021 -29.562 0.00 0.00 SOLV ATOM 25690 OH2 TIP3 6566 1.197 34.000 -23.892 0.00 0.00 SOLV ATOM 25691 H1 TIP3 6566 1.880 33.431 -24.264 0.00 0.00 SOLV ATOM 25692 H2 TIP3 6566 0.780 34.431 -24.671 0.00 0.00 SOLV ATOM 25693 OH2 TIP3 6567 -10.441 27.933 2.713 0.00 0.00 SOLV ATOM 25694 H1 TIP3 6567 -9.562 27.681 2.740 0.00 0.00 SOLV ATOM 25695 H2 TIP3 6567 -10.815 27.315 2.054 0.00 0.00 SOLV ATOM 25696 OH2 TIP3 6568 9.369 24.262 -1.964 0.00 0.00 SOLV ATOM 25697 H1 TIP3 6568 10.226 24.288 -2.354 0.00 0.00 SOLV ATOM 25698 H2 TIP3 6568 9.462 24.907 -1.279 0.00 0.00 SOLV ATOM 25699 OH2 TIP3 6569 -7.411 31.537 2.069 0.00 0.00 SOLV ATOM 25700 H1 TIP3 6569 -7.766 30.978 2.739 0.00 0.00 SOLV ATOM 25701 H2 TIP3 6569 -7.756 32.418 2.117 0.00 0.00 SOLV ATOM 25702 OH2 TIP3 6570 -8.386 29.389 6.450 0.00 0.00 SOLV ATOM 25703 H1 TIP3 6570 -7.924 30.135 6.871 0.00 0.00 SOLV ATOM 25704 H2 TIP3 6570 -8.685 28.869 7.232 0.00 0.00 SOLV ATOM 25705 OH2 TIP3 6571 -2.925 34.190 -10.796 0.00 0.00 SOLV ATOM 25706 H1 TIP3 6571 -3.550 33.582 -10.415 0.00 0.00 SOLV ATOM 25707 H2 TIP3 6571 -3.277 35.054 -10.561 0.00 0.00 SOLV ATOM 25708 OH2 TIP3 6572 -11.167 33.882 -1.487 0.00 0.00 SOLV ATOM 25709 H1 TIP3 6572 -11.615 34.741 -1.649 0.00 0.00 SOLV ATOM 25710 H2 TIP3 6572 -11.627 33.491 -0.704 0.00 0.00 SOLV ATOM 25711 OH2 TIP3 6573 4.207 30.316 2.634 0.00 0.00 SOLV ATOM 25712 H1 TIP3 6573 5.085 30.642 2.568 0.00 0.00 SOLV ATOM 25713 H2 TIP3 6573 3.699 30.890 2.022 0.00 0.00 SOLV ATOM 25714 OH2 TIP3 6574 -5.218 17.654 -38.276 0.00 0.00 SOLV ATOM 25715 H1 TIP3 6574 -4.705 18.452 -37.984 0.00 0.00 SOLV ATOM 25716 H2 TIP3 6574 -6.024 17.977 -38.801 0.00 0.00 SOLV ATOM 25717 OH2 TIP3 6575 -11.532 -14.974 -24.521 0.00 0.00 SOLV ATOM 25718 H1 TIP3 6575 -11.244 -14.590 -25.305 0.00 0.00 SOLV ATOM 25719 H2 TIP3 6575 -12.507 -14.776 -24.484 0.00 0.00 SOLV ATOM 25720 OH2 TIP3 6576 -3.696 26.597 -22.076 0.00 0.00 SOLV ATOM 25721 H1 TIP3 6576 -3.596 26.370 -21.121 0.00 0.00 SOLV ATOM 25722 H2 TIP3 6576 -4.151 27.492 -22.006 0.00 0.00 SOLV ATOM 25723 OH2 TIP3 6577 5.527 24.503 -46.031 0.00 0.00 SOLV ATOM 25724 H1 TIP3 6577 5.251 23.558 -46.202 0.00 0.00 SOLV ATOM 25725 H2 TIP3 6577 4.730 25.023 -46.278 0.00 0.00 SOLV ATOM 25726 OH2 TIP3 6578 -8.617 21.468 8.410 0.00 0.00 SOLV ATOM 25727 H1 TIP3 6578 -8.008 20.686 8.129 0.00 0.00 SOLV ATOM 25728 H2 TIP3 6578 -9.304 21.050 8.951 0.00 0.00 SOLV ATOM 25729 OH2 TIP3 6579 -18.212 22.566 -11.391 0.00 0.00 SOLV ATOM 25730 H1 TIP3 6579 -17.528 22.032 -11.865 0.00 0.00 SOLV ATOM 25731 H2 TIP3 6579 -17.754 22.731 -10.539 0.00 0.00 SOLV ATOM 25732 OH2 TIP3 6580 -20.256 17.748 6.324 0.00 0.00 SOLV ATOM 25733 H1 TIP3 6580 -20.826 18.236 5.738 0.00 0.00 SOLV ATOM 25734 H2 TIP3 6580 -20.884 17.221 6.777 0.00 0.00 SOLV ATOM 25735 OH2 TIP3 6581 3.356 25.685 -33.001 0.00 0.00 SOLV ATOM 25736 H1 TIP3 6581 2.812 25.298 -33.695 0.00 0.00 SOLV ATOM 25737 H2 TIP3 6581 4.240 25.670 -33.424 0.00 0.00 SOLV ATOM 25738 OH2 TIP3 6582 -4.767 23.230 -30.308 0.00 0.00 SOLV ATOM 25739 H1 TIP3 6582 -4.212 23.334 -31.048 0.00 0.00 SOLV ATOM 25740 H2 TIP3 6582 -5.412 23.975 -30.433 0.00 0.00 SOLV ATOM 25741 OH2 TIP3 6583 3.780 22.405 -27.649 0.00 0.00 SOLV ATOM 25742 H1 TIP3 6583 3.199 21.953 -28.252 0.00 0.00 SOLV ATOM 25743 H2 TIP3 6583 4.521 22.506 -28.197 0.00 0.00 SOLV ATOM 25744 OH2 TIP3 6584 8.592 8.558 -16.483 0.00 0.00 SOLV ATOM 25745 H1 TIP3 6584 7.930 7.862 -16.191 0.00 0.00 SOLV ATOM 25746 H2 TIP3 6584 9.140 7.984 -17.106 0.00 0.00 SOLV ATOM 25747 OH2 TIP3 6585 -22.930 -6.239 8.825 0.00 0.00 SOLV ATOM 25748 H1 TIP3 6585 -22.927 -5.688 7.961 0.00 0.00 SOLV ATOM 25749 H2 TIP3 6585 -21.970 -6.330 9.060 0.00 0.00 SOLV ATOM 25750 OH2 TIP3 6586 -12.344 22.539 -33.404 0.00 0.00 SOLV ATOM 25751 H1 TIP3 6586 -11.478 22.601 -33.797 0.00 0.00 SOLV ATOM 25752 H2 TIP3 6586 -12.149 22.234 -32.507 0.00 0.00 SOLV ATOM 25753 OH2 TIP3 6587 2.261 22.042 -22.154 0.00 0.00 SOLV ATOM 25754 H1 TIP3 6587 2.428 22.869 -21.690 0.00 0.00 SOLV ATOM 25755 H2 TIP3 6587 3.181 21.731 -22.297 0.00 0.00 SOLV ATOM 25756 OH2 TIP3 6588 -16.063 9.509 -21.929 0.00 0.00 SOLV ATOM 25757 H1 TIP3 6588 -15.404 9.499 -22.625 0.00 0.00 SOLV ATOM 25758 H2 TIP3 6588 -15.864 8.659 -21.425 0.00 0.00 SOLV ATOM 25759 OH2 TIP3 6589 -13.493 26.466 -16.550 0.00 0.00 SOLV ATOM 25760 H1 TIP3 6589 -13.512 27.267 -17.037 0.00 0.00 SOLV ATOM 25761 H2 TIP3 6589 -14.343 26.110 -16.847 0.00 0.00 SOLV ATOM 25762 OH2 TIP3 6590 -15.357 22.319 -6.940 0.00 0.00 SOLV ATOM 25763 H1 TIP3 6590 -15.428 22.335 -5.964 0.00 0.00 SOLV ATOM 25764 H2 TIP3 6590 -15.282 23.270 -7.114 0.00 0.00 SOLV ATOM 25765 OH2 TIP3 6591 -8.974 0.236 -4.007 0.00 0.00 SOLV ATOM 25766 H1 TIP3 6591 -8.701 -0.131 -3.179 0.00 0.00 SOLV ATOM 25767 H2 TIP3 6591 -9.923 0.088 -4.000 0.00 0.00 SOLV ATOM 25768 OH2 TIP3 6592 -7.513 27.239 2.368 0.00 0.00 SOLV ATOM 25769 H1 TIP3 6592 -7.208 26.414 2.794 0.00 0.00 SOLV ATOM 25770 H2 TIP3 6592 -7.300 27.066 1.445 0.00 0.00 SOLV ATOM 25771 OH2 TIP3 6593 -5.892 29.269 3.526 0.00 0.00 SOLV ATOM 25772 H1 TIP3 6593 -6.666 28.833 3.140 0.00 0.00 SOLV ATOM 25773 H2 TIP3 6593 -5.492 28.523 4.032 0.00 0.00 SOLV ATOM 25774 OH2 TIP3 6594 -8.602 28.326 -30.427 0.00 0.00 SOLV ATOM 25775 H1 TIP3 6594 -8.946 27.556 -29.881 0.00 0.00 SOLV ATOM 25776 H2 TIP3 6594 -9.404 28.684 -30.705 0.00 0.00 SOLV ATOM 25777 OH2 TIP3 6595 -15.019 16.361 -3.753 0.00 0.00 SOLV ATOM 25778 H1 TIP3 6595 -14.333 16.454 -3.013 0.00 0.00 SOLV ATOM 25779 H2 TIP3 6595 -14.544 15.748 -4.361 0.00 0.00 SOLV ATOM 25780 OH2 TIP3 6596 -4.399 28.647 -0.067 0.00 0.00 SOLV ATOM 25781 H1 TIP3 6596 -4.449 29.616 -0.315 0.00 0.00 SOLV ATOM 25782 H2 TIP3 6596 -4.754 28.233 -0.855 0.00 0.00 SOLV ATOM 25783 OH2 TIP3 6597 2.627 14.831 18.045 0.00 0.00 SOLV ATOM 25784 H1 TIP3 6597 2.515 14.733 18.995 0.00 0.00 SOLV ATOM 25785 H2 TIP3 6597 3.550 14.928 17.979 0.00 0.00 SOLV ATOM 25786 OH2 TIP3 6598 -11.527 34.003 -4.766 0.00 0.00 SOLV ATOM 25787 H1 TIP3 6598 -11.034 33.216 -5.090 0.00 0.00 SOLV ATOM 25788 H2 TIP3 6598 -10.942 34.324 -4.094 0.00 0.00 SOLV ATOM 25789 OH2 TIP3 6599 -6.900 25.078 -30.618 0.00 0.00 SOLV ATOM 25790 H1 TIP3 6599 -6.585 25.851 -31.080 0.00 0.00 SOLV ATOM 25791 H2 TIP3 6599 -7.606 25.390 -30.021 0.00 0.00 SOLV ATOM 25792 OH2 TIP3 6600 -16.253 19.294 -34.141 0.00 0.00 SOLV ATOM 25793 H1 TIP3 6600 -15.529 19.907 -34.404 0.00 0.00 SOLV ATOM 25794 H2 TIP3 6600 -15.780 18.497 -33.787 0.00 0.00 SOLV ATOM 25795 OH2 TIP3 6601 -9.186 -3.362 -20.798 0.00 0.00 SOLV ATOM 25796 H1 TIP3 6601 -8.546 -3.559 -20.094 0.00 0.00 SOLV ATOM 25797 H2 TIP3 6601 -9.299 -4.203 -21.256 0.00 0.00 SOLV ATOM 25798 OH2 TIP3 6602 -10.815 21.106 -31.394 0.00 0.00 SOLV ATOM 25799 H1 TIP3 6602 -10.826 20.163 -31.749 0.00 0.00 SOLV ATOM 25800 H2 TIP3 6602 -9.866 21.261 -31.222 0.00 0.00 SOLV ATOM 25801 OH2 TIP3 6603 -6.398 36.716 -20.152 0.00 0.00 SOLV ATOM 25802 H1 TIP3 6603 -6.960 36.151 -20.710 0.00 0.00 SOLV ATOM 25803 H2 TIP3 6603 -5.781 36.026 -19.731 0.00 0.00 SOLV ATOM 25804 OH2 TIP3 6604 -9.441 33.257 -16.390 0.00 0.00 SOLV ATOM 25805 H1 TIP3 6604 -9.305 33.820 -15.643 0.00 0.00 SOLV ATOM 25806 H2 TIP3 6604 -9.634 32.396 -15.966 0.00 0.00 SOLV ATOM 25807 OH2 TIP3 6605 -7.386 32.201 -8.708 0.00 0.00 SOLV ATOM 25808 H1 TIP3 6605 -6.946 31.289 -8.720 0.00 0.00 SOLV ATOM 25809 H2 TIP3 6605 -8.294 31.922 -8.805 0.00 0.00 SOLV ATOM 25810 OH2 TIP3 6606 5.466 0.738 -10.339 0.00 0.00 SOLV ATOM 25811 H1 TIP3 6606 6.076 0.936 -11.070 0.00 0.00 SOLV ATOM 25812 H2 TIP3 6606 5.959 1.054 -9.526 0.00 0.00 SOLV ATOM 25813 OH2 TIP3 6607 -4.694 31.301 2.029 0.00 0.00 SOLV ATOM 25814 H1 TIP3 6607 -5.196 30.592 2.656 0.00 0.00 SOLV ATOM 25815 H2 TIP3 6607 -5.454 31.829 1.729 0.00 0.00 SOLV ATOM 25816 OH2 TIP3 6608 7.395 28.470 -42.200 0.00 0.00 SOLV ATOM 25817 H1 TIP3 6608 7.369 28.365 -43.124 0.00 0.00 SOLV ATOM 25818 H2 TIP3 6608 7.145 29.449 -42.084 0.00 0.00 SOLV ATOM 25819 OH2 TIP3 6609 -0.886 23.801 -41.185 0.00 0.00 SOLV ATOM 25820 H1 TIP3 6609 -1.801 23.710 -40.785 0.00 0.00 SOLV ATOM 25821 H2 TIP3 6609 -0.447 22.920 -41.054 0.00 0.00 SOLV ATOM 25822 OH2 TIP3 6610 -20.196 17.601 -13.300 0.00 0.00 SOLV ATOM 25823 H1 TIP3 6610 -19.975 16.704 -13.135 0.00 0.00 SOLV ATOM 25824 H2 TIP3 6610 -21.207 17.607 -13.213 0.00 0.00 SOLV ATOM 25825 OH2 TIP3 6611 7.628 30.934 -25.049 0.00 0.00 SOLV ATOM 25826 H1 TIP3 6611 6.740 31.272 -25.314 0.00 0.00 SOLV ATOM 25827 H2 TIP3 6611 7.388 30.094 -24.633 0.00 0.00 SOLV ATOM 25828 OH2 TIP3 6612 -12.626 32.325 -14.671 0.00 0.00 SOLV ATOM 25829 H1 TIP3 6612 -12.296 32.065 -15.517 0.00 0.00 SOLV ATOM 25830 H2 TIP3 6612 -13.541 32.267 -14.933 0.00 0.00 SOLV ATOM 25831 OH2 TIP3 6613 11.807 23.825 -19.813 0.00 0.00 SOLV ATOM 25832 H1 TIP3 6613 12.182 23.737 -20.634 0.00 0.00 SOLV ATOM 25833 H2 TIP3 6613 11.353 24.670 -19.872 0.00 0.00 SOLV ATOM 25834 OH2 TIP3 6614 -15.920 28.461 1.922 0.00 0.00 SOLV ATOM 25835 H1 TIP3 6614 -16.118 27.990 2.721 0.00 0.00 SOLV ATOM 25836 H2 TIP3 6614 -16.746 28.454 1.512 0.00 0.00 SOLV ATOM 25837 OH2 TIP3 6615 10.011 19.608 -2.896 0.00 0.00 SOLV ATOM 25838 H1 TIP3 6615 9.590 20.400 -3.336 0.00 0.00 SOLV ATOM 25839 H2 TIP3 6615 10.707 20.065 -2.396 0.00 0.00 SOLV ATOM 25840 OH2 TIP3 6616 -12.633 25.392 -31.813 0.00 0.00 SOLV ATOM 25841 H1 TIP3 6616 -12.282 26.288 -31.902 0.00 0.00 SOLV ATOM 25842 H2 TIP3 6616 -12.438 24.930 -32.654 0.00 0.00 SOLV ATOM 25843 OH2 TIP3 6617 -13.496 -4.856 -16.966 0.00 0.00 SOLV ATOM 25844 H1 TIP3 6617 -12.868 -5.354 -16.360 0.00 0.00 SOLV ATOM 25845 H2 TIP3 6617 -14.386 -5.277 -16.818 0.00 0.00 SOLV ATOM 25846 OH2 TIP3 6618 -11.557 -3.101 -22.616 0.00 0.00 SOLV ATOM 25847 H1 TIP3 6618 -11.278 -3.176 -23.502 0.00 0.00 SOLV ATOM 25848 H2 TIP3 6618 -10.743 -3.056 -22.107 0.00 0.00 SOLV ATOM 25849 OH2 TIP3 6619 7.026 0.593 5.192 0.00 0.00 SOLV ATOM 25850 H1 TIP3 6619 6.624 1.048 5.972 0.00 0.00 SOLV ATOM 25851 H2 TIP3 6619 6.235 0.406 4.654 0.00 0.00 SOLV ATOM 25852 OH2 TIP3 6620 14.604 23.547 -23.326 0.00 0.00 SOLV ATOM 25853 H1 TIP3 6620 14.523 24.508 -23.439 0.00 0.00 SOLV ATOM 25854 H2 TIP3 6620 13.717 23.215 -23.105 0.00 0.00 SOLV ATOM 25855 OH2 TIP3 6621 18.647 3.551 25.319 0.00 0.00 SOLV ATOM 25856 H1 TIP3 6621 18.437 4.200 24.602 0.00 0.00 SOLV ATOM 25857 H2 TIP3 6621 18.766 2.710 24.881 0.00 0.00 SOLV ATOM 25858 OH2 TIP3 6622 -12.649 27.395 -1.492 0.00 0.00 SOLV ATOM 25859 H1 TIP3 6622 -12.716 26.787 -0.787 0.00 0.00 SOLV ATOM 25860 H2 TIP3 6622 -12.008 28.094 -1.249 0.00 0.00 SOLV ATOM 25861 OH2 TIP3 6623 -9.443 33.721 1.572 0.00 0.00 SOLV ATOM 25862 H1 TIP3 6623 -9.661 34.618 1.362 0.00 0.00 SOLV ATOM 25863 H2 TIP3 6623 -10.060 33.508 2.281 0.00 0.00 SOLV ATOM 25864 OH2 TIP3 6624 0.718 29.084 -27.651 0.00 0.00 SOLV ATOM 25865 H1 TIP3 6624 0.131 28.405 -27.945 0.00 0.00 SOLV ATOM 25866 H2 TIP3 6624 1.450 28.627 -27.191 0.00 0.00 SOLV ATOM 25867 OH2 TIP3 6625 -1.514 29.775 -19.979 0.00 0.00 SOLV ATOM 25868 H1 TIP3 6625 -1.164 30.650 -19.785 0.00 0.00 SOLV ATOM 25869 H2 TIP3 6625 -0.691 29.343 -20.047 0.00 0.00 SOLV ATOM 25870 OH2 TIP3 6626 -6.538 32.393 -23.549 0.00 0.00 SOLV ATOM 25871 H1 TIP3 6626 -5.852 33.019 -23.466 0.00 0.00 SOLV ATOM 25872 H2 TIP3 6626 -6.520 32.024 -22.676 0.00 0.00 SOLV ATOM 25873 OH2 TIP3 6627 2.007 24.398 -34.921 0.00 0.00 SOLV ATOM 25874 H1 TIP3 6627 1.129 23.885 -34.810 0.00 0.00 SOLV ATOM 25875 H2 TIP3 6627 2.416 23.899 -35.644 0.00 0.00 SOLV ATOM 25876 OH2 TIP3 6628 -1.703 33.057 -7.355 0.00 0.00 SOLV ATOM 25877 H1 TIP3 6628 -1.589 33.860 -7.780 0.00 0.00 SOLV ATOM 25878 H2 TIP3 6628 -1.489 32.383 -8.034 0.00 0.00 SOLV ATOM 25879 OH2 TIP3 6629 -5.367 33.541 -0.721 0.00 0.00 SOLV ATOM 25880 H1 TIP3 6629 -5.548 34.269 -0.145 0.00 0.00 SOLV ATOM 25881 H2 TIP3 6629 -6.194 33.322 -1.148 0.00 0.00 SOLV ATOM 25882 OH2 TIP3 6630 7.436 26.758 7.173 0.00 0.00 SOLV ATOM 25883 H1 TIP3 6630 8.250 26.214 7.229 0.00 0.00 SOLV ATOM 25884 H2 TIP3 6630 6.843 26.260 7.855 0.00 0.00 SOLV ATOM 25885 OH2 TIP3 6631 16.048 33.049 -28.397 0.00 0.00 SOLV ATOM 25886 H1 TIP3 6631 15.830 33.826 -28.807 0.00 0.00 SOLV ATOM 25887 H2 TIP3 6631 15.712 33.165 -27.499 0.00 0.00 SOLV ATOM 25888 OH2 TIP3 6632 -6.188 27.847 -24.501 0.00 0.00 SOLV ATOM 25889 H1 TIP3 6632 -5.448 28.326 -24.849 0.00 0.00 SOLV ATOM 25890 H2 TIP3 6632 -6.049 27.955 -23.545 0.00 0.00 SOLV ATOM 25891 OH2 TIP3 6633 -9.150 32.766 -4.150 0.00 0.00 SOLV ATOM 25892 H1 TIP3 6633 -8.940 33.016 -3.227 0.00 0.00 SOLV ATOM 25893 H2 TIP3 6633 -8.828 33.474 -4.693 0.00 0.00 SOLV ATOM 25894 OH2 TIP3 6634 9.677 34.602 -23.909 0.00 0.00 SOLV ATOM 25895 H1 TIP3 6634 10.520 34.358 -23.523 0.00 0.00 SOLV ATOM 25896 H2 TIP3 6634 9.185 33.799 -23.828 0.00 0.00 SOLV ATOM 25897 OH2 TIP3 6635 -10.850 34.069 -23.889 0.00 0.00 SOLV ATOM 25898 H1 TIP3 6635 -10.502 34.184 -23.031 0.00 0.00 SOLV ATOM 25899 H2 TIP3 6635 -11.557 34.778 -23.903 0.00 0.00 SOLV ATOM 25900 OH2 TIP3 6636 8.446 29.574 -18.923 0.00 0.00 SOLV ATOM 25901 H1 TIP3 6636 9.338 29.671 -18.589 0.00 0.00 SOLV ATOM 25902 H2 TIP3 6636 7.906 29.826 -18.119 0.00 0.00 SOLV ATOM 25903 OH2 TIP3 6637 0.873 31.133 3.991 0.00 0.00 SOLV ATOM 25904 H1 TIP3 6637 1.659 31.047 4.538 0.00 0.00 SOLV ATOM 25905 H2 TIP3 6637 0.427 31.905 4.311 0.00 0.00 SOLV ATOM 25906 OH2 TIP3 6638 3.604 34.602 -28.031 0.00 0.00 SOLV ATOM 25907 H1 TIP3 6638 4.540 34.298 -27.873 0.00 0.00 SOLV ATOM 25908 H2 TIP3 6638 3.094 33.801 -27.939 0.00 0.00 SOLV ATOM 25909 OH2 TIP3 6639 16.583 2.959 -5.135 0.00 0.00 SOLV ATOM 25910 H1 TIP3 6639 16.959 2.379 -5.763 0.00 0.00 SOLV ATOM 25911 H2 TIP3 6639 16.849 3.841 -5.401 0.00 0.00 SOLV ATOM 25912 OH2 TIP3 6640 16.147 10.474 -8.906 0.00 0.00 SOLV ATOM 25913 H1 TIP3 6640 15.630 11.294 -8.986 0.00 0.00 SOLV ATOM 25914 H2 TIP3 6640 15.527 9.935 -8.412 0.00 0.00 SOLV ATOM 25915 OH2 TIP3 6641 11.654 20.491 -45.755 0.00 0.00 SOLV ATOM 25916 H1 TIP3 6641 10.854 20.705 -46.289 0.00 0.00 SOLV ATOM 25917 H2 TIP3 6641 11.655 19.523 -45.612 0.00 0.00 SOLV ATOM 25918 OH2 TIP3 6642 2.106 18.316 -40.204 0.00 0.00 SOLV ATOM 25919 H1 TIP3 6642 1.775 17.461 -39.714 0.00 0.00 SOLV ATOM 25920 H2 TIP3 6642 2.916 18.526 -39.713 0.00 0.00 SOLV ATOM 25921 OH2 TIP3 6643 1.316 26.893 -40.435 0.00 0.00 SOLV ATOM 25922 H1 TIP3 6643 0.506 26.906 -39.950 0.00 0.00 SOLV ATOM 25923 H2 TIP3 6643 1.354 27.778 -40.933 0.00 0.00 SOLV ATOM 25924 OH2 TIP3 6644 -3.730 12.254 20.195 0.00 0.00 SOLV ATOM 25925 H1 TIP3 6644 -2.751 12.173 20.225 0.00 0.00 SOLV ATOM 25926 H2 TIP3 6644 -4.052 11.342 20.394 0.00 0.00 SOLV ATOM 25927 OH2 TIP3 6645 12.596 24.429 -28.906 0.00 0.00 SOLV ATOM 25928 H1 TIP3 6645 11.654 24.295 -28.529 0.00 0.00 SOLV ATOM 25929 H2 TIP3 6645 12.985 23.516 -28.792 0.00 0.00 SOLV ATOM 25930 OH2 TIP3 6646 -1.579 17.607 -41.561 0.00 0.00 SOLV ATOM 25931 H1 TIP3 6646 -1.859 17.915 -42.484 0.00 0.00 SOLV ATOM 25932 H2 TIP3 6646 -1.900 18.348 -41.044 0.00 0.00 SOLV ATOM 25933 OH2 TIP3 6647 0.711 18.510 -43.455 0.00 0.00 SOLV ATOM 25934 H1 TIP3 6647 1.228 19.219 -43.904 0.00 0.00 SOLV ATOM 25935 H2 TIP3 6647 0.322 19.018 -42.731 0.00 0.00 SOLV ATOM 25936 OH2 TIP3 6648 -4.203 18.714 -31.538 0.00 0.00 SOLV ATOM 25937 H1 TIP3 6648 -4.256 18.135 -30.831 0.00 0.00 SOLV ATOM 25938 H2 TIP3 6648 -3.534 18.317 -32.145 0.00 0.00 SOLV ATOM 25939 OH2 TIP3 6649 -3.661 22.662 -37.792 0.00 0.00 SOLV ATOM 25940 H1 TIP3 6649 -3.695 23.565 -38.236 0.00 0.00 SOLV ATOM 25941 H2 TIP3 6649 -3.081 22.853 -37.047 0.00 0.00 SOLV ATOM 25942 OH2 TIP3 6650 18.370 9.179 -8.006 0.00 0.00 SOLV ATOM 25943 H1 TIP3 6650 17.584 9.563 -8.451 0.00 0.00 SOLV ATOM 25944 H2 TIP3 6650 18.877 9.952 -7.661 0.00 0.00 SOLV ATOM 25945 OH2 TIP3 6651 18.703 19.494 -20.788 0.00 0.00 SOLV ATOM 25946 H1 TIP3 6651 18.638 19.108 -21.665 0.00 0.00 SOLV ATOM 25947 H2 TIP3 6651 18.123 20.296 -20.803 0.00 0.00 SOLV ATOM 25948 OH2 TIP3 6652 -10.237 32.591 6.096 0.00 0.00 SOLV ATOM 25949 H1 TIP3 6652 -10.123 32.608 7.052 0.00 0.00 SOLV ATOM 25950 H2 TIP3 6652 -10.302 33.500 5.858 0.00 0.00 SOLV ATOM 25951 OH2 TIP3 6653 -2.231 20.722 -42.759 0.00 0.00 SOLV ATOM 25952 H1 TIP3 6653 -1.360 20.939 -42.423 0.00 0.00 SOLV ATOM 25953 H2 TIP3 6653 -2.575 21.532 -43.162 0.00 0.00 SOLV ATOM 25954 OH2 TIP3 6654 5.166 21.204 -39.335 0.00 0.00 SOLV ATOM 25955 H1 TIP3 6654 5.327 21.547 -38.447 0.00 0.00 SOLV ATOM 25956 H2 TIP3 6654 4.351 21.647 -39.558 0.00 0.00 SOLV ATOM 25957 OH2 TIP3 6655 -3.283 30.120 -32.023 0.00 0.00 SOLV ATOM 25958 H1 TIP3 6655 -2.378 29.933 -31.764 0.00 0.00 SOLV ATOM 25959 H2 TIP3 6655 -3.140 30.115 -32.985 0.00 0.00 SOLV ATOM 25960 OH2 TIP3 6656 16.401 27.747 -26.153 0.00 0.00 SOLV ATOM 25961 H1 TIP3 6656 15.799 26.990 -26.304 0.00 0.00 SOLV ATOM 25962 H2 TIP3 6656 16.456 28.145 -26.985 0.00 0.00 SOLV ATOM 25963 OH2 TIP3 6657 -2.655 27.656 -13.887 0.00 0.00 SOLV ATOM 25964 H1 TIP3 6657 -3.504 27.975 -14.212 0.00 0.00 SOLV ATOM 25965 H2 TIP3 6657 -2.963 26.791 -13.577 0.00 0.00 SOLV ATOM 25966 OH2 TIP3 6658 0.260 28.361 3.894 0.00 0.00 SOLV ATOM 25967 H1 TIP3 6658 0.468 29.306 3.694 0.00 0.00 SOLV ATOM 25968 H2 TIP3 6658 0.775 28.122 4.710 0.00 0.00 SOLV ATOM 25969 OH2 TIP3 6659 -5.689 -9.989 -3.053 0.00 0.00 SOLV ATOM 25970 H1 TIP3 6659 -4.876 -10.316 -3.654 0.00 0.00 SOLV ATOM 25971 H2 TIP3 6659 -5.184 -9.656 -2.280 0.00 0.00 SOLV ATOM 25972 OH2 TIP3 6660 11.731 26.951 2.912 0.00 0.00 SOLV ATOM 25973 H1 TIP3 6660 11.764 26.845 3.899 0.00 0.00 SOLV ATOM 25974 H2 TIP3 6660 11.423 26.136 2.557 0.00 0.00 SOLV ATOM 25975 OH2 TIP3 6661 -2.536 17.931 -33.761 0.00 0.00 SOLV ATOM 25976 H1 TIP3 6661 -2.304 17.195 -33.193 0.00 0.00 SOLV ATOM 25977 H2 TIP3 6661 -2.100 17.655 -34.612 0.00 0.00 SOLV ATOM 25978 OH2 TIP3 6662 -0.476 21.581 -39.103 0.00 0.00 SOLV ATOM 25979 H1 TIP3 6662 -0.573 21.748 -38.134 0.00 0.00 SOLV ATOM 25980 H2 TIP3 6662 -1.280 20.994 -39.310 0.00 0.00 SOLV ATOM 25981 OH2 TIP3 6663 3.622 21.480 -44.104 0.00 0.00 SOLV ATOM 25982 H1 TIP3 6663 3.779 21.773 -45.001 0.00 0.00 SOLV ATOM 25983 H2 TIP3 6663 4.286 21.956 -43.593 0.00 0.00 SOLV ATOM 25984 OH2 TIP3 6664 4.360 5.948 -9.394 0.00 0.00 SOLV ATOM 25985 H1 TIP3 6664 4.762 6.834 -9.182 0.00 0.00 SOLV ATOM 25986 H2 TIP3 6664 3.931 5.729 -8.553 0.00 0.00 SOLV ATOM 25987 OH2 TIP3 6665 -4.541 20.073 -37.256 0.00 0.00 SOLV ATOM 25988 H1 TIP3 6665 -5.059 20.105 -36.458 0.00 0.00 SOLV ATOM 25989 H2 TIP3 6665 -4.246 21.017 -37.379 0.00 0.00 SOLV ATOM 25990 OH2 TIP3 6666 7.927 23.589 5.999 0.00 0.00 SOLV ATOM 25991 H1 TIP3 6666 8.374 23.742 6.879 0.00 0.00 SOLV ATOM 25992 H2 TIP3 6666 6.974 23.552 6.207 0.00 0.00 SOLV ATOM 25993 OH2 TIP3 6667 20.760 18.321 -2.871 0.00 0.00 SOLV ATOM 25994 H1 TIP3 6667 21.274 17.742 -2.273 0.00 0.00 SOLV ATOM 25995 H2 TIP3 6667 20.969 19.189 -2.548 0.00 0.00 SOLV ATOM 25996 OH2 TIP3 6668 1.978 24.074 -37.717 0.00 0.00 SOLV ATOM 25997 H1 TIP3 6668 2.445 24.208 -38.506 0.00 0.00 SOLV ATOM 25998 H2 TIP3 6668 1.420 24.847 -37.520 0.00 0.00 SOLV ATOM 25999 OH2 TIP3 6669 5.723 30.156 -32.254 0.00 0.00 SOLV ATOM 26000 H1 TIP3 6669 6.090 30.335 -31.399 0.00 0.00 SOLV ATOM 26001 H2 TIP3 6669 6.158 29.284 -32.521 0.00 0.00 SOLV ATOM 26002 OH2 TIP3 6670 10.531 16.864 -21.396 0.00 0.00 SOLV ATOM 26003 H1 TIP3 6670 11.223 17.486 -21.864 0.00 0.00 SOLV ATOM 26004 H2 TIP3 6670 11.073 16.213 -20.956 0.00 0.00 SOLV ATOM 26005 OH2 TIP3 6671 -1.281 31.444 -29.419 0.00 0.00 SOLV ATOM 26006 H1 TIP3 6671 -2.280 31.408 -29.405 0.00 0.00 SOLV ATOM 26007 H2 TIP3 6671 -1.068 31.829 -30.319 0.00 0.00 SOLV ATOM 26008 OH2 TIP3 6672 -11.967 30.112 -13.187 0.00 0.00 SOLV ATOM 26009 H1 TIP3 6672 -12.283 31.008 -13.306 0.00 0.00 SOLV ATOM 26010 H2 TIP3 6672 -12.597 29.595 -13.601 0.00 0.00 SOLV ATOM 26011 OH2 TIP3 6673 -11.090 18.975 -24.935 0.00 0.00 SOLV ATOM 26012 H1 TIP3 6673 -10.927 19.938 -24.932 0.00 0.00 SOLV ATOM 26013 H2 TIP3 6673 -10.947 18.697 -24.036 0.00 0.00 SOLV ATOM 26014 OH2 TIP3 6674 0.011 23.058 -24.238 0.00 0.00 SOLV ATOM 26015 H1 TIP3 6674 -0.466 22.435 -24.830 0.00 0.00 SOLV ATOM 26016 H2 TIP3 6674 -0.677 23.372 -23.675 0.00 0.00 SOLV ATOM 26017 OH2 TIP3 6675 -3.116 26.237 -25.355 0.00 0.00 SOLV ATOM 26018 H1 TIP3 6675 -3.517 26.656 -26.130 0.00 0.00 SOLV ATOM 26019 H2 TIP3 6675 -3.007 26.994 -24.781 0.00 0.00 SOLV ATOM 26020 OH2 TIP3 6676 2.911 19.771 -28.443 0.00 0.00 SOLV ATOM 26021 H1 TIP3 6676 1.981 20.038 -28.122 0.00 0.00 SOLV ATOM 26022 H2 TIP3 6676 3.465 19.888 -27.666 0.00 0.00 SOLV ATOM 26023 OH2 TIP3 6677 -15.078 0.862 -28.335 0.00 0.00 SOLV ATOM 26024 H1 TIP3 6677 -14.324 0.587 -27.817 0.00 0.00 SOLV ATOM 26025 H2 TIP3 6677 -15.826 0.471 -27.877 0.00 0.00 SOLV ATOM 26026 OH2 TIP3 6678 -0.352 29.588 -35.874 0.00 0.00 SOLV ATOM 26027 H1 TIP3 6678 -0.162 30.531 -35.915 0.00 0.00 SOLV ATOM 26028 H2 TIP3 6678 0.510 29.133 -35.744 0.00 0.00 SOLV ATOM 26029 OH2 TIP3 6679 5.084 19.216 -41.627 0.00 0.00 SOLV ATOM 26030 H1 TIP3 6679 4.251 19.677 -41.837 0.00 0.00 SOLV ATOM 26031 H2 TIP3 6679 5.686 19.981 -41.436 0.00 0.00 SOLV ATOM 26032 OH2 TIP3 6680 -9.633 18.915 -29.296 0.00 0.00 SOLV ATOM 26033 H1 TIP3 6680 -9.108 19.700 -28.955 0.00 0.00 SOLV ATOM 26034 H2 TIP3 6680 -9.622 18.337 -28.541 0.00 0.00 SOLV ATOM 26035 OH2 TIP3 6681 -18.726 19.420 -29.995 0.00 0.00 SOLV ATOM 26036 H1 TIP3 6681 -19.101 19.487 -29.100 0.00 0.00 SOLV ATOM 26037 H2 TIP3 6681 -18.651 18.454 -30.176 0.00 0.00 SOLV ATOM 26038 OH2 TIP3 6682 -0.169 22.259 -31.139 0.00 0.00 SOLV ATOM 26039 H1 TIP3 6682 -0.430 22.269 -30.236 0.00 0.00 SOLV ATOM 26040 H2 TIP3 6682 0.716 22.628 -31.075 0.00 0.00 SOLV ATOM 26041 OH2 TIP3 6683 -1.983 22.353 -26.166 0.00 0.00 SOLV ATOM 26042 H1 TIP3 6683 -1.557 21.748 -26.761 0.00 0.00 SOLV ATOM 26043 H2 TIP3 6683 -2.311 23.061 -26.808 0.00 0.00 SOLV ATOM 26044 OH2 TIP3 6684 9.602 22.450 0.199 0.00 0.00 SOLV ATOM 26045 H1 TIP3 6684 8.929 21.792 0.478 0.00 0.00 SOLV ATOM 26046 H2 TIP3 6684 9.048 23.055 -0.382 0.00 0.00 SOLV ATOM 26047 OH2 TIP3 6685 -0.118 33.189 -20.078 0.00 0.00 SOLV ATOM 26048 H1 TIP3 6685 -0.486 33.490 -20.868 0.00 0.00 SOLV ATOM 26049 H2 TIP3 6685 0.840 33.146 -20.261 0.00 0.00 SOLV ATOM 26050 OH2 TIP3 6686 7.158 31.853 -13.315 0.00 0.00 SOLV ATOM 26051 H1 TIP3 6686 7.185 32.769 -13.483 0.00 0.00 SOLV ATOM 26052 H2 TIP3 6686 6.602 31.504 -14.038 0.00 0.00 SOLV ATOM 26053 OH2 TIP3 6687 -3.134 31.215 -14.361 0.00 0.00 SOLV ATOM 26054 H1 TIP3 6687 -3.724 32.053 -14.242 0.00 0.00 SOLV ATOM 26055 H2 TIP3 6687 -2.305 31.720 -14.598 0.00 0.00 SOLV ATOM 26056 OH2 TIP3 6688 -3.598 25.640 7.326 0.00 0.00 SOLV ATOM 26057 H1 TIP3 6688 -3.669 24.880 7.958 0.00 0.00 SOLV ATOM 26058 H2 TIP3 6688 -4.268 26.219 7.705 0.00 0.00 SOLV ATOM 26059 OH2 TIP3 6689 4.795 26.626 -0.409 0.00 0.00 SOLV ATOM 26060 H1 TIP3 6689 4.605 26.786 0.517 0.00 0.00 SOLV ATOM 26061 H2 TIP3 6689 5.049 27.492 -0.685 0.00 0.00 SOLV ATOM 26062 OH2 TIP3 6690 8.732 28.127 -5.030 0.00 0.00 SOLV ATOM 26063 H1 TIP3 6690 9.003 27.797 -4.185 0.00 0.00 SOLV ATOM 26064 H2 TIP3 6690 8.217 27.451 -5.421 0.00 0.00 SOLV ATOM 26065 OH2 TIP3 6691 -8.621 17.898 -31.470 0.00 0.00 SOLV ATOM 26066 H1 TIP3 6691 -8.973 16.977 -31.544 0.00 0.00 SOLV ATOM 26067 H2 TIP3 6691 -8.774 18.219 -30.590 0.00 0.00 SOLV ATOM 26068 OH2 TIP3 6692 1.409 27.522 -32.083 0.00 0.00 SOLV ATOM 26069 H1 TIP3 6692 1.936 26.756 -32.342 0.00 0.00 SOLV ATOM 26070 H2 TIP3 6692 1.868 28.345 -32.483 0.00 0.00 SOLV ATOM 26071 OH2 TIP3 6693 14.608 30.073 -36.353 0.00 0.00 SOLV ATOM 26072 H1 TIP3 6693 14.042 29.508 -35.730 0.00 0.00 SOLV ATOM 26073 H2 TIP3 6693 14.069 30.866 -36.394 0.00 0.00 SOLV ATOM 26074 OH2 TIP3 6694 -6.657 30.815 -26.878 0.00 0.00 SOLV ATOM 26075 H1 TIP3 6694 -6.147 31.265 -26.167 0.00 0.00 SOLV ATOM 26076 H2 TIP3 6694 -7.439 30.556 -26.402 0.00 0.00 SOLV ATOM 26077 OH2 TIP3 6695 -14.390 34.249 -12.907 0.00 0.00 SOLV ATOM 26078 H1 TIP3 6695 -13.707 33.583 -13.167 0.00 0.00 SOLV ATOM 26079 H2 TIP3 6695 -15.030 33.771 -12.390 0.00 0.00 SOLV ATOM 26080 OH2 TIP3 6696 -1.217 19.630 -46.293 0.00 0.00 SOLV ATOM 26081 H1 TIP3 6696 -0.405 20.059 -46.442 0.00 0.00 SOLV ATOM 26082 H2 TIP3 6696 -1.123 19.419 -45.376 0.00 0.00 SOLV ATOM 26083 OH2 TIP3 6697 -1.302 26.975 -38.979 0.00 0.00 SOLV ATOM 26084 H1 TIP3 6697 -1.704 27.538 -39.619 0.00 0.00 SOLV ATOM 26085 H2 TIP3 6697 -2.047 26.418 -38.668 0.00 0.00 SOLV ATOM 26086 OH2 TIP3 6698 7.205 35.979 -32.058 0.00 0.00 SOLV ATOM 26087 H1 TIP3 6698 6.213 36.284 -31.920 0.00 0.00 SOLV ATOM 26088 H2 TIP3 6698 7.464 35.575 -31.199 0.00 0.00 SOLV ATOM 26089 OH2 TIP3 6699 -14.263 30.209 -24.182 0.00 0.00 SOLV ATOM 26090 H1 TIP3 6699 -13.602 29.586 -24.077 0.00 0.00 SOLV ATOM 26091 H2 TIP3 6699 -13.794 31.024 -24.387 0.00 0.00 SOLV ATOM 26092 OH2 TIP3 6700 -6.240 35.213 -4.192 0.00 0.00 SOLV ATOM 26093 H1 TIP3 6700 -6.061 35.776 -4.951 0.00 0.00 SOLV ATOM 26094 H2 TIP3 6700 -6.969 35.707 -3.763 0.00 0.00 SOLV ATOM 26095 OH2 TIP3 6701 -1.538 35.739 -7.669 0.00 0.00 SOLV ATOM 26096 H1 TIP3 6701 -2.386 36.172 -7.927 0.00 0.00 SOLV ATOM 26097 H2 TIP3 6701 -0.895 36.367 -7.797 0.00 0.00 SOLV ATOM 26098 OH2 TIP3 6702 -0.070 25.256 -30.929 0.00 0.00 SOLV ATOM 26099 H1 TIP3 6702 0.441 25.904 -31.367 0.00 0.00 SOLV ATOM 26100 H2 TIP3 6702 -0.257 24.537 -31.557 0.00 0.00 SOLV ATOM 26101 OH2 TIP3 6703 9.458 31.293 -29.261 0.00 0.00 SOLV ATOM 26102 H1 TIP3 6703 10.069 31.019 -29.951 0.00 0.00 SOLV ATOM 26103 H2 TIP3 6703 10.008 31.456 -28.454 0.00 0.00 SOLV ATOM 26104 OH2 TIP3 6704 -0.798 25.264 -25.967 0.00 0.00 SOLV ATOM 26105 H1 TIP3 6704 -1.625 25.698 -25.745 0.00 0.00 SOLV ATOM 26106 H2 TIP3 6704 -0.828 24.555 -25.315 0.00 0.00 SOLV ATOM 26107 OH2 TIP3 6705 2.412 30.218 -12.402 0.00 0.00 SOLV ATOM 26108 H1 TIP3 6705 1.837 29.413 -12.507 0.00 0.00 SOLV ATOM 26109 H2 TIP3 6705 2.060 30.552 -11.566 0.00 0.00 SOLV ATOM 26110 OH2 TIP3 6706 11.555 14.891 5.646 0.00 0.00 SOLV ATOM 26111 H1 TIP3 6706 12.195 14.949 4.876 0.00 0.00 SOLV ATOM 26112 H2 TIP3 6706 11.748 13.967 5.960 0.00 0.00 SOLV ATOM 26113 OH2 TIP3 6707 20.872 4.395 20.099 0.00 0.00 SOLV ATOM 26114 H1 TIP3 6707 21.599 3.802 19.864 0.00 0.00 SOLV ATOM 26115 H2 TIP3 6707 20.663 4.055 20.969 0.00 0.00 SOLV ATOM 26116 OH2 TIP3 6708 -10.679 36.181 0.718 0.00 0.00 SOLV ATOM 26117 H1 TIP3 6708 -11.586 36.354 0.402 0.00 0.00 SOLV ATOM 26118 H2 TIP3 6708 -10.222 36.097 -0.148 0.00 0.00 SOLV ATOM 26119 OH2 TIP3 6709 -8.552 33.086 -1.131 0.00 0.00 SOLV ATOM 26120 H1 TIP3 6709 -9.529 32.939 -1.364 0.00 0.00 SOLV ATOM 26121 H2 TIP3 6709 -8.659 33.472 -0.256 0.00 0.00 SOLV ATOM 26122 OH2 TIP3 6710 -4.313 31.163 -22.159 0.00 0.00 SOLV ATOM 26123 H1 TIP3 6710 -3.673 31.170 -22.841 0.00 0.00 SOLV ATOM 26124 H2 TIP3 6710 -3.923 31.719 -21.473 0.00 0.00 SOLV ATOM 26125 OH2 TIP3 6711 9.824 14.651 -16.279 0.00 0.00 SOLV ATOM 26126 H1 TIP3 6711 8.921 14.254 -16.058 0.00 0.00 SOLV ATOM 26127 H2 TIP3 6711 10.262 13.861 -16.568 0.00 0.00 SOLV ATOM 26128 OH2 TIP3 6712 3.175 5.218 7.469 0.00 0.00 SOLV ATOM 26129 H1 TIP3 6712 3.723 4.576 7.951 0.00 0.00 SOLV ATOM 26130 H2 TIP3 6712 3.146 4.887 6.517 0.00 0.00 SOLV ATOM 26131 OH2 TIP3 6713 8.503 20.456 -13.663 0.00 0.00 SOLV ATOM 26132 H1 TIP3 6713 9.363 20.760 -14.068 0.00 0.00 SOLV ATOM 26133 H2 TIP3 6713 8.195 19.818 -14.301 0.00 0.00 SOLV ATOM 26134 OH2 TIP3 6714 5.896 32.897 -17.726 0.00 0.00 SOLV ATOM 26135 H1 TIP3 6714 5.092 32.879 -17.141 0.00 0.00 SOLV ATOM 26136 H2 TIP3 6714 6.621 32.583 -17.197 0.00 0.00 SOLV ATOM 26137 OH2 TIP3 6715 -1.373 32.081 -0.830 0.00 0.00 SOLV ATOM 26138 H1 TIP3 6715 -0.780 32.779 -1.113 0.00 0.00 SOLV ATOM 26139 H2 TIP3 6715 -1.126 31.819 0.101 0.00 0.00 SOLV ATOM 26140 OH2 TIP3 6716 -0.321 37.895 -2.886 0.00 0.00 SOLV ATOM 26141 H1 TIP3 6716 0.425 37.948 -3.522 0.00 0.00 SOLV ATOM 26142 H2 TIP3 6716 -0.578 36.961 -2.991 0.00 0.00 SOLV ATOM 26143 OH2 TIP3 6717 -0.944 26.958 -28.326 0.00 0.00 SOLV ATOM 26144 H1 TIP3 6717 -1.342 26.280 -27.865 0.00 0.00 SOLV ATOM 26145 H2 TIP3 6717 -1.392 26.959 -29.165 0.00 0.00 SOLV ATOM 26146 OH2 TIP3 6718 5.263 29.613 -0.049 0.00 0.00 SOLV ATOM 26147 H1 TIP3 6718 5.526 30.501 -0.318 0.00 0.00 SOLV ATOM 26148 H2 TIP3 6718 4.313 29.725 -0.061 0.00 0.00 SOLV ATOM 26149 OH2 TIP3 6719 -3.628 34.610 -16.476 0.00 0.00 SOLV ATOM 26150 H1 TIP3 6719 -2.670 34.300 -16.589 0.00 0.00 SOLV ATOM 26151 H2 TIP3 6719 -3.897 34.305 -15.617 0.00 0.00 SOLV ATOM 26152 OH2 TIP3 6720 7.308 34.328 -14.132 0.00 0.00 SOLV ATOM 26153 H1 TIP3 6720 7.945 34.676 -14.826 0.00 0.00 SOLV ATOM 26154 H2 TIP3 6720 6.623 35.008 -14.131 0.00 0.00 SOLV ATOM 26155 OH2 TIP3 6721 -23.499 10.809 5.190 0.00 0.00 SOLV ATOM 26156 H1 TIP3 6721 -23.471 9.873 5.129 0.00 0.00 SOLV ATOM 26157 H2 TIP3 6721 -24.425 10.952 5.116 0.00 0.00 SOLV ATOM 26158 OH2 TIP3 6722 24.114 17.761 -29.408 0.00 0.00 SOLV ATOM 26159 H1 TIP3 6722 24.640 18.011 -30.215 0.00 0.00 SOLV ATOM 26160 H2 TIP3 6722 23.672 16.941 -29.797 0.00 0.00 SOLV ATOM 26161 OH2 TIP3 6723 -4.489 25.879 -31.407 0.00 0.00 SOLV ATOM 26162 H1 TIP3 6723 -3.686 25.469 -31.692 0.00 0.00 SOLV ATOM 26163 H2 TIP3 6723 -4.390 26.828 -31.774 0.00 0.00 SOLV ATOM 26164 OH2 TIP3 6724 18.755 18.985 -23.428 0.00 0.00 SOLV ATOM 26165 H1 TIP3 6724 19.718 19.093 -23.596 0.00 0.00 SOLV ATOM 26166 H2 TIP3 6724 18.570 18.199 -23.969 0.00 0.00 SOLV ATOM 26167 OH2 TIP3 6725 15.346 22.259 -10.333 0.00 0.00 SOLV ATOM 26168 H1 TIP3 6725 16.194 22.710 -10.140 0.00 0.00 SOLV ATOM 26169 H2 TIP3 6725 14.887 22.894 -10.922 0.00 0.00 SOLV ATOM 26170 OH2 TIP3 6726 2.243 34.661 -32.919 0.00 0.00 SOLV ATOM 26171 H1 TIP3 6726 2.556 34.667 -33.912 0.00 0.00 SOLV ATOM 26172 H2 TIP3 6726 1.309 34.250 -32.900 0.00 0.00 SOLV ATOM 26173 OH2 TIP3 6727 8.044 10.190 -12.591 0.00 0.00 SOLV ATOM 26174 H1 TIP3 6727 7.439 10.945 -12.429 0.00 0.00 SOLV ATOM 26175 H2 TIP3 6727 7.757 9.540 -11.900 0.00 0.00 SOLV ATOM 26176 OH2 TIP3 6728 -3.489 25.226 -35.869 0.00 0.00 SOLV ATOM 26177 H1 TIP3 6728 -2.657 25.737 -36.023 0.00 0.00 SOLV ATOM 26178 H2 TIP3 6728 -4.114 25.899 -36.133 0.00 0.00 SOLV ATOM 26179 OH2 TIP3 6729 8.524 17.037 -45.417 0.00 0.00 SOLV ATOM 26180 H1 TIP3 6729 7.681 17.407 -45.133 0.00 0.00 SOLV ATOM 26181 H2 TIP3 6729 8.381 16.077 -45.285 0.00 0.00 SOLV ATOM 26182 OH2 TIP3 6730 -0.768 23.805 -35.286 0.00 0.00 SOLV ATOM 26183 H1 TIP3 6730 -0.852 24.482 -35.953 0.00 0.00 SOLV ATOM 26184 H2 TIP3 6730 -1.305 24.259 -34.573 0.00 0.00 SOLV ATOM 26185 OH2 TIP3 6731 4.314 16.965 -36.036 0.00 0.00 SOLV ATOM 26186 H1 TIP3 6731 3.443 16.626 -35.857 0.00 0.00 SOLV ATOM 26187 H2 TIP3 6731 4.449 16.492 -36.913 0.00 0.00 SOLV ATOM 26188 OH2 TIP3 6732 -23.537 3.956 1.887 0.00 0.00 SOLV ATOM 26189 H1 TIP3 6732 -22.566 3.840 2.070 0.00 0.00 SOLV ATOM 26190 H2 TIP3 6732 -23.562 3.616 0.983 0.00 0.00 SOLV ATOM 26191 OH2 TIP3 6733 -14.667 6.584 -21.374 0.00 0.00 SOLV ATOM 26192 H1 TIP3 6733 -14.872 5.625 -21.308 0.00 0.00 SOLV ATOM 26193 H2 TIP3 6733 -14.489 6.798 -20.470 0.00 0.00 SOLV ATOM 26194 OH2 TIP3 6734 26.923 12.820 -32.221 0.00 0.00 SOLV ATOM 26195 H1 TIP3 6734 26.387 13.404 -32.790 0.00 0.00 SOLV ATOM 26196 H2 TIP3 6734 27.674 13.382 -32.014 0.00 0.00 SOLV ATOM 26197 OH2 TIP3 6735 16.677 18.150 -34.283 0.00 0.00 SOLV ATOM 26198 H1 TIP3 6735 16.349 17.231 -34.068 0.00 0.00 SOLV ATOM 26199 H2 TIP3 6735 17.582 17.946 -34.396 0.00 0.00 SOLV ATOM 26200 OH2 TIP3 6736 10.073 20.226 7.358 0.00 0.00 SOLV ATOM 26201 H1 TIP3 6736 10.507 19.390 7.104 0.00 0.00 SOLV ATOM 26202 H2 TIP3 6736 10.248 20.197 8.344 0.00 0.00 SOLV ATOM 26203 OH2 TIP3 6737 13.954 13.282 17.996 0.00 0.00 SOLV ATOM 26204 H1 TIP3 6737 13.929 13.177 17.000 0.00 0.00 SOLV ATOM 26205 H2 TIP3 6737 13.529 12.417 18.349 0.00 0.00 SOLV ATOM 26206 OH2 TIP3 6738 -2.828 18.009 -44.104 0.00 0.00 SOLV ATOM 26207 H1 TIP3 6738 -3.037 18.920 -44.047 0.00 0.00 SOLV ATOM 26208 H2 TIP3 6738 -3.785 17.656 -44.166 0.00 0.00 SOLV ATOM 26209 OH2 TIP3 6739 3.277 20.249 -11.040 0.00 0.00 SOLV ATOM 26210 H1 TIP3 6739 3.138 19.734 -11.830 0.00 0.00 SOLV ATOM 26211 H2 TIP3 6739 2.446 20.676 -10.846 0.00 0.00 SOLV ATOM 26212 OH2 TIP3 6740 9.331 32.667 -32.481 0.00 0.00 SOLV ATOM 26213 H1 TIP3 6740 8.890 32.273 -31.683 0.00 0.00 SOLV ATOM 26214 H2 TIP3 6740 8.592 32.709 -33.125 0.00 0.00 SOLV ATOM 26215 OH2 TIP3 6741 16.933 22.100 -15.524 0.00 0.00 SOLV ATOM 26216 H1 TIP3 6741 17.611 22.696 -15.028 0.00 0.00 SOLV ATOM 26217 H2 TIP3 6741 17.483 21.858 -16.303 0.00 0.00 SOLV ATOM 26218 OH2 TIP3 6742 2.554 26.088 -1.780 0.00 0.00 SOLV ATOM 26219 H1 TIP3 6742 3.324 26.069 -1.204 0.00 0.00 SOLV ATOM 26220 H2 TIP3 6742 1.980 25.476 -1.303 0.00 0.00 SOLV ATOM 26221 OH2 TIP3 6743 19.112 5.125 29.028 0.00 0.00 SOLV ATOM 26222 H1 TIP3 6743 18.846 5.589 29.870 0.00 0.00 SOLV ATOM 26223 H2 TIP3 6743 19.099 5.869 28.383 0.00 0.00 SOLV ATOM 26224 OH2 TIP3 6744 16.967 24.276 1.738 0.00 0.00 SOLV ATOM 26225 H1 TIP3 6744 17.600 24.254 0.993 0.00 0.00 SOLV ATOM 26226 H2 TIP3 6744 16.503 25.130 1.695 0.00 0.00 SOLV ATOM 26227 OH2 TIP3 6745 1.242 23.866 -45.573 0.00 0.00 SOLV ATOM 26228 H1 TIP3 6745 1.771 24.537 -46.142 0.00 0.00 SOLV ATOM 26229 H2 TIP3 6745 1.392 24.095 -44.606 0.00 0.00 SOLV ATOM 26230 OH2 TIP3 6746 14.015 26.684 -42.359 0.00 0.00 SOLV ATOM 26231 H1 TIP3 6746 14.566 27.352 -42.808 0.00 0.00 SOLV ATOM 26232 H2 TIP3 6746 14.323 25.840 -42.759 0.00 0.00 SOLV ATOM 26233 OH2 TIP3 6747 3.134 25.277 -21.890 0.00 0.00 SOLV ATOM 26234 H1 TIP3 6747 3.371 26.224 -21.674 0.00 0.00 SOLV ATOM 26235 H2 TIP3 6747 3.541 24.820 -21.164 0.00 0.00 SOLV ATOM 26236 OH2 TIP3 6748 -1.162 34.429 -22.468 0.00 0.00 SOLV ATOM 26237 H1 TIP3 6748 -1.582 35.354 -22.417 0.00 0.00 SOLV ATOM 26238 H2 TIP3 6748 -0.475 34.542 -23.095 0.00 0.00 SOLV ATOM 26239 OH2 TIP3 6749 6.654 20.737 -35.243 0.00 0.00 SOLV ATOM 26240 H1 TIP3 6749 5.821 20.313 -35.518 0.00 0.00 SOLV ATOM 26241 H2 TIP3 6749 7.067 20.101 -34.587 0.00 0.00 SOLV ATOM 26242 OH2 TIP3 6750 -7.606 31.727 -18.077 0.00 0.00 SOLV ATOM 26243 H1 TIP3 6750 -6.859 31.587 -17.477 0.00 0.00 SOLV ATOM 26244 H2 TIP3 6750 -8.144 30.939 -17.938 0.00 0.00 SOLV ATOM 26245 OH2 TIP3 6751 -7.472 -17.054 -8.917 0.00 0.00 SOLV ATOM 26246 H1 TIP3 6751 -7.140 -17.643 -8.272 0.00 0.00 SOLV ATOM 26247 H2 TIP3 6751 -8.235 -17.599 -9.276 0.00 0.00 SOLV ATOM 26248 OH2 TIP3 6752 0.991 17.136 -19.690 0.00 0.00 SOLV ATOM 26249 H1 TIP3 6752 1.812 17.033 -20.178 0.00 0.00 SOLV ATOM 26250 H2 TIP3 6752 1.109 17.882 -19.119 0.00 0.00 SOLV ATOM 26251 OH2 TIP3 6753 -8.019 23.854 -21.505 0.00 0.00 SOLV ATOM 26252 H1 TIP3 6753 -7.191 23.536 -21.893 0.00 0.00 SOLV ATOM 26253 H2 TIP3 6753 -7.781 24.265 -20.618 0.00 0.00 SOLV ATOM 26254 OH2 TIP3 6754 7.520 22.145 -46.483 0.00 0.00 SOLV ATOM 26255 H1 TIP3 6754 7.791 23.064 -46.057 0.00 0.00 SOLV ATOM 26256 H2 TIP3 6754 6.582 21.996 -46.293 0.00 0.00 SOLV ATOM 26257 OH2 TIP3 6755 2.280 25.834 -43.379 0.00 0.00 SOLV ATOM 26258 H1 TIP3 6755 2.000 26.252 -42.585 0.00 0.00 SOLV ATOM 26259 H2 TIP3 6755 3.048 26.342 -43.603 0.00 0.00 SOLV ATOM 26260 OH2 TIP3 6756 -11.570 36.806 -23.784 0.00 0.00 SOLV ATOM 26261 H1 TIP3 6756 -11.571 37.798 -23.934 0.00 0.00 SOLV ATOM 26262 H2 TIP3 6756 -10.842 36.558 -24.363 0.00 0.00 SOLV ATOM 26263 OH2 TIP3 6757 21.523 21.188 -10.997 0.00 0.00 SOLV ATOM 26264 H1 TIP3 6757 22.286 21.009 -10.470 0.00 0.00 SOLV ATOM 26265 H2 TIP3 6757 20.770 20.894 -10.437 0.00 0.00 SOLV ATOM 26266 OH2 TIP3 6758 4.466 36.337 -31.627 0.00 0.00 SOLV ATOM 26267 H1 TIP3 6758 4.401 35.708 -32.376 0.00 0.00 SOLV ATOM 26268 H2 TIP3 6758 3.580 36.375 -31.327 0.00 0.00 SOLV ATOM 26269 OH2 TIP3 6759 9.969 10.955 -0.973 0.00 0.00 SOLV ATOM 26270 H1 TIP3 6759 9.003 11.027 -1.193 0.00 0.00 SOLV ATOM 26271 H2 TIP3 6759 10.287 10.213 -1.452 0.00 0.00 SOLV ATOM 26272 OH2 TIP3 6760 13.613 23.659 -8.299 0.00 0.00 SOLV ATOM 26273 H1 TIP3 6760 12.801 24.128 -8.616 0.00 0.00 SOLV ATOM 26274 H2 TIP3 6760 13.743 23.004 -9.034 0.00 0.00 SOLV ATOM 26275 OH2 TIP3 6761 11.347 14.861 -6.085 0.00 0.00 SOLV ATOM 26276 H1 TIP3 6761 12.245 14.721 -6.550 0.00 0.00 SOLV ATOM 26277 H2 TIP3 6761 10.947 15.653 -6.545 0.00 0.00 SOLV ATOM 26278 OH2 TIP3 6762 8.168 33.204 -8.754 0.00 0.00 SOLV ATOM 26279 H1 TIP3 6762 7.604 32.770 -9.447 0.00 0.00 SOLV ATOM 26280 H2 TIP3 6762 7.455 33.066 -8.044 0.00 0.00 SOLV ATOM 26281 OH2 TIP3 6763 4.289 27.229 -7.594 0.00 0.00 SOLV ATOM 26282 H1 TIP3 6763 4.014 26.391 -7.961 0.00 0.00 SOLV ATOM 26283 H2 TIP3 6763 3.805 27.911 -8.144 0.00 0.00 SOLV ATOM 26284 OH2 TIP3 6764 14.194 20.740 -6.152 0.00 0.00 SOLV ATOM 26285 H1 TIP3 6764 14.800 20.125 -5.822 0.00 0.00 SOLV ATOM 26286 H2 TIP3 6764 13.575 20.242 -6.644 0.00 0.00 SOLV ATOM 26287 OH2 TIP3 6765 -1.062 4.326 16.926 0.00 0.00 SOLV ATOM 26288 H1 TIP3 6765 -1.632 4.700 17.535 0.00 0.00 SOLV ATOM 26289 H2 TIP3 6765 -0.736 5.136 16.549 0.00 0.00 SOLV ATOM 26290 OH2 TIP3 6766 -6.370 24.543 4.738 0.00 0.00 SOLV ATOM 26291 H1 TIP3 6766 -6.757 24.341 3.850 0.00 0.00 SOLV ATOM 26292 H2 TIP3 6766 -5.572 25.145 4.526 0.00 0.00 SOLV ATOM 26293 OH2 TIP3 6767 2.661 24.380 -24.707 0.00 0.00 SOLV ATOM 26294 H1 TIP3 6767 1.730 24.184 -24.731 0.00 0.00 SOLV ATOM 26295 H2 TIP3 6767 2.738 24.621 -23.750 0.00 0.00 SOLV ATOM 26296 OH2 TIP3 6768 4.009 14.730 -19.699 0.00 0.00 SOLV ATOM 26297 H1 TIP3 6768 4.431 13.848 -19.698 0.00 0.00 SOLV ATOM 26298 H2 TIP3 6768 4.103 15.095 -20.571 0.00 0.00 SOLV ATOM 26299 OH2 TIP3 6769 16.710 27.710 -29.330 0.00 0.00 SOLV ATOM 26300 H1 TIP3 6769 16.491 27.497 -30.273 0.00 0.00 SOLV ATOM 26301 H2 TIP3 6769 16.741 28.718 -29.276 0.00 0.00 SOLV ATOM 26302 OH2 TIP3 6770 2.604 31.677 -30.391 0.00 0.00 SOLV ATOM 26303 H1 TIP3 6770 1.947 31.494 -31.097 0.00 0.00 SOLV ATOM 26304 H2 TIP3 6770 2.869 30.779 -30.011 0.00 0.00 SOLV ATOM 26305 OH2 TIP3 6771 9.706 31.880 -21.880 0.00 0.00 SOLV ATOM 26306 H1 TIP3 6771 10.430 31.407 -21.418 0.00 0.00 SOLV ATOM 26307 H2 TIP3 6771 9.076 31.152 -21.917 0.00 0.00 SOLV ATOM 26308 OH2 TIP3 6772 13.476 28.927 -19.654 0.00 0.00 SOLV ATOM 26309 H1 TIP3 6772 13.866 28.267 -19.067 0.00 0.00 SOLV ATOM 26310 H2 TIP3 6772 13.119 29.592 -19.070 0.00 0.00 SOLV ATOM 26311 OH2 TIP3 6773 3.590 27.337 2.499 0.00 0.00 SOLV ATOM 26312 H1 TIP3 6773 2.765 27.215 2.038 0.00 0.00 SOLV ATOM 26313 H2 TIP3 6773 3.615 28.340 2.438 0.00 0.00 SOLV ATOM 26314 OH2 TIP3 6774 6.196 27.301 3.561 0.00 0.00 SOLV ATOM 26315 H1 TIP3 6774 5.965 27.458 4.516 0.00 0.00 SOLV ATOM 26316 H2 TIP3 6774 5.370 26.900 3.188 0.00 0.00 SOLV ATOM 26317 OH2 TIP3 6775 6.803 5.671 37.806 0.00 0.00 SOLV ATOM 26318 H1 TIP3 6775 6.499 6.525 37.385 0.00 0.00 SOLV ATOM 26319 H2 TIP3 6775 6.073 5.457 38.402 0.00 0.00 SOLV ATOM 26320 OH2 TIP3 6776 -15.405 23.372 0.836 0.00 0.00 SOLV ATOM 26321 H1 TIP3 6776 -15.059 22.722 1.519 0.00 0.00 SOLV ATOM 26322 H2 TIP3 6776 -15.089 22.918 0.072 0.00 0.00 SOLV ATOM 26323 OH2 TIP3 6777 5.085 25.499 -36.637 0.00 0.00 SOLV ATOM 26324 H1 TIP3 6777 4.268 25.720 -37.055 0.00 0.00 SOLV ATOM 26325 H2 TIP3 6777 5.860 25.816 -37.197 0.00 0.00 SOLV ATOM 26326 OH2 TIP3 6778 7.358 35.474 -35.489 0.00 0.00 SOLV ATOM 26327 H1 TIP3 6778 7.100 35.238 -34.566 0.00 0.00 SOLV ATOM 26328 H2 TIP3 6778 7.815 36.344 -35.369 0.00 0.00 SOLV ATOM 26329 OH2 TIP3 6779 7.960 29.066 -36.764 0.00 0.00 SOLV ATOM 26330 H1 TIP3 6779 8.550 28.557 -36.257 0.00 0.00 SOLV ATOM 26331 H2 TIP3 6779 7.585 28.344 -37.288 0.00 0.00 SOLV ATOM 26332 OH2 TIP3 6780 2.146 35.271 -30.250 0.00 0.00 SOLV ATOM 26333 H1 TIP3 6780 2.464 34.680 -30.888 0.00 0.00 SOLV ATOM 26334 H2 TIP3 6780 2.877 35.239 -29.570 0.00 0.00 SOLV ATOM 26335 OH2 TIP3 6781 5.208 15.463 -22.384 0.00 0.00 SOLV ATOM 26336 H1 TIP3 6781 5.867 15.731 -23.003 0.00 0.00 SOLV ATOM 26337 H2 TIP3 6781 5.092 14.506 -22.456 0.00 0.00 SOLV ATOM 26338 OH2 TIP3 6782 23.396 8.885 -13.149 0.00 0.00 SOLV ATOM 26339 H1 TIP3 6782 23.717 8.423 -14.024 0.00 0.00 SOLV ATOM 26340 H2 TIP3 6782 24.049 9.557 -12.932 0.00 0.00 SOLV ATOM 26341 OH2 TIP3 6783 -10.591 17.138 16.753 0.00 0.00 SOLV ATOM 26342 H1 TIP3 6783 -10.629 16.356 17.402 0.00 0.00 SOLV ATOM 26343 H2 TIP3 6783 -10.845 16.812 15.859 0.00 0.00 SOLV ATOM 26344 OH2 TIP3 6784 9.089 6.440 -18.169 0.00 0.00 SOLV ATOM 26345 H1 TIP3 6784 9.872 5.912 -18.607 0.00 0.00 SOLV ATOM 26346 H2 TIP3 6784 8.538 5.730 -17.696 0.00 0.00 SOLV ATOM 26347 OH2 TIP3 6785 7.190 31.747 -34.866 0.00 0.00 SOLV ATOM 26348 H1 TIP3 6785 6.598 31.029 -35.225 0.00 0.00 SOLV ATOM 26349 H2 TIP3 6785 6.655 32.309 -34.318 0.00 0.00 SOLV ATOM 26350 OH2 TIP3 6786 10.149 37.266 -22.928 0.00 0.00 SOLV ATOM 26351 H1 TIP3 6786 9.345 37.812 -22.968 0.00 0.00 SOLV ATOM 26352 H2 TIP3 6786 9.840 36.445 -23.371 0.00 0.00 SOLV ATOM 26353 OH2 TIP3 6787 4.757 31.447 -26.599 0.00 0.00 SOLV ATOM 26354 H1 TIP3 6787 3.926 31.608 -27.021 0.00 0.00 SOLV ATOM 26355 H2 TIP3 6787 5.316 32.138 -27.008 0.00 0.00 SOLV ATOM 26356 OH2 TIP3 6788 27.605 23.439 -20.852 0.00 0.00 SOLV ATOM 26357 H1 TIP3 6788 28.286 24.125 -20.897 0.00 0.00 SOLV ATOM 26358 H2 TIP3 6788 28.039 22.603 -20.637 0.00 0.00 SOLV ATOM 26359 OH2 TIP3 6789 -14.899 23.092 -13.259 0.00 0.00 SOLV ATOM 26360 H1 TIP3 6789 -15.502 22.461 -12.879 0.00 0.00 SOLV ATOM 26361 H2 TIP3 6789 -14.173 22.587 -13.708 0.00 0.00 SOLV ATOM 26362 OH2 TIP3 6790 29.157 1.921 -15.475 0.00 0.00 SOLV ATOM 26363 H1 TIP3 6790 28.511 1.254 -15.247 0.00 0.00 SOLV ATOM 26364 H2 TIP3 6790 28.558 2.642 -15.774 0.00 0.00 SOLV ATOM 26365 OH2 TIP3 6791 -9.342 26.928 -11.689 0.00 0.00 SOLV ATOM 26366 H1 TIP3 6791 -9.505 26.020 -11.542 0.00 0.00 SOLV ATOM 26367 H2 TIP3 6791 -8.369 26.990 -11.572 0.00 0.00 SOLV ATOM 26368 OH2 TIP3 6792 3.975 33.139 -12.076 0.00 0.00 SOLV ATOM 26369 H1 TIP3 6792 4.426 33.185 -12.907 0.00 0.00 SOLV ATOM 26370 H2 TIP3 6792 3.233 32.603 -12.389 0.00 0.00 SOLV ATOM 26371 OH2 TIP3 6793 11.257 29.182 -2.716 0.00 0.00 SOLV ATOM 26372 H1 TIP3 6793 10.849 29.031 -1.797 0.00 0.00 SOLV ATOM 26373 H2 TIP3 6793 10.535 29.590 -3.182 0.00 0.00 SOLV ATOM 26374 OH2 TIP3 6794 0.777 32.517 -35.380 0.00 0.00 SOLV ATOM 26375 H1 TIP3 6794 0.375 33.431 -35.567 0.00 0.00 SOLV ATOM 26376 H2 TIP3 6794 1.763 32.677 -35.464 0.00 0.00 SOLV ATOM 26377 OH2 TIP3 6795 5.702 30.833 -40.327 0.00 0.00 SOLV ATOM 26378 H1 TIP3 6795 6.452 31.072 -39.778 0.00 0.00 SOLV ATOM 26379 H2 TIP3 6795 5.037 31.552 -40.095 0.00 0.00 SOLV ATOM 26380 OH2 TIP3 6796 1.004 31.336 -32.919 0.00 0.00 SOLV ATOM 26381 H1 TIP3 6796 1.800 30.956 -33.275 0.00 0.00 SOLV ATOM 26382 H2 TIP3 6796 0.451 31.622 -33.662 0.00 0.00 SOLV ATOM 26383 OH2 TIP3 6797 14.302 31.107 -33.201 0.00 0.00 SOLV ATOM 26384 H1 TIP3 6797 14.614 30.352 -33.635 0.00 0.00 SOLV ATOM 26385 H2 TIP3 6797 13.387 31.197 -33.529 0.00 0.00 SOLV ATOM 26386 OH2 TIP3 6798 -6.924 32.238 -20.785 0.00 0.00 SOLV ATOM 26387 H1 TIP3 6798 -7.283 32.002 -19.963 0.00 0.00 SOLV ATOM 26388 H2 TIP3 6798 -5.983 31.967 -20.777 0.00 0.00 SOLV ATOM 26389 OH2 TIP3 6799 17.427 19.714 -38.113 0.00 0.00 SOLV ATOM 26390 H1 TIP3 6799 18.094 19.104 -37.775 0.00 0.00 SOLV ATOM 26391 H2 TIP3 6799 17.430 19.604 -39.089 0.00 0.00 SOLV ATOM 26392 OH2 TIP3 6800 -1.431 28.220 -0.509 0.00 0.00 SOLV ATOM 26393 H1 TIP3 6800 -0.975 28.943 -0.959 0.00 0.00 SOLV ATOM 26394 H2 TIP3 6800 -2.348 28.371 -0.882 0.00 0.00 SOLV ATOM 26395 OH2 TIP3 6801 11.540 34.888 -27.416 0.00 0.00 SOLV ATOM 26396 H1 TIP3 6801 11.673 34.222 -28.147 0.00 0.00 SOLV ATOM 26397 H2 TIP3 6801 12.256 35.542 -27.577 0.00 0.00 SOLV ATOM 26398 OH2 TIP3 6802 10.883 33.991 -17.735 0.00 0.00 SOLV ATOM 26399 H1 TIP3 6802 11.520 34.705 -17.629 0.00 0.00 SOLV ATOM 26400 H2 TIP3 6802 11.203 33.530 -18.581 0.00 0.00 SOLV ATOM 26401 OH2 TIP3 6803 6.371 32.272 2.011 0.00 0.00 SOLV ATOM 26402 H1 TIP3 6803 6.634 33.016 2.530 0.00 0.00 SOLV ATOM 26403 H2 TIP3 6803 6.995 31.619 2.292 0.00 0.00 SOLV ATOM 26404 OH2 TIP3 6804 10.162 36.724 -29.208 0.00 0.00 SOLV ATOM 26405 H1 TIP3 6804 10.332 36.201 -30.005 0.00 0.00 SOLV ATOM 26406 H2 TIP3 6804 10.756 36.282 -28.514 0.00 0.00 SOLV ATOM 26407 OH2 TIP3 6805 0.264 37.963 -7.826 0.00 0.00 SOLV ATOM 26408 H1 TIP3 6805 0.051 38.815 -7.411 0.00 0.00 SOLV ATOM 26409 H2 TIP3 6805 1.165 38.151 -8.127 0.00 0.00 SOLV ATOM 26410 OH2 TIP3 6806 1.534 37.201 -12.462 0.00 0.00 SOLV ATOM 26411 H1 TIP3 6806 0.653 37.503 -12.265 0.00 0.00 SOLV ATOM 26412 H2 TIP3 6806 1.888 36.972 -11.605 0.00 0.00 SOLV ATOM 26413 OH2 TIP3 6807 7.564 23.083 -38.569 0.00 0.00 SOLV ATOM 26414 H1 TIP3 6807 7.506 23.844 -39.138 0.00 0.00 SOLV ATOM 26415 H2 TIP3 6807 8.435 22.628 -38.755 0.00 0.00 SOLV ATOM 26416 OH2 TIP3 6808 15.386 23.780 -29.171 0.00 0.00 SOLV ATOM 26417 H1 TIP3 6808 14.983 23.633 -30.016 0.00 0.00 SOLV ATOM 26418 H2 TIP3 6808 14.817 23.333 -28.596 0.00 0.00 SOLV ATOM 26419 OH2 TIP3 6809 8.903 -11.430 -11.619 0.00 0.00 SOLV ATOM 26420 H1 TIP3 6809 9.399 -11.585 -12.418 0.00 0.00 SOLV ATOM 26421 H2 TIP3 6809 9.577 -11.623 -10.905 0.00 0.00 SOLV ATOM 26422 OH2 TIP3 6810 -3.922 31.210 -0.972 0.00 0.00 SOLV ATOM 26423 H1 TIP3 6810 -4.439 32.020 -0.915 0.00 0.00 SOLV ATOM 26424 H2 TIP3 6810 -3.025 31.486 -0.719 0.00 0.00 SOLV ATOM 26425 OH2 TIP3 6811 -2.333 19.358 -39.377 0.00 0.00 SOLV ATOM 26426 H1 TIP3 6811 -2.939 19.914 -39.934 0.00 0.00 SOLV ATOM 26427 H2 TIP3 6811 -2.776 19.377 -38.502 0.00 0.00 SOLV ATOM 26428 OH2 TIP3 6812 -2.943 20.533 -34.355 0.00 0.00 SOLV ATOM 26429 H1 TIP3 6812 -3.826 20.198 -34.671 0.00 0.00 SOLV ATOM 26430 H2 TIP3 6812 -2.511 19.781 -33.841 0.00 0.00 SOLV ATOM 26431 OH2 TIP3 6813 -15.569 21.640 -31.967 0.00 0.00 SOLV ATOM 26432 H1 TIP3 6813 -15.314 22.537 -32.329 0.00 0.00 SOLV ATOM 26433 H2 TIP3 6813 -15.345 21.685 -31.022 0.00 0.00 SOLV ATOM 26434 OH2 TIP3 6814 15.071 18.338 -40.849 0.00 0.00 SOLV ATOM 26435 H1 TIP3 6814 15.442 17.622 -40.239 0.00 0.00 SOLV ATOM 26436 H2 TIP3 6814 14.441 17.837 -41.397 0.00 0.00 SOLV ATOM 26437 OH2 TIP3 6815 -3.751 8.893 -32.149 0.00 0.00 SOLV ATOM 26438 H1 TIP3 6815 -3.077 9.414 -32.601 0.00 0.00 SOLV ATOM 26439 H2 TIP3 6815 -3.735 8.035 -32.572 0.00 0.00 SOLV ATOM 26440 OH2 TIP3 6816 16.007 23.845 -31.885 0.00 0.00 SOLV ATOM 26441 H1 TIP3 6816 16.710 24.094 -32.457 0.00 0.00 SOLV ATOM 26442 H2 TIP3 6816 15.558 23.317 -32.577 0.00 0.00 SOLV ATOM 26443 OH2 TIP3 6817 -8.196 25.367 -1.540 0.00 0.00 SOLV ATOM 26444 H1 TIP3 6817 -8.242 25.730 -2.355 0.00 0.00 SOLV ATOM 26445 H2 TIP3 6817 -8.351 26.077 -0.994 0.00 0.00 SOLV ATOM 26446 OH2 TIP3 6818 4.873 27.022 -43.228 0.00 0.00 SOLV ATOM 26447 H1 TIP3 6818 4.997 27.933 -43.052 0.00 0.00 SOLV ATOM 26448 H2 TIP3 6818 5.653 26.754 -43.735 0.00 0.00 SOLV ATOM 26449 OH2 TIP3 6819 14.804 22.678 -41.148 0.00 0.00 SOLV ATOM 26450 H1 TIP3 6819 15.115 22.339 -41.950 0.00 0.00 SOLV ATOM 26451 H2 TIP3 6819 13.875 22.449 -41.169 0.00 0.00 SOLV ATOM 26452 OH2 TIP3 6820 12.417 23.006 -33.188 0.00 0.00 SOLV ATOM 26453 H1 TIP3 6820 12.371 22.617 -32.298 0.00 0.00 SOLV ATOM 26454 H2 TIP3 6820 13.318 22.708 -33.456 0.00 0.00 SOLV ATOM 26455 OH2 TIP3 6821 7.290 24.637 -24.800 0.00 0.00 SOLV ATOM 26456 H1 TIP3 6821 6.692 23.893 -24.827 0.00 0.00 SOLV ATOM 26457 H2 TIP3 6821 6.607 25.393 -24.758 0.00 0.00 SOLV ATOM 26458 OH2 TIP3 6822 10.944 16.603 -14.307 0.00 0.00 SOLV ATOM 26459 H1 TIP3 6822 10.489 16.594 -15.161 0.00 0.00 SOLV ATOM 26460 H2 TIP3 6822 11.933 16.581 -14.489 0.00 0.00 SOLV ATOM 26461 OH2 TIP3 6823 6.240 -11.956 -10.975 0.00 0.00 SOLV ATOM 26462 H1 TIP3 6823 6.050 -12.135 -11.943 0.00 0.00 SOLV ATOM 26463 H2 TIP3 6823 7.260 -11.913 -10.912 0.00 0.00 SOLV ATOM 26464 OH2 TIP3 6824 10.602 5.256 3.395 0.00 0.00 SOLV ATOM 26465 H1 TIP3 6824 11.095 5.913 2.848 0.00 0.00 SOLV ATOM 26466 H2 TIP3 6824 11.123 4.416 3.199 0.00 0.00 SOLV ATOM 26467 OH2 TIP3 6825 0.894 24.968 6.249 0.00 0.00 SOLV ATOM 26468 H1 TIP3 6825 0.195 25.212 6.782 0.00 0.00 SOLV ATOM 26469 H2 TIP3 6825 0.720 25.525 5.442 0.00 0.00 SOLV ATOM 26470 OH2 TIP3 6826 3.408 32.766 -24.578 0.00 0.00 SOLV ATOM 26471 H1 TIP3 6826 3.703 32.271 -23.834 0.00 0.00 SOLV ATOM 26472 H2 TIP3 6826 3.846 32.253 -25.296 0.00 0.00 SOLV ATOM 26473 OH2 TIP3 6827 4.659 29.566 -36.350 0.00 0.00 SOLV ATOM 26474 H1 TIP3 6827 5.349 29.131 -36.872 0.00 0.00 SOLV ATOM 26475 H2 TIP3 6827 3.979 29.853 -36.997 0.00 0.00 SOLV ATOM 26476 OH2 TIP3 6828 4.448 25.963 -30.182 0.00 0.00 SOLV ATOM 26477 H1 TIP3 6828 3.825 26.083 -30.931 0.00 0.00 SOLV ATOM 26478 H2 TIP3 6828 5.164 25.472 -30.570 0.00 0.00 SOLV ATOM 26479 OH2 TIP3 6829 23.820 28.599 -11.714 0.00 0.00 SOLV ATOM 26480 H1 TIP3 6829 22.987 28.115 -11.872 0.00 0.00 SOLV ATOM 26481 H2 TIP3 6829 23.501 29.552 -11.714 0.00 0.00 SOLV ATOM 26482 OH2 TIP3 6830 15.728 25.239 -4.320 0.00 0.00 SOLV ATOM 26483 H1 TIP3 6830 14.978 25.397 -4.951 0.00 0.00 SOLV ATOM 26484 H2 TIP3 6830 15.952 24.259 -4.452 0.00 0.00 SOLV ATOM 26485 OH2 TIP3 6831 7.257 24.165 -8.346 0.00 0.00 SOLV ATOM 26486 H1 TIP3 6831 7.610 23.252 -8.203 0.00 0.00 SOLV ATOM 26487 H2 TIP3 6831 7.334 24.271 -9.331 0.00 0.00 SOLV ATOM 26488 OH2 TIP3 6832 -5.434 28.981 6.611 0.00 0.00 SOLV ATOM 26489 H1 TIP3 6832 -6.307 29.380 6.615 0.00 0.00 SOLV ATOM 26490 H2 TIP3 6832 -5.518 28.108 7.020 0.00 0.00 SOLV ATOM 26491 OH2 TIP3 6833 -3.976 29.986 -3.584 0.00 0.00 SOLV ATOM 26492 H1 TIP3 6833 -4.005 30.357 -2.686 0.00 0.00 SOLV ATOM 26493 H2 TIP3 6833 -3.364 30.513 -4.103 0.00 0.00 SOLV ATOM 26494 OH2 TIP3 6834 7.778 19.354 -32.803 0.00 0.00 SOLV ATOM 26495 H1 TIP3 6834 7.220 18.536 -32.709 0.00 0.00 SOLV ATOM 26496 H2 TIP3 6834 7.785 19.708 -31.944 0.00 0.00 SOLV ATOM 26497 OH2 TIP3 6835 13.741 17.768 4.564 0.00 0.00 SOLV ATOM 26498 H1 TIP3 6835 13.255 17.587 3.779 0.00 0.00 SOLV ATOM 26499 H2 TIP3 6835 13.270 18.613 4.887 0.00 0.00 SOLV ATOM 26500 OH2 TIP3 6836 11.240 17.957 -40.262 0.00 0.00 SOLV ATOM 26501 H1 TIP3 6836 11.588 17.503 -39.501 0.00 0.00 SOLV ATOM 26502 H2 TIP3 6836 10.613 18.549 -39.850 0.00 0.00 SOLV ATOM 26503 OH2 TIP3 6837 -4.286 26.350 -28.364 0.00 0.00 SOLV ATOM 26504 H1 TIP3 6837 -3.864 27.234 -28.266 0.00 0.00 SOLV ATOM 26505 H2 TIP3 6837 -4.385 26.307 -29.321 0.00 0.00 SOLV ATOM 26506 OH2 TIP3 6838 6.528 27.719 -33.006 0.00 0.00 SOLV ATOM 26507 H1 TIP3 6838 6.591 26.980 -32.481 0.00 0.00 SOLV ATOM 26508 H2 TIP3 6838 7.398 27.691 -33.383 0.00 0.00 SOLV ATOM 26509 OH2 TIP3 6839 7.426 24.198 -15.028 0.00 0.00 SOLV ATOM 26510 H1 TIP3 6839 7.155 24.817 -14.333 0.00 0.00 SOLV ATOM 26511 H2 TIP3 6839 6.651 23.823 -15.359 0.00 0.00 SOLV ATOM 26512 OH2 TIP3 6840 6.358 27.351 -22.304 0.00 0.00 SOLV ATOM 26513 H1 TIP3 6840 7.317 27.124 -22.300 0.00 0.00 SOLV ATOM 26514 H2 TIP3 6840 6.028 27.085 -23.137 0.00 0.00 SOLV ATOM 26515 OH2 TIP3 6841 -18.793 0.932 -4.308 0.00 0.00 SOLV ATOM 26516 H1 TIP3 6841 -19.697 1.113 -3.884 0.00 0.00 SOLV ATOM 26517 H2 TIP3 6841 -18.248 1.724 -3.960 0.00 0.00 SOLV ATOM 26518 OH2 TIP3 6842 -14.612 3.281 -16.969 0.00 0.00 SOLV ATOM 26519 H1 TIP3 6842 -15.313 2.690 -17.347 0.00 0.00 SOLV ATOM 26520 H2 TIP3 6842 -13.808 2.778 -17.169 0.00 0.00 SOLV ATOM 26521 OH2 TIP3 6843 3.709 27.976 -21.066 0.00 0.00 SOLV ATOM 26522 H1 TIP3 6843 4.576 27.976 -21.531 0.00 0.00 SOLV ATOM 26523 H2 TIP3 6843 3.822 28.525 -20.262 0.00 0.00 SOLV ATOM 26524 OH2 TIP3 6844 8.618 26.663 2.230 0.00 0.00 SOLV ATOM 26525 H1 TIP3 6844 7.642 26.684 2.323 0.00 0.00 SOLV ATOM 26526 H2 TIP3 6844 8.879 26.359 3.129 0.00 0.00 SOLV ATOM 26527 OH2 TIP3 6845 1.065 27.927 1.000 0.00 0.00 SOLV ATOM 26528 H1 TIP3 6845 0.290 27.727 0.466 0.00 0.00 SOLV ATOM 26529 H2 TIP3 6845 0.714 27.894 1.912 0.00 0.00 SOLV ATOM 26530 OH2 TIP3 6846 8.633 32.836 -1.008 0.00 0.00 SOLV ATOM 26531 H1 TIP3 6846 7.794 32.380 -0.781 0.00 0.00 SOLV ATOM 26532 H2 TIP3 6846 8.490 33.760 -0.703 0.00 0.00 SOLV ATOM 26533 OH2 TIP3 6847 2.382 27.408 -26.416 0.00 0.00 SOLV ATOM 26534 H1 TIP3 6847 1.833 26.659 -26.114 0.00 0.00 SOLV ATOM 26535 H2 TIP3 6847 3.036 26.924 -26.927 0.00 0.00 SOLV ATOM 26536 OH2 TIP3 6848 9.827 27.573 -35.557 0.00 0.00 SOLV ATOM 26537 H1 TIP3 6848 10.483 27.337 -36.225 0.00 0.00 SOLV ATOM 26538 H2 TIP3 6848 9.743 26.691 -35.138 0.00 0.00 SOLV ATOM 26539 OH2 TIP3 6849 12.806 27.861 -26.439 0.00 0.00 SOLV ATOM 26540 H1 TIP3 6849 13.520 27.341 -26.874 0.00 0.00 SOLV ATOM 26541 H2 TIP3 6849 13.197 28.738 -26.504 0.00 0.00 SOLV ATOM 26542 OH2 TIP3 6850 9.913 19.461 -34.340 0.00 0.00 SOLV ATOM 26543 H1 TIP3 6850 9.863 19.075 -35.204 0.00 0.00 SOLV ATOM 26544 H2 TIP3 6850 9.067 19.233 -33.935 0.00 0.00 SOLV ATOM 26545 OH2 TIP3 6851 10.630 21.006 -15.088 0.00 0.00 SOLV ATOM 26546 H1 TIP3 6851 10.884 21.850 -14.792 0.00 0.00 SOLV ATOM 26547 H2 TIP3 6851 11.344 20.692 -15.636 0.00 0.00 SOLV ATOM 26548 OH2 TIP3 6852 8.712 32.529 -16.583 0.00 0.00 SOLV ATOM 26549 H1 TIP3 6852 9.400 32.869 -17.109 0.00 0.00 SOLV ATOM 26550 H2 TIP3 6852 8.900 33.007 -15.755 0.00 0.00 SOLV ATOM 26551 OH2 TIP3 6853 -5.867 25.310 -23.163 0.00 0.00 SOLV ATOM 26552 H1 TIP3 6853 -6.020 25.896 -23.898 0.00 0.00 SOLV ATOM 26553 H2 TIP3 6853 -5.056 25.742 -22.760 0.00 0.00 SOLV ATOM 26554 OH2 TIP3 6854 5.735 16.844 15.525 0.00 0.00 SOLV ATOM 26555 H1 TIP3 6854 6.087 16.157 14.947 0.00 0.00 SOLV ATOM 26556 H2 TIP3 6854 6.050 16.512 16.392 0.00 0.00 SOLV ATOM 26557 OH2 TIP3 6855 6.308 29.027 6.289 0.00 0.00 SOLV ATOM 26558 H1 TIP3 6855 5.428 28.538 6.172 0.00 0.00 SOLV ATOM 26559 H2 TIP3 6855 6.856 28.279 6.705 0.00 0.00 SOLV ATOM 26560 OH2 TIP3 6856 -0.739 16.197 8.228 0.00 0.00 SOLV ATOM 26561 H1 TIP3 6856 0.087 16.577 8.547 0.00 0.00 SOLV ATOM 26562 H2 TIP3 6856 -0.586 15.243 8.187 0.00 0.00 SOLV ATOM 26563 OH2 TIP3 6857 -5.653 21.148 -28.228 0.00 0.00 SOLV ATOM 26564 H1 TIP3 6857 -5.072 21.747 -28.717 0.00 0.00 SOLV ATOM 26565 H2 TIP3 6857 -5.174 20.352 -28.306 0.00 0.00 SOLV ATOM 26566 OH2 TIP3 6858 10.437 30.001 -24.031 0.00 0.00 SOLV ATOM 26567 H1 TIP3 6858 9.873 30.018 -24.818 0.00 0.00 SOLV ATOM 26568 H2 TIP3 6858 10.534 30.969 -23.782 0.00 0.00 SOLV ATOM 26569 OH2 TIP3 6859 8.746 33.153 -26.529 0.00 0.00 SOLV ATOM 26570 H1 TIP3 6859 9.649 33.175 -26.821 0.00 0.00 SOLV ATOM 26571 H2 TIP3 6859 8.699 32.389 -25.871 0.00 0.00 SOLV ATOM 26572 OH2 TIP3 6860 9.622 33.240 -12.705 0.00 0.00 SOLV ATOM 26573 H1 TIP3 6860 9.254 34.185 -12.724 0.00 0.00 SOLV ATOM 26574 H2 TIP3 6860 8.915 32.688 -13.085 0.00 0.00 SOLV ATOM 26575 OH2 TIP3 6861 -8.082 17.855 -24.539 0.00 0.00 SOLV ATOM 26576 H1 TIP3 6861 -8.072 18.805 -24.511 0.00 0.00 SOLV ATOM 26577 H2 TIP3 6861 -7.403 17.603 -25.177 0.00 0.00 SOLV ATOM 26578 OH2 TIP3 6862 11.482 24.858 -9.602 0.00 0.00 SOLV ATOM 26579 H1 TIP3 6862 10.693 25.199 -9.109 0.00 0.00 SOLV ATOM 26580 H2 TIP3 6862 11.159 24.177 -10.221 0.00 0.00 SOLV ATOM 26581 OH2 TIP3 6863 5.487 32.666 -0.436 0.00 0.00 SOLV ATOM 26582 H1 TIP3 6863 5.719 32.521 0.503 0.00 0.00 SOLV ATOM 26583 H2 TIP3 6863 5.254 33.599 -0.486 0.00 0.00 SOLV ATOM 26584 OH2 TIP3 6864 -4.822 33.352 -13.823 0.00 0.00 SOLV ATOM 26585 H1 TIP3 6864 -4.657 34.134 -13.302 0.00 0.00 SOLV ATOM 26586 H2 TIP3 6864 -5.792 33.376 -13.788 0.00 0.00 SOLV ATOM 26587 OH2 TIP3 6865 15.322 25.241 -1.054 0.00 0.00 SOLV ATOM 26588 H1 TIP3 6865 14.990 24.409 -0.678 0.00 0.00 SOLV ATOM 26589 H2 TIP3 6865 15.216 25.105 -2.014 0.00 0.00 SOLV ATOM 26590 OH2 TIP3 6866 1.113 34.102 -6.790 0.00 0.00 SOLV ATOM 26591 H1 TIP3 6866 0.154 34.181 -6.973 0.00 0.00 SOLV ATOM 26592 H2 TIP3 6866 1.108 33.594 -5.975 0.00 0.00 SOLV ATOM 26593 OH2 TIP3 6867 3.859 25.200 4.177 0.00 0.00 SOLV ATOM 26594 H1 TIP3 6867 3.642 25.893 3.490 0.00 0.00 SOLV ATOM 26595 H2 TIP3 6867 3.609 24.318 3.813 0.00 0.00 SOLV ATOM 26596 OH2 TIP3 6868 -1.101 21.386 -36.332 0.00 0.00 SOLV ATOM 26597 H1 TIP3 6868 -1.705 20.848 -35.867 0.00 0.00 SOLV ATOM 26598 H2 TIP3 6868 -0.734 21.914 -35.632 0.00 0.00 SOLV ATOM 26599 OH2 TIP3 6869 0.154 20.254 -41.322 0.00 0.00 SOLV ATOM 26600 H1 TIP3 6869 0.131 20.989 -40.775 0.00 0.00 SOLV ATOM 26601 H2 TIP3 6869 0.703 19.568 -40.838 0.00 0.00 SOLV ATOM 26602 OH2 TIP3 6870 2.020 30.141 -37.818 0.00 0.00 SOLV ATOM 26603 H1 TIP3 6870 1.145 29.939 -37.959 0.00 0.00 SOLV ATOM 26604 H2 TIP3 6870 2.070 31.121 -37.995 0.00 0.00 SOLV ATOM 26605 OH2 TIP3 6871 14.602 24.965 -39.586 0.00 0.00 SOLV ATOM 26606 H1 TIP3 6871 14.304 25.697 -40.150 0.00 0.00 SOLV ATOM 26607 H2 TIP3 6871 14.802 24.351 -40.310 0.00 0.00 SOLV ATOM 26608 OH2 TIP3 6872 3.015 21.025 -34.117 0.00 0.00 SOLV ATOM 26609 H1 TIP3 6872 3.555 20.626 -34.769 0.00 0.00 SOLV ATOM 26610 H2 TIP3 6872 3.558 21.667 -33.668 0.00 0.00 SOLV ATOM 26611 OH2 TIP3 6873 6.729 30.863 -7.461 0.00 0.00 SOLV ATOM 26612 H1 TIP3 6873 7.369 30.177 -7.791 0.00 0.00 SOLV ATOM 26613 H2 TIP3 6873 6.012 30.830 -8.161 0.00 0.00 SOLV ATOM 26614 OH2 TIP3 6874 -0.923 25.527 1.132 0.00 0.00 SOLV ATOM 26615 H1 TIP3 6874 -1.017 24.713 0.614 0.00 0.00 SOLV ATOM 26616 H2 TIP3 6874 -1.347 26.140 0.486 0.00 0.00 SOLV ATOM 26617 OH2 TIP3 6875 2.247 34.026 -0.172 0.00 0.00 SOLV ATOM 26618 H1 TIP3 6875 1.805 33.425 0.456 0.00 0.00 SOLV ATOM 26619 H2 TIP3 6875 1.523 34.250 -0.729 0.00 0.00 SOLV ATOM 26620 OH2 TIP3 6876 0.710 32.688 1.502 0.00 0.00 SOLV ATOM 26621 H1 TIP3 6876 -0.266 32.656 1.553 0.00 0.00 SOLV ATOM 26622 H2 TIP3 6876 1.069 31.886 2.045 0.00 0.00 SOLV ATOM 26623 OH2 TIP3 6877 9.841 26.261 -0.190 0.00 0.00 SOLV ATOM 26624 H1 TIP3 6877 10.725 26.624 -0.272 0.00 0.00 SOLV ATOM 26625 H2 TIP3 6877 9.542 26.406 0.740 0.00 0.00 SOLV ATOM 26626 OH2 TIP3 6878 9.955 27.421 -9.285 0.00 0.00 SOLV ATOM 26627 H1 TIP3 6878 10.488 27.411 -8.509 0.00 0.00 SOLV ATOM 26628 H2 TIP3 6878 9.180 27.900 -8.992 0.00 0.00 SOLV ATOM 26629 OH2 TIP3 6879 22.698 15.919 -14.574 0.00 0.00 SOLV ATOM 26630 H1 TIP3 6879 23.042 16.809 -14.435 0.00 0.00 SOLV ATOM 26631 H2 TIP3 6879 23.289 15.454 -15.183 0.00 0.00 SOLV ATOM 26632 OH2 TIP3 6880 -13.411 32.350 -10.669 0.00 0.00 SOLV ATOM 26633 H1 TIP3 6880 -14.235 32.521 -10.108 0.00 0.00 SOLV ATOM 26634 H2 TIP3 6880 -13.435 31.442 -10.992 0.00 0.00 SOLV ATOM 26635 OH2 TIP3 6881 -7.297 37.142 -8.101 0.00 0.00 SOLV ATOM 26636 H1 TIP3 6881 -7.917 37.549 -7.396 0.00 0.00 SOLV ATOM 26637 H2 TIP3 6881 -7.374 36.194 -7.955 0.00 0.00 SOLV ATOM 26638 OH2 TIP3 6882 -11.034 26.372 -24.114 0.00 0.00 SOLV ATOM 26639 H1 TIP3 6882 -10.941 26.648 -25.074 0.00 0.00 SOLV ATOM 26640 H2 TIP3 6882 -11.066 25.447 -24.182 0.00 0.00 SOLV ATOM 26641 OH2 TIP3 6883 3.540 31.649 -2.613 0.00 0.00 SOLV ATOM 26642 H1 TIP3 6883 3.543 32.092 -1.738 0.00 0.00 SOLV ATOM 26643 H2 TIP3 6883 4.442 31.598 -2.841 0.00 0.00 SOLV ATOM 26644 OH2 TIP3 6884 11.285 25.770 -39.143 0.00 0.00 SOLV ATOM 26645 H1 TIP3 6884 11.603 26.125 -38.291 0.00 0.00 SOLV ATOM 26646 H2 TIP3 6884 11.272 24.783 -39.011 0.00 0.00 SOLV ATOM 26647 OH2 TIP3 6885 22.076 29.525 -29.451 0.00 0.00 SOLV ATOM 26648 H1 TIP3 6885 22.575 28.742 -29.783 0.00 0.00 SOLV ATOM 26649 H2 TIP3 6885 21.804 29.363 -28.558 0.00 0.00 SOLV ATOM 26650 OH2 TIP3 6886 -0.500 33.086 -11.752 0.00 0.00 SOLV ATOM 26651 H1 TIP3 6886 0.048 33.253 -11.004 0.00 0.00 SOLV ATOM 26652 H2 TIP3 6886 -1.309 33.427 -11.405 0.00 0.00 SOLV ATOM 26653 OH2 TIP3 6887 11.257 27.065 -6.729 0.00 0.00 SOLV ATOM 26654 H1 TIP3 6887 11.537 28.003 -6.482 0.00 0.00 SOLV ATOM 26655 H2 TIP3 6887 10.716 26.808 -6.018 0.00 0.00 SOLV ATOM 26656 OH2 TIP3 6888 -9.289 21.138 3.978 0.00 0.00 SOLV ATOM 26657 H1 TIP3 6888 -8.605 20.834 3.404 0.00 0.00 SOLV ATOM 26658 H2 TIP3 6888 -9.252 22.049 3.877 0.00 0.00 SOLV ATOM 26659 OH2 TIP3 6889 3.287 30.698 5.194 0.00 0.00 SOLV ATOM 26660 H1 TIP3 6889 3.570 30.682 4.298 0.00 0.00 SOLV ATOM 26661 H2 TIP3 6889 3.119 29.753 5.368 0.00 0.00 SOLV ATOM 26662 OH2 TIP3 6890 1.661 36.563 -27.428 0.00 0.00 SOLV ATOM 26663 H1 TIP3 6890 2.353 35.902 -27.645 0.00 0.00 SOLV ATOM 26664 H2 TIP3 6890 1.108 36.089 -26.792 0.00 0.00 SOLV ATOM 26665 OH2 TIP3 6891 -9.841 37.144 -17.916 0.00 0.00 SOLV ATOM 26666 H1 TIP3 6891 -10.549 36.690 -18.414 0.00 0.00 SOLV ATOM 26667 H2 TIP3 6891 -10.205 37.384 -17.104 0.00 0.00 SOLV ATOM 26668 OH2 TIP3 6892 -0.913 34.228 -17.729 0.00 0.00 SOLV ATOM 26669 H1 TIP3 6892 -0.222 34.938 -17.615 0.00 0.00 SOLV ATOM 26670 H2 TIP3 6892 -0.581 33.783 -18.512 0.00 0.00 SOLV ATOM 26671 OH2 TIP3 6893 2.557 36.306 -22.603 0.00 0.00 SOLV ATOM 26672 H1 TIP3 6893 1.597 36.458 -22.413 0.00 0.00 SOLV ATOM 26673 H2 TIP3 6893 2.685 36.005 -23.532 0.00 0.00 SOLV ATOM 26674 OH2 TIP3 6894 -1.967 37.148 -15.720 0.00 0.00 SOLV ATOM 26675 H1 TIP3 6894 -1.268 37.545 -16.266 0.00 0.00 SOLV ATOM 26676 H2 TIP3 6894 -2.753 37.191 -16.301 0.00 0.00 SOLV ATOM 26677 OH2 TIP3 6895 4.863 31.899 -14.870 0.00 0.00 SOLV ATOM 26678 H1 TIP3 6895 4.916 31.046 -15.336 0.00 0.00 SOLV ATOM 26679 H2 TIP3 6895 4.081 32.374 -15.287 0.00 0.00 SOLV ATOM 26680 OH2 TIP3 6896 7.085 35.523 -23.654 0.00 0.00 SOLV ATOM 26681 H1 TIP3 6896 8.031 35.305 -23.564 0.00 0.00 SOLV ATOM 26682 H2 TIP3 6896 6.958 35.488 -24.608 0.00 0.00 SOLV ATOM 26683 OH2 TIP3 6897 -3.671 35.625 1.634 0.00 0.00 SOLV ATOM 26684 H1 TIP3 6897 -3.292 36.451 1.512 0.00 0.00 SOLV ATOM 26685 H2 TIP3 6897 -3.956 35.687 2.524 0.00 0.00 SOLV ATOM 26686 OH2 TIP3 6898 1.457 20.788 -45.512 0.00 0.00 SOLV ATOM 26687 H1 TIP3 6898 1.139 21.726 -45.545 0.00 0.00 SOLV ATOM 26688 H2 TIP3 6898 2.209 20.864 -44.883 0.00 0.00 SOLV ATOM 26689 OH2 TIP3 6899 5.092 19.080 -46.973 0.00 0.00 SOLV ATOM 26690 H1 TIP3 6899 5.917 19.163 -47.535 0.00 0.00 SOLV ATOM 26691 H2 TIP3 6899 5.424 18.487 -46.246 0.00 0.00 SOLV ATOM 26692 OH2 TIP3 6900 -4.312 20.691 -40.742 0.00 0.00 SOLV ATOM 26693 H1 TIP3 6900 -4.107 20.550 -41.654 0.00 0.00 SOLV ATOM 26694 H2 TIP3 6900 -5.076 20.153 -40.556 0.00 0.00 SOLV ATOM 26695 OH2 TIP3 6901 12.175 20.219 5.011 0.00 0.00 SOLV ATOM 26696 H1 TIP3 6901 12.019 20.546 5.933 0.00 0.00 SOLV ATOM 26697 H2 TIP3 6901 11.402 20.483 4.470 0.00 0.00 SOLV ATOM 26698 OH2 TIP3 6902 11.783 4.129 5.986 0.00 0.00 SOLV ATOM 26699 H1 TIP3 6902 12.399 4.461 5.225 0.00 0.00 SOLV ATOM 26700 H2 TIP3 6902 11.346 4.876 6.325 0.00 0.00 SOLV ATOM 26701 OH2 TIP3 6903 17.769 19.469 0.219 0.00 0.00 SOLV ATOM 26702 H1 TIP3 6903 18.599 19.112 0.433 0.00 0.00 SOLV ATOM 26703 H2 TIP3 6903 17.409 19.599 1.107 0.00 0.00 SOLV ATOM 26704 OH2 TIP3 6904 4.364 19.741 -36.265 0.00 0.00 SOLV ATOM 26705 H1 TIP3 6904 3.833 20.038 -37.038 0.00 0.00 SOLV ATOM 26706 H2 TIP3 6904 4.199 18.779 -36.235 0.00 0.00 SOLV ATOM 26707 OH2 TIP3 6905 9.520 25.634 4.489 0.00 0.00 SOLV ATOM 26708 H1 TIP3 6905 8.916 25.062 5.002 0.00 0.00 SOLV ATOM 26709 H2 TIP3 6905 10.024 26.099 5.222 0.00 0.00 SOLV ATOM 26710 OH2 TIP3 6906 11.945 16.933 -42.720 0.00 0.00 SOLV ATOM 26711 H1 TIP3 6906 12.348 17.684 -43.113 0.00 0.00 SOLV ATOM 26712 H2 TIP3 6906 11.657 17.198 -41.858 0.00 0.00 SOLV ATOM 26713 OH2 TIP3 6907 -1.471 26.978 -36.330 0.00 0.00 SOLV ATOM 26714 H1 TIP3 6907 -1.589 27.793 -35.879 0.00 0.00 SOLV ATOM 26715 H2 TIP3 6907 -1.184 27.323 -37.277 0.00 0.00 SOLV ATOM 26716 OH2 TIP3 6908 5.738 17.936 -44.556 0.00 0.00 SOLV ATOM 26717 H1 TIP3 6908 5.831 18.345 -43.708 0.00 0.00 SOLV ATOM 26718 H2 TIP3 6908 5.321 17.146 -44.308 0.00 0.00 SOLV ATOM 26719 OH2 TIP3 6909 19.547 7.189 -6.048 0.00 0.00 SOLV ATOM 26720 H1 TIP3 6909 20.507 7.455 -6.148 0.00 0.00 SOLV ATOM 26721 H2 TIP3 6909 19.177 7.509 -6.887 0.00 0.00 SOLV ATOM 26722 OH2 TIP3 6910 13.843 18.966 -43.705 0.00 0.00 SOLV ATOM 26723 H1 TIP3 6910 14.083 19.500 -42.940 0.00 0.00 SOLV ATOM 26724 H2 TIP3 6910 14.686 18.628 -44.059 0.00 0.00 SOLV ATOM 26725 OH2 TIP3 6911 16.515 13.265 -10.194 0.00 0.00 SOLV ATOM 26726 H1 TIP3 6911 16.947 12.807 -10.879 0.00 0.00 SOLV ATOM 26727 H2 TIP3 6911 17.247 13.363 -9.516 0.00 0.00 SOLV ATOM 26728 OH2 TIP3 6912 5.424 25.643 -13.975 0.00 0.00 SOLV ATOM 26729 H1 TIP3 6912 4.572 25.163 -13.650 0.00 0.00 SOLV ATOM 26730 H2 TIP3 6912 5.165 26.555 -13.774 0.00 0.00 SOLV ATOM 26731 OH2 TIP3 6913 16.749 19.532 -12.879 0.00 0.00 SOLV ATOM 26732 H1 TIP3 6913 17.417 20.170 -12.502 0.00 0.00 SOLV ATOM 26733 H2 TIP3 6913 15.998 20.106 -13.177 0.00 0.00 SOLV ATOM 26734 OH2 TIP3 6914 16.049 22.738 -5.423 0.00 0.00 SOLV ATOM 26735 H1 TIP3 6914 15.226 22.371 -5.780 0.00 0.00 SOLV ATOM 26736 H2 TIP3 6914 16.581 21.917 -5.287 0.00 0.00 SOLV ATOM 26737 OH2 TIP3 6915 -4.034 -15.264 -20.602 0.00 0.00 SOLV ATOM 26738 H1 TIP3 6915 -4.712 -14.629 -20.541 0.00 0.00 SOLV ATOM 26739 H2 TIP3 6915 -4.347 -16.116 -20.220 0.00 0.00 SOLV ATOM 26740 OH2 TIP3 6916 23.895 22.899 -36.729 0.00 0.00 SOLV ATOM 26741 H1 TIP3 6916 24.818 23.109 -36.511 0.00 0.00 SOLV ATOM 26742 H2 TIP3 6916 23.397 23.575 -36.351 0.00 0.00 SOLV ATOM 26743 OH2 TIP3 6917 11.903 21.864 -40.602 0.00 0.00 SOLV ATOM 26744 H1 TIP3 6917 11.620 21.531 -41.483 0.00 0.00 SOLV ATOM 26745 H2 TIP3 6917 11.118 21.833 -40.047 0.00 0.00 SOLV ATOM 26746 OH2 TIP3 6918 -16.141 15.736 11.456 0.00 0.00 SOLV ATOM 26747 H1 TIP3 6918 -16.959 15.964 10.954 0.00 0.00 SOLV ATOM 26748 H2 TIP3 6918 -16.566 15.468 12.282 0.00 0.00 SOLV ATOM 26749 OH2 TIP3 6919 -7.520 24.628 -25.886 0.00 0.00 SOLV ATOM 26750 H1 TIP3 6919 -7.427 25.470 -26.407 0.00 0.00 SOLV ATOM 26751 H2 TIP3 6919 -6.593 24.295 -25.843 0.00 0.00 SOLV ATOM 26752 OH2 TIP3 6920 15.750 21.077 1.958 0.00 0.00 SOLV ATOM 26753 H1 TIP3 6920 14.983 21.309 2.475 0.00 0.00 SOLV ATOM 26754 H2 TIP3 6920 16.241 20.526 2.581 0.00 0.00 SOLV ATOM 26755 OH2 TIP3 6921 16.189 19.246 -24.362 0.00 0.00 SOLV ATOM 26756 H1 TIP3 6921 16.946 19.400 -23.747 0.00 0.00 SOLV ATOM 26757 H2 TIP3 6921 15.817 18.412 -24.019 0.00 0.00 SOLV ATOM 26758 OH2 TIP3 6922 7.753 29.862 -21.611 0.00 0.00 SOLV ATOM 26759 H1 TIP3 6922 7.399 29.020 -21.873 0.00 0.00 SOLV ATOM 26760 H2 TIP3 6922 7.871 29.753 -20.653 0.00 0.00 SOLV ATOM 26761 OH2 TIP3 6923 2.129 23.268 -3.870 0.00 0.00 SOLV ATOM 26762 H1 TIP3 6923 2.697 22.621 -4.441 0.00 0.00 SOLV ATOM 26763 H2 TIP3 6923 1.351 23.355 -4.410 0.00 0.00 SOLV ATOM 26764 OH2 TIP3 6924 -9.901 -13.041 15.508 0.00 0.00 SOLV ATOM 26765 H1 TIP3 6924 -9.332 -12.390 15.984 0.00 0.00 SOLV ATOM 26766 H2 TIP3 6924 -9.241 -13.408 14.889 0.00 0.00 SOLV ATOM 26767 OH2 TIP3 6925 13.102 27.010 -0.842 0.00 0.00 SOLV ATOM 26768 H1 TIP3 6925 12.980 27.195 -1.765 0.00 0.00 SOLV ATOM 26769 H2 TIP3 6925 13.780 26.351 -0.820 0.00 0.00 SOLV ATOM 26770 OH2 TIP3 6926 17.918 9.460 13.061 0.00 0.00 SOLV ATOM 26771 H1 TIP3 6926 17.915 9.099 13.988 0.00 0.00 SOLV ATOM 26772 H2 TIP3 6926 17.893 10.444 13.147 0.00 0.00 SOLV ATOM 26773 OH2 TIP3 6927 2.290 23.386 -31.461 0.00 0.00 SOLV ATOM 26774 H1 TIP3 6927 3.094 23.084 -31.014 0.00 0.00 SOLV ATOM 26775 H2 TIP3 6927 2.530 24.291 -31.867 0.00 0.00 SOLV ATOM 26776 OH2 TIP3 6928 -12.117 22.600 -10.546 0.00 0.00 SOLV ATOM 26777 H1 TIP3 6928 -11.188 22.423 -10.329 0.00 0.00 SOLV ATOM 26778 H2 TIP3 6928 -12.058 22.995 -11.423 0.00 0.00 SOLV ATOM 26779 OH2 TIP3 6929 33.373 16.041 -19.514 0.00 0.00 SOLV ATOM 26780 H1 TIP3 6929 32.846 16.878 -19.612 0.00 0.00 SOLV ATOM 26781 H2 TIP3 6929 34.257 16.286 -19.779 0.00 0.00 SOLV ATOM 26782 OH2 TIP3 6930 10.500 34.246 -8.174 0.00 0.00 SOLV ATOM 26783 H1 TIP3 6930 10.606 33.913 -7.253 0.00 0.00 SOLV ATOM 26784 H2 TIP3 6930 9.686 33.871 -8.475 0.00 0.00 SOLV ATOM 26785 OH2 TIP3 6931 4.534 12.806 -22.415 0.00 0.00 SOLV ATOM 26786 H1 TIP3 6931 4.328 12.409 -21.579 0.00 0.00 SOLV ATOM 26787 H2 TIP3 6931 5.386 12.457 -22.661 0.00 0.00 SOLV ATOM 26788 OH2 TIP3 6932 7.908 12.838 32.644 0.00 0.00 SOLV ATOM 26789 H1 TIP3 6932 7.605 12.853 33.554 0.00 0.00 SOLV ATOM 26790 H2 TIP3 6932 7.101 12.534 32.147 0.00 0.00 SOLV ATOM 26791 OH2 TIP3 6933 12.209 11.808 -37.972 0.00 0.00 SOLV ATOM 26792 H1 TIP3 6933 13.159 11.831 -38.155 0.00 0.00 SOLV ATOM 26793 H2 TIP3 6933 12.065 11.396 -37.100 0.00 0.00 SOLV ATOM 26794 OH2 TIP3 6934 23.934 22.404 -29.743 0.00 0.00 SOLV ATOM 26795 H1 TIP3 6934 24.038 23.171 -30.364 0.00 0.00 SOLV ATOM 26796 H2 TIP3 6934 23.011 22.055 -29.894 0.00 0.00 SOLV ATOM 26797 OH2 TIP3 6935 -9.892 31.271 -14.393 0.00 0.00 SOLV ATOM 26798 H1 TIP3 6935 -10.147 30.862 -13.539 0.00 0.00 SOLV ATOM 26799 H2 TIP3 6935 -10.613 30.980 -14.941 0.00 0.00 SOLV ATOM 26800 OH2 TIP3 6936 -23.357 -2.575 3.160 0.00 0.00 SOLV ATOM 26801 H1 TIP3 6936 -23.025 -3.511 3.074 0.00 0.00 SOLV ATOM 26802 H2 TIP3 6936 -23.915 -2.635 3.967 0.00 0.00 SOLV ATOM 26803 OH2 TIP3 6937 3.871 35.548 -4.375 0.00 0.00 SOLV ATOM 26804 H1 TIP3 6937 4.098 36.490 -4.053 0.00 0.00 SOLV ATOM 26805 H2 TIP3 6937 4.727 35.121 -4.431 0.00 0.00 SOLV ATOM 26806 OH2 TIP3 6938 6.168 28.162 -10.979 0.00 0.00 SOLV ATOM 26807 H1 TIP3 6938 7.061 28.133 -11.472 0.00 0.00 SOLV ATOM 26808 H2 TIP3 6938 6.467 28.311 -10.085 0.00 0.00 SOLV ATOM 26809 OH2 TIP3 6939 -9.603 35.565 -8.762 0.00 0.00 SOLV ATOM 26810 H1 TIP3 6939 -10.010 35.111 -9.504 0.00 0.00 SOLV ATOM 26811 H2 TIP3 6939 -10.136 36.360 -8.676 0.00 0.00 SOLV ATOM 26812 OH2 TIP3 6940 15.284 21.556 -2.432 0.00 0.00 SOLV ATOM 26813 H1 TIP3 6940 15.115 20.620 -2.251 0.00 0.00 SOLV ATOM 26814 H2 TIP3 6940 15.162 21.967 -1.575 0.00 0.00 SOLV ATOM 26815 OH2 TIP3 6941 18.058 20.933 -43.783 0.00 0.00 SOLV ATOM 26816 H1 TIP3 6941 18.203 20.009 -43.774 0.00 0.00 SOLV ATOM 26817 H2 TIP3 6941 18.716 21.353 -43.199 0.00 0.00 SOLV ATOM 26818 OH2 TIP3 6942 2.297 18.420 -47.175 0.00 0.00 SOLV ATOM 26819 H1 TIP3 6942 1.862 19.193 -46.673 0.00 0.00 SOLV ATOM 26820 H2 TIP3 6942 3.274 18.613 -46.923 0.00 0.00 SOLV ATOM 26821 OH2 TIP3 6943 3.311 29.269 -33.761 0.00 0.00 SOLV ATOM 26822 H1 TIP3 6943 3.632 29.228 -34.644 0.00 0.00 SOLV ATOM 26823 H2 TIP3 6943 4.088 29.528 -33.216 0.00 0.00 SOLV ATOM 26824 OH2 TIP3 6944 19.029 22.456 -41.286 0.00 0.00 SOLV ATOM 26825 H1 TIP3 6944 19.127 22.183 -40.372 0.00 0.00 SOLV ATOM 26826 H2 TIP3 6944 18.859 23.392 -41.197 0.00 0.00 SOLV ATOM 26827 OH2 TIP3 6945 18.884 22.465 -25.702 0.00 0.00 SOLV ATOM 26828 H1 TIP3 6945 18.262 22.457 -26.494 0.00 0.00 SOLV ATOM 26829 H2 TIP3 6945 18.924 23.423 -25.492 0.00 0.00 SOLV ATOM 26830 OH2 TIP3 6946 9.445 27.668 -22.879 0.00 0.00 SOLV ATOM 26831 H1 TIP3 6946 9.748 28.603 -22.864 0.00 0.00 SOLV ATOM 26832 H2 TIP3 6946 9.916 27.268 -23.544 0.00 0.00 SOLV ATOM 26833 OH2 TIP3 6947 23.904 24.103 -12.723 0.00 0.00 SOLV ATOM 26834 H1 TIP3 6947 23.929 23.440 -12.004 0.00 0.00 SOLV ATOM 26835 H2 TIP3 6947 24.548 23.768 -13.345 0.00 0.00 SOLV ATOM 26836 OH2 TIP3 6948 0.563 19.051 -36.282 0.00 0.00 SOLV ATOM 26837 H1 TIP3 6948 0.824 19.692 -35.627 0.00 0.00 SOLV ATOM 26838 H2 TIP3 6948 0.446 19.579 -37.068 0.00 0.00 SOLV ATOM 26839 OH2 TIP3 6949 8.217 35.510 -10.257 0.00 0.00 SOLV ATOM 26840 H1 TIP3 6949 7.314 35.633 -10.627 0.00 0.00 SOLV ATOM 26841 H2 TIP3 6949 8.070 34.925 -9.538 0.00 0.00 SOLV ATOM 26842 OH2 TIP3 6950 16.705 27.677 -11.162 0.00 0.00 SOLV ATOM 26843 H1 TIP3 6950 17.418 28.242 -10.989 0.00 0.00 SOLV ATOM 26844 H2 TIP3 6950 15.969 28.269 -11.450 0.00 0.00 SOLV ATOM 26845 OH2 TIP3 6951 13.110 22.438 -3.909 0.00 0.00 SOLV ATOM 26846 H1 TIP3 6951 13.863 22.094 -3.310 0.00 0.00 SOLV ATOM 26847 H2 TIP3 6951 13.301 21.975 -4.673 0.00 0.00 SOLV ATOM 26848 OH2 TIP3 6952 20.729 21.212 -1.936 0.00 0.00 SOLV ATOM 26849 H1 TIP3 6952 20.103 21.828 -1.596 0.00 0.00 SOLV ATOM 26850 H2 TIP3 6952 20.996 21.649 -2.761 0.00 0.00 SOLV ATOM 26851 OH2 TIP3 6953 12.059 22.641 1.402 0.00 0.00 SOLV ATOM 26852 H1 TIP3 6953 12.045 23.145 2.223 0.00 0.00 SOLV ATOM 26853 H2 TIP3 6953 11.122 22.746 1.143 0.00 0.00 SOLV ATOM 26854 OH2 TIP3 6954 4.095 14.020 -33.981 0.00 0.00 SOLV ATOM 26855 H1 TIP3 6954 4.777 13.786 -34.690 0.00 0.00 SOLV ATOM 26856 H2 TIP3 6954 4.409 14.881 -33.522 0.00 0.00 SOLV ATOM 26857 OH2 TIP3 6955 31.581 11.764 -30.331 0.00 0.00 SOLV ATOM 26858 H1 TIP3 6955 30.795 11.208 -30.331 0.00 0.00 SOLV ATOM 26859 H2 TIP3 6955 32.030 11.493 -29.479 0.00 0.00 SOLV ATOM 26860 OH2 TIP3 6956 14.795 4.848 7.839 0.00 0.00 SOLV ATOM 26861 H1 TIP3 6956 15.693 5.002 8.134 0.00 0.00 SOLV ATOM 26862 H2 TIP3 6956 14.832 4.961 6.849 0.00 0.00 SOLV ATOM 26863 OH2 TIP3 6957 20.840 33.176 -27.995 0.00 0.00 SOLV ATOM 26864 H1 TIP3 6957 21.759 33.517 -27.847 0.00 0.00 SOLV ATOM 26865 H2 TIP3 6957 20.422 33.910 -28.472 0.00 0.00 SOLV ATOM 26866 OH2 TIP3 6958 4.545 23.495 -20.309 0.00 0.00 SOLV ATOM 26867 H1 TIP3 6958 5.196 23.949 -19.691 0.00 0.00 SOLV ATOM 26868 H2 TIP3 6958 5.064 23.184 -21.028 0.00 0.00 SOLV ATOM 26869 OH2 TIP3 6959 8.251 35.897 -5.697 0.00 0.00 SOLV ATOM 26870 H1 TIP3 6959 8.022 34.954 -5.655 0.00 0.00 SOLV ATOM 26871 H2 TIP3 6959 8.888 36.007 -4.910 0.00 0.00 SOLV ATOM 26872 OH2 TIP3 6960 6.689 30.835 -4.651 0.00 0.00 SOLV ATOM 26873 H1 TIP3 6960 6.316 30.024 -4.293 0.00 0.00 SOLV ATOM 26874 H2 TIP3 6960 6.574 30.759 -5.591 0.00 0.00 SOLV ATOM 26875 OH2 TIP3 6961 2.652 29.738 -0.282 0.00 0.00 SOLV ATOM 26876 H1 TIP3 6961 2.208 29.862 -1.072 0.00 0.00 SOLV ATOM 26877 H2 TIP3 6961 2.036 29.125 0.089 0.00 0.00 SOLV ATOM 26878 OH2 TIP3 6962 12.372 8.731 -7.395 0.00 0.00 SOLV ATOM 26879 H1 TIP3 6962 11.841 8.232 -8.049 0.00 0.00 SOLV ATOM 26880 H2 TIP3 6962 12.176 9.640 -7.492 0.00 0.00 SOLV ATOM 26881 OH2 TIP3 6963 2.267 32.035 -27.631 0.00 0.00 SOLV ATOM 26882 H1 TIP3 6963 2.384 31.989 -28.630 0.00 0.00 SOLV ATOM 26883 H2 TIP3 6963 1.722 31.267 -27.370 0.00 0.00 SOLV ATOM 26884 OH2 TIP3 6964 11.007 29.765 -31.329 0.00 0.00 SOLV ATOM 26885 H1 TIP3 6964 11.123 29.497 -32.201 0.00 0.00 SOLV ATOM 26886 H2 TIP3 6964 11.489 29.088 -30.842 0.00 0.00 SOLV ATOM 26887 OH2 TIP3 6965 1.909 28.837 -24.003 0.00 0.00 SOLV ATOM 26888 H1 TIP3 6965 2.049 28.355 -24.870 0.00 0.00 SOLV ATOM 26889 H2 TIP3 6965 2.797 28.967 -23.786 0.00 0.00 SOLV ATOM 26890 OH2 TIP3 6966 10.144 38.399 -27.032 0.00 0.00 SOLV ATOM 26891 H1 TIP3 6966 9.264 38.836 -26.831 0.00 0.00 SOLV ATOM 26892 H2 TIP3 6966 9.987 37.875 -27.810 0.00 0.00 SOLV ATOM 26893 OH2 TIP3 6967 -1.835 24.476 -22.469 0.00 0.00 SOLV ATOM 26894 H1 TIP3 6967 -2.204 24.886 -21.659 0.00 0.00 SOLV ATOM 26895 H2 TIP3 6967 -2.594 24.472 -23.033 0.00 0.00 SOLV ATOM 26896 OH2 TIP3 6968 19.718 28.064 -19.634 0.00 0.00 SOLV ATOM 26897 H1 TIP3 6968 18.786 28.139 -19.973 0.00 0.00 SOLV ATOM 26898 H2 TIP3 6968 19.836 27.084 -19.617 0.00 0.00 SOLV ATOM 26899 OH2 TIP3 6969 1.186 20.850 -25.575 0.00 0.00 SOLV ATOM 26900 H1 TIP3 6969 0.980 20.136 -24.994 0.00 0.00 SOLV ATOM 26901 H2 TIP3 6969 1.389 21.523 -24.926 0.00 0.00 SOLV ATOM 26902 OH2 TIP3 6970 3.183 33.569 -16.737 0.00 0.00 SOLV ATOM 26903 H1 TIP3 6970 2.964 34.255 -17.401 0.00 0.00 SOLV ATOM 26904 H2 TIP3 6970 2.938 34.054 -15.943 0.00 0.00 SOLV ATOM 26905 OH2 TIP3 6971 16.329 30.891 -20.407 0.00 0.00 SOLV ATOM 26906 H1 TIP3 6971 17.048 30.413 -20.925 0.00 0.00 SOLV ATOM 26907 H2 TIP3 6971 16.231 31.680 -20.921 0.00 0.00 SOLV ATOM 26908 OH2 TIP3 6972 12.191 34.520 -22.697 0.00 0.00 SOLV ATOM 26909 H1 TIP3 6972 12.057 35.326 -22.098 0.00 0.00 SOLV ATOM 26910 H2 TIP3 6972 13.125 34.600 -22.930 0.00 0.00 SOLV ATOM 26911 OH2 TIP3 6973 8.404 26.575 -18.605 0.00 0.00 SOLV ATOM 26912 H1 TIP3 6973 8.052 27.499 -18.874 0.00 0.00 SOLV ATOM 26913 H2 TIP3 6973 8.685 26.337 -19.512 0.00 0.00 SOLV ATOM 26914 OH2 TIP3 6974 7.209 13.928 3.092 0.00 0.00 SOLV ATOM 26915 H1 TIP3 6974 8.138 14.164 3.141 0.00 0.00 SOLV ATOM 26916 H2 TIP3 6974 7.214 13.101 3.663 0.00 0.00 SOLV ATOM 26917 OH2 TIP3 6975 4.321 33.403 -9.127 0.00 0.00 SOLV ATOM 26918 H1 TIP3 6975 4.917 32.715 -8.888 0.00 0.00 SOLV ATOM 26919 H2 TIP3 6975 3.995 32.969 -9.942 0.00 0.00 SOLV ATOM 26920 OH2 TIP3 6976 11.519 23.850 3.662 0.00 0.00 SOLV ATOM 26921 H1 TIP3 6976 11.877 23.551 4.522 0.00 0.00 SOLV ATOM 26922 H2 TIP3 6976 11.023 24.662 3.940 0.00 0.00 SOLV ATOM 26923 OH2 TIP3 6977 14.148 33.625 -31.572 0.00 0.00 SOLV ATOM 26924 H1 TIP3 6977 13.684 34.153 -32.238 0.00 0.00 SOLV ATOM 26925 H2 TIP3 6977 14.186 32.779 -32.017 0.00 0.00 SOLV ATOM 26926 OH2 TIP3 6978 -6.984 30.163 -0.695 0.00 0.00 SOLV ATOM 26927 H1 TIP3 6978 -7.442 31.003 -0.792 0.00 0.00 SOLV ATOM 26928 H2 TIP3 6978 -6.696 30.240 0.190 0.00 0.00 SOLV ATOM 26929 OH2 TIP3 6979 12.542 33.139 -19.768 0.00 0.00 SOLV ATOM 26930 H1 TIP3 6979 13.423 32.727 -19.446 0.00 0.00 SOLV ATOM 26931 H2 TIP3 6979 12.248 32.672 -20.625 0.00 0.00 SOLV ATOM 26932 OH2 TIP3 6980 5.419 31.172 -22.808 0.00 0.00 SOLV ATOM 26933 H1 TIP3 6980 6.284 30.863 -22.655 0.00 0.00 SOLV ATOM 26934 H2 TIP3 6980 5.280 31.796 -22.063 0.00 0.00 SOLV ATOM 26935 OH2 TIP3 6981 11.560 35.770 -20.225 0.00 0.00 SOLV ATOM 26936 H1 TIP3 6981 11.986 34.994 -19.811 0.00 0.00 SOLV ATOM 26937 H2 TIP3 6981 12.284 36.420 -20.180 0.00 0.00 SOLV ATOM 26938 OH2 TIP3 6982 3.068 36.290 -6.827 0.00 0.00 SOLV ATOM 26939 H1 TIP3 6982 2.397 35.585 -7.059 0.00 0.00 SOLV ATOM 26940 H2 TIP3 6982 3.450 35.953 -6.038 0.00 0.00 SOLV ATOM 26941 OH2 TIP3 6983 5.974 36.438 -26.421 0.00 0.00 SOLV ATOM 26942 H1 TIP3 6983 5.892 37.117 -27.128 0.00 0.00 SOLV ATOM 26943 H2 TIP3 6983 6.857 36.705 -26.025 0.00 0.00 SOLV ATOM 26944 OH2 TIP3 6984 5.233 32.879 -20.696 0.00 0.00 SOLV ATOM 26945 H1 TIP3 6984 6.076 33.326 -20.801 0.00 0.00 SOLV ATOM 26946 H2 TIP3 6984 5.252 32.658 -19.763 0.00 0.00 SOLV ATOM 26947 OH2 TIP3 6985 6.097 33.864 -5.618 0.00 0.00 SOLV ATOM 26948 H1 TIP3 6985 6.442 34.280 -4.764 0.00 0.00 SOLV ATOM 26949 H2 TIP3 6985 6.110 32.838 -5.510 0.00 0.00 SOLV ATOM 26950 OH2 TIP3 6986 -1.605 16.955 -36.101 0.00 0.00 SOLV ATOM 26951 H1 TIP3 6986 -0.664 17.304 -36.188 0.00 0.00 SOLV ATOM 26952 H2 TIP3 6986 -1.850 16.767 -37.024 0.00 0.00 SOLV ATOM 26953 OH2 TIP3 6987 18.748 23.595 -14.140 0.00 0.00 SOLV ATOM 26954 H1 TIP3 6987 18.687 24.321 -13.459 0.00 0.00 SOLV ATOM 26955 H2 TIP3 6987 19.639 23.713 -14.538 0.00 0.00 SOLV ATOM 26956 OH2 TIP3 6988 1.689 18.633 -33.403 0.00 0.00 SOLV ATOM 26957 H1 TIP3 6988 1.106 19.365 -33.132 0.00 0.00 SOLV ATOM 26958 H2 TIP3 6988 2.545 19.076 -33.435 0.00 0.00 SOLV ATOM 26959 OH2 TIP3 6989 15.817 21.783 -48.913 0.00 0.00 SOLV ATOM 26960 H1 TIP3 6989 16.078 22.052 -48.002 0.00 0.00 SOLV ATOM 26961 H2 TIP3 6989 14.959 21.322 -48.788 0.00 0.00 SOLV ATOM 26962 OH2 TIP3 6990 12.703 16.952 -10.814 0.00 0.00 SOLV ATOM 26963 H1 TIP3 6990 13.477 16.963 -10.270 0.00 0.00 SOLV ATOM 26964 H2 TIP3 6990 12.847 17.681 -11.370 0.00 0.00 SOLV ATOM 26965 OH2 TIP3 6991 22.022 13.177 11.868 0.00 0.00 SOLV ATOM 26966 H1 TIP3 6991 22.727 13.441 12.422 0.00 0.00 SOLV ATOM 26967 H2 TIP3 6991 21.349 13.751 12.117 0.00 0.00 SOLV ATOM 26968 OH2 TIP3 6992 14.484 18.750 -50.599 0.00 0.00 SOLV ATOM 26969 H1 TIP3 6992 15.323 18.327 -50.464 0.00 0.00 SOLV ATOM 26970 H2 TIP3 6992 13.964 18.531 -49.810 0.00 0.00 SOLV ATOM 26971 OH2 TIP3 6993 21.261 26.696 -8.205 0.00 0.00 SOLV ATOM 26972 H1 TIP3 6993 21.482 27.565 -8.414 0.00 0.00 SOLV ATOM 26973 H2 TIP3 6993 20.888 26.455 -9.006 0.00 0.00 SOLV ATOM 26974 OH2 TIP3 6994 -9.447 24.395 -10.987 0.00 0.00 SOLV ATOM 26975 H1 TIP3 6994 -9.592 23.575 -10.553 0.00 0.00 SOLV ATOM 26976 H2 TIP3 6994 -9.873 24.229 -11.792 0.00 0.00 SOLV ATOM 26977 OH2 TIP3 6995 13.077 22.419 -12.405 0.00 0.00 SOLV ATOM 26978 H1 TIP3 6995 12.774 23.267 -12.802 0.00 0.00 SOLV ATOM 26979 H2 TIP3 6995 13.731 22.153 -13.097 0.00 0.00 SOLV ATOM 26980 OH2 TIP3 6996 3.481 10.877 -40.410 0.00 0.00 SOLV ATOM 26981 H1 TIP3 6996 3.987 10.169 -39.953 0.00 0.00 SOLV ATOM 26982 H2 TIP3 6996 4.182 11.539 -40.636 0.00 0.00 SOLV ATOM 26983 OH2 TIP3 6997 9.760 31.375 -35.703 0.00 0.00 SOLV ATOM 26984 H1 TIP3 6997 9.799 30.687 -36.362 0.00 0.00 SOLV ATOM 26985 H2 TIP3 6997 8.827 31.460 -35.501 0.00 0.00 SOLV ATOM 26986 OH2 TIP3 6998 18.008 24.967 -33.511 0.00 0.00 SOLV ATOM 26987 H1 TIP3 6998 18.302 25.880 -33.593 0.00 0.00 SOLV ATOM 26988 H2 TIP3 6998 17.484 24.826 -34.229 0.00 0.00 SOLV ATOM 26989 OH2 TIP3 6999 19.192 0.811 -42.956 0.00 0.00 SOLV ATOM 26990 H1 TIP3 6999 19.138 1.708 -42.649 0.00 0.00 SOLV ATOM 26991 H2 TIP3 6999 19.111 0.790 -43.904 0.00 0.00 SOLV ATOM 26992 OH2 TIP3 7000 -11.386 24.540 -15.935 0.00 0.00 SOLV ATOM 26993 H1 TIP3 7000 -10.677 24.525 -16.613 0.00 0.00 SOLV ATOM 26994 H2 TIP3 7000 -11.924 25.317 -16.149 0.00 0.00 SOLV ATOM 26995 OH2 TIP3 7001 10.036 25.366 -4.833 0.00 0.00 SOLV ATOM 26996 H1 TIP3 7001 10.827 25.686 -4.277 0.00 0.00 SOLV ATOM 26997 H2 TIP3 7001 10.220 24.432 -4.945 0.00 0.00 SOLV ATOM 26998 OH2 TIP3 7002 4.287 27.432 5.835 0.00 0.00 SOLV ATOM 26999 H1 TIP3 7002 4.010 26.740 5.218 0.00 0.00 SOLV ATOM 27000 H2 TIP3 7002 3.726 27.225 6.643 0.00 0.00 SOLV ATOM 27001 OH2 TIP3 7003 17.672 19.469 3.477 0.00 0.00 SOLV ATOM 27002 H1 TIP3 7003 18.231 19.847 4.165 0.00 0.00 SOLV ATOM 27003 H2 TIP3 7003 17.834 18.510 3.515 0.00 0.00 SOLV ATOM 27004 OH2 TIP3 7004 6.673 19.041 -38.764 0.00 0.00 SOLV ATOM 27005 H1 TIP3 7004 6.055 19.579 -39.324 0.00 0.00 SOLV ATOM 27006 H2 TIP3 7004 6.492 19.250 -37.850 0.00 0.00 SOLV ATOM 27007 OH2 TIP3 7005 -10.481 21.766 -25.613 0.00 0.00 SOLV ATOM 27008 H1 TIP3 7005 -10.158 22.585 -25.194 0.00 0.00 SOLV ATOM 27009 H2 TIP3 7005 -10.000 21.741 -26.457 0.00 0.00 SOLV ATOM 27010 OH2 TIP3 7006 23.270 7.204 -10.709 0.00 0.00 SOLV ATOM 27011 H1 TIP3 7006 23.078 7.731 -11.547 0.00 0.00 SOLV ATOM 27012 H2 TIP3 7006 24.168 7.492 -10.544 0.00 0.00 SOLV ATOM 27013 OH2 TIP3 7007 -0.417 11.993 -25.459 0.00 0.00 SOLV ATOM 27014 H1 TIP3 7007 -1.203 12.268 -24.846 0.00 0.00 SOLV ATOM 27015 H2 TIP3 7007 0.260 11.716 -24.816 0.00 0.00 SOLV ATOM 27016 OH2 TIP3 7008 11.059 4.694 -3.957 0.00 0.00 SOLV ATOM 27017 H1 TIP3 7008 11.608 5.403 -4.376 0.00 0.00 SOLV ATOM 27018 H2 TIP3 7008 10.155 5.066 -3.877 0.00 0.00 SOLV ATOM 27019 OH2 TIP3 7009 18.663 18.920 -6.906 0.00 0.00 SOLV ATOM 27020 H1 TIP3 7009 18.760 19.259 -7.805 0.00 0.00 SOLV ATOM 27021 H2 TIP3 7009 19.519 18.514 -6.706 0.00 0.00 SOLV ATOM 27022 OH2 TIP3 7010 10.278 22.642 -5.770 0.00 0.00 SOLV ATOM 27023 H1 TIP3 7010 9.658 22.336 -5.031 0.00 0.00 SOLV ATOM 27024 H2 TIP3 7010 11.017 22.123 -5.609 0.00 0.00 SOLV ATOM 27025 OH2 TIP3 7011 7.396 21.363 -8.559 0.00 0.00 SOLV ATOM 27026 H1 TIP3 7011 7.403 20.771 -7.750 0.00 0.00 SOLV ATOM 27027 H2 TIP3 7011 6.687 21.124 -9.177 0.00 0.00 SOLV ATOM 27028 OH2 TIP3 7012 19.657 23.731 -45.483 0.00 0.00 SOLV ATOM 27029 H1 TIP3 7012 19.649 24.399 -46.240 0.00 0.00 SOLV ATOM 27030 H2 TIP3 7012 20.503 23.311 -45.496 0.00 0.00 SOLV ATOM 27031 OH2 TIP3 7013 14.811 24.650 -44.135 0.00 0.00 SOLV ATOM 27032 H1 TIP3 7013 15.644 24.151 -44.184 0.00 0.00 SOLV ATOM 27033 H2 TIP3 7013 14.172 24.108 -44.533 0.00 0.00 SOLV ATOM 27034 OH2 TIP3 7014 25.480 18.564 -31.694 0.00 0.00 SOLV ATOM 27035 H1 TIP3 7014 25.840 17.866 -32.266 0.00 0.00 SOLV ATOM 27036 H2 TIP3 7014 26.217 19.045 -31.425 0.00 0.00 SOLV ATOM 27037 OH2 TIP3 7015 17.005 22.559 -38.854 0.00 0.00 SOLV ATOM 27038 H1 TIP3 7015 16.435 22.538 -39.639 0.00 0.00 SOLV ATOM 27039 H2 TIP3 7015 17.254 21.645 -38.615 0.00 0.00 SOLV ATOM 27040 OH2 TIP3 7016 5.499 24.450 -34.298 0.00 0.00 SOLV ATOM 27041 H1 TIP3 7016 5.229 24.917 -35.175 0.00 0.00 SOLV ATOM 27042 H2 TIP3 7016 6.180 23.824 -34.649 0.00 0.00 SOLV ATOM 27043 OH2 TIP3 7017 14.926 22.680 -34.302 0.00 0.00 SOLV ATOM 27044 H1 TIP3 7017 15.685 23.092 -34.756 0.00 0.00 SOLV ATOM 27045 H2 TIP3 7017 14.911 21.809 -34.791 0.00 0.00 SOLV ATOM 27046 OH2 TIP3 7018 5.680 29.536 -15.981 0.00 0.00 SOLV ATOM 27047 H1 TIP3 7018 5.519 29.214 -15.120 0.00 0.00 SOLV ATOM 27048 H2 TIP3 7018 6.659 29.768 -15.961 0.00 0.00 SOLV ATOM 27049 OH2 TIP3 7019 13.266 19.206 -12.973 0.00 0.00 SOLV ATOM 27050 H1 TIP3 7019 12.502 19.818 -13.046 0.00 0.00 SOLV ATOM 27051 H2 TIP3 7019 13.824 19.737 -12.355 0.00 0.00 SOLV ATOM 27052 OH2 TIP3 7020 15.855 19.238 -19.607 0.00 0.00 SOLV ATOM 27053 H1 TIP3 7020 14.881 19.052 -19.674 0.00 0.00 SOLV ATOM 27054 H2 TIP3 7020 16.039 19.770 -20.344 0.00 0.00 SOLV ATOM 27055 OH2 TIP3 7021 18.134 22.648 -9.371 0.00 0.00 SOLV ATOM 27056 H1 TIP3 7021 17.464 23.115 -8.785 0.00 0.00 SOLV ATOM 27057 H2 TIP3 7021 18.430 23.316 -9.970 0.00 0.00 SOLV ATOM 27058 OH2 TIP3 7022 20.729 5.979 -10.430 0.00 0.00 SOLV ATOM 27059 H1 TIP3 7022 21.451 6.599 -10.651 0.00 0.00 SOLV ATOM 27060 H2 TIP3 7022 20.084 6.207 -11.156 0.00 0.00 SOLV ATOM 27061 OH2 TIP3 7023 2.053 16.951 7.987 0.00 0.00 SOLV ATOM 27062 H1 TIP3 7023 2.088 16.826 7.061 0.00 0.00 SOLV ATOM 27063 H2 TIP3 7023 2.101 17.935 8.080 0.00 0.00 SOLV ATOM 27064 OH2 TIP3 7024 7.301 23.158 -35.673 0.00 0.00 SOLV ATOM 27065 H1 TIP3 7024 7.225 23.235 -36.647 0.00 0.00 SOLV ATOM 27066 H2 TIP3 7024 7.165 22.165 -35.542 0.00 0.00 SOLV ATOM 27067 OH2 TIP3 7025 14.030 30.274 -26.920 0.00 0.00 SOLV ATOM 27068 H1 TIP3 7025 14.168 30.656 -27.759 0.00 0.00 SOLV ATOM 27069 H2 TIP3 7025 14.326 30.946 -26.305 0.00 0.00 SOLV ATOM 27070 OH2 TIP3 7026 20.266 27.800 -25.523 0.00 0.00 SOLV ATOM 27071 H1 TIP3 7026 20.257 28.371 -26.284 0.00 0.00 SOLV ATOM 27072 H2 TIP3 7026 21.234 27.810 -25.237 0.00 0.00 SOLV ATOM 27073 OH2 TIP3 7027 19.511 31.233 -30.614 0.00 0.00 SOLV ATOM 27074 H1 TIP3 7027 20.245 30.794 -30.209 0.00 0.00 SOLV ATOM 27075 H2 TIP3 7027 19.906 32.005 -31.121 0.00 0.00 SOLV ATOM 27076 OH2 TIP3 7028 14.943 26.881 -14.909 0.00 0.00 SOLV ATOM 27077 H1 TIP3 7028 15.433 27.656 -15.004 0.00 0.00 SOLV ATOM 27078 H2 TIP3 7028 15.199 26.328 -15.668 0.00 0.00 SOLV ATOM 27079 OH2 TIP3 7029 17.995 18.867 -2.723 0.00 0.00 SOLV ATOM 27080 H1 TIP3 7029 17.878 19.182 -1.801 0.00 0.00 SOLV ATOM 27081 H2 TIP3 7029 18.964 18.772 -2.831 0.00 0.00 SOLV ATOM 27082 OH2 TIP3 7030 14.823 19.017 -1.222 0.00 0.00 SOLV ATOM 27083 H1 TIP3 7030 15.069 18.281 -1.775 0.00 0.00 SOLV ATOM 27084 H2 TIP3 7030 15.648 19.209 -0.733 0.00 0.00 SOLV ATOM 27085 OH2 TIP3 7031 8.132 26.723 -2.361 0.00 0.00 SOLV ATOM 27086 H1 TIP3 7031 7.775 25.793 -2.298 0.00 0.00 SOLV ATOM 27087 H2 TIP3 7031 8.550 26.850 -1.507 0.00 0.00 SOLV ATOM 27088 OH2 TIP3 7032 20.511 17.706 -46.274 0.00 0.00 SOLV ATOM 27089 H1 TIP3 7032 21.321 17.163 -46.125 0.00 0.00 SOLV ATOM 27090 H2 TIP3 7032 20.720 18.617 -46.001 0.00 0.00 SOLV ATOM 27091 OH2 TIP3 7033 12.876 14.983 -34.391 0.00 0.00 SOLV ATOM 27092 H1 TIP3 7033 12.012 14.641 -34.658 0.00 0.00 SOLV ATOM 27093 H2 TIP3 7033 13.349 15.067 -35.209 0.00 0.00 SOLV ATOM 27094 OH2 TIP3 7034 0.603 27.897 -21.019 0.00 0.00 SOLV ATOM 27095 H1 TIP3 7034 1.537 27.829 -21.184 0.00 0.00 SOLV ATOM 27096 H2 TIP3 7034 0.322 27.009 -20.711 0.00 0.00 SOLV ATOM 27097 OH2 TIP3 7035 28.303 6.445 -29.919 0.00 0.00 SOLV ATOM 27098 H1 TIP3 7035 27.858 6.996 -29.221 0.00 0.00 SOLV ATOM 27099 H2 TIP3 7035 29.232 6.770 -30.087 0.00 0.00 SOLV ATOM 27100 OH2 TIP3 7036 9.527 13.027 -4.935 0.00 0.00 SOLV ATOM 27101 H1 TIP3 7036 10.069 13.795 -5.303 0.00 0.00 SOLV ATOM 27102 H2 TIP3 7036 8.868 12.938 -5.569 0.00 0.00 SOLV ATOM 27103 OH2 TIP3 7037 13.016 30.712 -8.945 0.00 0.00 SOLV ATOM 27104 H1 TIP3 7037 12.370 30.093 -9.321 0.00 0.00 SOLV ATOM 27105 H2 TIP3 7037 12.596 31.578 -8.981 0.00 0.00 SOLV ATOM 27106 OH2 TIP3 7038 18.972 22.067 1.673 0.00 0.00 SOLV ATOM 27107 H1 TIP3 7038 18.638 22.851 2.148 0.00 0.00 SOLV ATOM 27108 H2 TIP3 7038 18.161 21.653 1.357 0.00 0.00 SOLV ATOM 27109 OH2 TIP3 7039 5.860 28.550 -3.147 0.00 0.00 SOLV ATOM 27110 H1 TIP3 7039 5.131 27.920 -3.151 0.00 0.00 SOLV ATOM 27111 H2 TIP3 7039 6.599 28.020 -2.801 0.00 0.00 SOLV ATOM 27112 OH2 TIP3 7040 5.178 31.631 6.992 0.00 0.00 SOLV ATOM 27113 H1 TIP3 7040 5.705 30.935 6.629 0.00 0.00 SOLV ATOM 27114 H2 TIP3 7040 4.278 31.484 6.565 0.00 0.00 SOLV ATOM 27115 OH2 TIP3 7041 12.251 32.265 -37.703 0.00 0.00 SOLV ATOM 27116 H1 TIP3 7041 12.260 31.834 -38.537 0.00 0.00 SOLV ATOM 27117 H2 TIP3 7041 11.285 32.274 -37.538 0.00 0.00 SOLV ATOM 27118 OH2 TIP3 7042 4.739 28.704 -13.302 0.00 0.00 SOLV ATOM 27119 H1 TIP3 7042 5.195 28.416 -12.478 0.00 0.00 SOLV ATOM 27120 H2 TIP3 7042 4.029 29.323 -13.020 0.00 0.00 SOLV ATOM 27121 OH2 TIP3 7043 -0.995 32.676 -15.492 0.00 0.00 SOLV ATOM 27122 H1 TIP3 7043 -0.111 32.830 -15.225 0.00 0.00 SOLV ATOM 27123 H2 TIP3 7043 -0.944 33.170 -16.327 0.00 0.00 SOLV ATOM 27124 OH2 TIP3 7044 9.271 30.523 -8.701 0.00 0.00 SOLV ATOM 27125 H1 TIP3 7044 9.711 30.546 -9.560 0.00 0.00 SOLV ATOM 27126 H2 TIP3 7044 8.990 31.423 -8.520 0.00 0.00 SOLV ATOM 27127 OH2 TIP3 7045 12.154 24.905 -3.019 0.00 0.00 SOLV ATOM 27128 H1 TIP3 7045 12.747 25.649 -3.210 0.00 0.00 SOLV ATOM 27129 H2 TIP3 7045 12.601 24.149 -3.433 0.00 0.00 SOLV ATOM 27130 OH2 TIP3 7046 23.604 26.423 -28.866 0.00 0.00 SOLV ATOM 27131 H1 TIP3 7046 22.968 25.927 -28.357 0.00 0.00 SOLV ATOM 27132 H2 TIP3 7046 23.499 26.031 -29.729 0.00 0.00 SOLV ATOM 27133 OH2 TIP3 7047 17.373 19.681 -40.775 0.00 0.00 SOLV ATOM 27134 H1 TIP3 7047 17.344 20.383 -41.389 0.00 0.00 SOLV ATOM 27135 H2 TIP3 7047 16.482 19.236 -40.956 0.00 0.00 SOLV ATOM 27136 OH2 TIP3 7048 10.397 36.254 -34.320 0.00 0.00 SOLV ATOM 27137 H1 TIP3 7048 9.915 37.004 -34.589 0.00 0.00 SOLV ATOM 27138 H2 TIP3 7048 9.663 35.695 -33.946 0.00 0.00 SOLV ATOM 27139 OH2 TIP3 7049 14.721 31.143 -24.000 0.00 0.00 SOLV ATOM 27140 H1 TIP3 7049 15.603 31.215 -23.706 0.00 0.00 SOLV ATOM 27141 H2 TIP3 7049 14.600 30.219 -24.147 0.00 0.00 SOLV ATOM 27142 OH2 TIP3 7050 10.337 10.954 4.138 0.00 0.00 SOLV ATOM 27143 H1 TIP3 7050 10.678 10.717 4.992 0.00 0.00 SOLV ATOM 27144 H2 TIP3 7050 10.853 10.500 3.558 0.00 0.00 SOLV ATOM 27145 OH2 TIP3 7051 14.904 32.280 -18.635 0.00 0.00 SOLV ATOM 27146 H1 TIP3 7051 15.533 32.919 -18.301 0.00 0.00 SOLV ATOM 27147 H2 TIP3 7051 15.382 31.539 -19.092 0.00 0.00 SOLV ATOM 27148 OH2 TIP3 7052 2.659 33.761 -20.820 0.00 0.00 SOLV ATOM 27149 H1 TIP3 7052 2.309 33.990 -21.703 0.00 0.00 SOLV ATOM 27150 H2 TIP3 7052 3.336 33.160 -20.989 0.00 0.00 SOLV ATOM 27151 OH2 TIP3 7053 2.154 33.280 -4.408 0.00 0.00 SOLV ATOM 27152 H1 TIP3 7053 2.702 32.868 -3.656 0.00 0.00 SOLV ATOM 27153 H2 TIP3 7053 2.612 34.185 -4.509 0.00 0.00 SOLV ATOM 27154 OH2 TIP3 7054 7.479 29.491 2.823 0.00 0.00 SOLV ATOM 27155 H1 TIP3 7054 7.226 28.749 3.386 0.00 0.00 SOLV ATOM 27156 H2 TIP3 7054 7.285 29.166 1.948 0.00 0.00 SOLV ATOM 27157 OH2 TIP3 7055 15.355 20.098 -31.985 0.00 0.00 SOLV ATOM 27158 H1 TIP3 7055 16.140 20.671 -31.764 0.00 0.00 SOLV ATOM 27159 H2 TIP3 7055 15.609 19.606 -32.786 0.00 0.00 SOLV ATOM 27160 OH2 TIP3 7056 32.040 11.382 -13.313 0.00 0.00 SOLV ATOM 27161 H1 TIP3 7056 31.306 10.955 -12.786 0.00 0.00 SOLV ATOM 27162 H2 TIP3 7056 31.666 12.261 -13.555 0.00 0.00 SOLV ATOM 27163 OH2 TIP3 7057 3.577 35.759 -25.087 0.00 0.00 SOLV ATOM 27164 H1 TIP3 7057 3.608 34.879 -24.853 0.00 0.00 SOLV ATOM 27165 H2 TIP3 7057 4.223 35.855 -25.800 0.00 0.00 SOLV ATOM 27166 OH2 TIP3 7058 13.653 30.644 -16.936 0.00 0.00 SOLV ATOM 27167 H1 TIP3 7058 14.250 31.247 -17.375 0.00 0.00 SOLV ATOM 27168 H2 TIP3 7058 13.817 30.891 -15.991 0.00 0.00 SOLV ATOM 27169 OH2 TIP3 7059 1.088 23.267 1.743 0.00 0.00 SOLV ATOM 27170 H1 TIP3 7059 0.203 23.193 2.186 0.00 0.00 SOLV ATOM 27171 H2 TIP3 7059 1.022 23.928 1.026 0.00 0.00 SOLV ATOM 27172 OH2 TIP3 7060 7.729 24.376 -11.244 0.00 0.00 SOLV ATOM 27173 H1 TIP3 7060 7.437 23.436 -11.387 0.00 0.00 SOLV ATOM 27174 H2 TIP3 7060 8.705 24.348 -11.295 0.00 0.00 SOLV ATOM 27175 OH2 TIP3 7061 9.459 25.622 -16.323 0.00 0.00 SOLV ATOM 27176 H1 TIP3 7061 8.685 25.168 -15.894 0.00 0.00 SOLV ATOM 27177 H2 TIP3 7061 9.083 26.010 -17.095 0.00 0.00 SOLV ATOM 27178 OH2 TIP3 7062 11.226 29.215 -10.807 0.00 0.00 SOLV ATOM 27179 H1 TIP3 7062 10.678 28.538 -10.333 0.00 0.00 SOLV ATOM 27180 H2 TIP3 7062 12.025 28.698 -11.121 0.00 0.00 SOLV ATOM 27181 OH2 TIP3 7063 -2.730 38.431 -6.986 0.00 0.00 SOLV ATOM 27182 H1 TIP3 7063 -2.008 38.106 -6.464 0.00 0.00 SOLV ATOM 27183 H2 TIP3 7063 -3.537 38.286 -6.443 0.00 0.00 SOLV ATOM 27184 OH2 TIP3 7064 5.127 35.624 -11.278 0.00 0.00 SOLV ATOM 27185 H1 TIP3 7064 4.353 35.908 -10.856 0.00 0.00 SOLV ATOM 27186 H2 TIP3 7064 4.854 34.681 -11.497 0.00 0.00 SOLV ATOM 27187 OH2 TIP3 7065 10.757 29.810 -17.195 0.00 0.00 SOLV ATOM 27188 H1 TIP3 7065 10.569 30.255 -16.397 0.00 0.00 SOLV ATOM 27189 H2 TIP3 7065 11.668 30.124 -17.384 0.00 0.00 SOLV ATOM 27190 OH2 TIP3 7066 14.979 27.733 -21.564 0.00 0.00 SOLV ATOM 27191 H1 TIP3 7066 14.391 27.927 -20.816 0.00 0.00 SOLV ATOM 27192 H2 TIP3 7066 14.402 27.686 -22.367 0.00 0.00 SOLV ATOM 27193 OH2 TIP3 7067 18.553 16.971 6.797 0.00 0.00 SOLV ATOM 27194 H1 TIP3 7067 18.533 16.406 7.537 0.00 0.00 SOLV ATOM 27195 H2 TIP3 7067 17.746 17.460 6.892 0.00 0.00 SOLV ATOM 27196 OH2 TIP3 7068 -3.993 31.510 -29.749 0.00 0.00 SOLV ATOM 27197 H1 TIP3 7068 -4.704 30.830 -29.523 0.00 0.00 SOLV ATOM 27198 H2 TIP3 7068 -4.043 31.497 -30.722 0.00 0.00 SOLV ATOM 27199 OH2 TIP3 7069 14.238 21.292 -15.647 0.00 0.00 SOLV ATOM 27200 H1 TIP3 7069 13.742 22.051 -15.985 0.00 0.00 SOLV ATOM 27201 H2 TIP3 7069 15.149 21.562 -15.747 0.00 0.00 SOLV ATOM 27202 OH2 TIP3 7070 24.838 17.140 -26.965 0.00 0.00 SOLV ATOM 27203 H1 TIP3 7070 24.521 17.423 -27.896 0.00 0.00 SOLV ATOM 27204 H2 TIP3 7070 25.601 16.501 -27.187 0.00 0.00 SOLV ATOM 27205 OH2 TIP3 7071 -9.810 25.577 -5.970 0.00 0.00 SOLV ATOM 27206 H1 TIP3 7071 -9.273 26.211 -5.525 0.00 0.00 SOLV ATOM 27207 H2 TIP3 7071 -9.908 25.810 -6.967 0.00 0.00 SOLV ATOM 27208 OH2 TIP3 7072 20.264 22.033 -6.883 0.00 0.00 SOLV ATOM 27209 H1 TIP3 7072 20.368 22.342 -7.782 0.00 0.00 SOLV ATOM 27210 H2 TIP3 7072 19.561 21.331 -6.967 0.00 0.00 SOLV ATOM 27211 OH2 TIP3 7073 -5.389 19.908 -23.044 0.00 0.00 SOLV ATOM 27212 H1 TIP3 7073 -6.282 20.100 -23.233 0.00 0.00 SOLV ATOM 27213 H2 TIP3 7073 -5.015 19.640 -23.950 0.00 0.00 SOLV ATOM 27214 OH2 TIP3 7074 18.330 18.288 -51.076 0.00 0.00 SOLV ATOM 27215 H1 TIP3 7074 17.665 17.670 -50.717 0.00 0.00 SOLV ATOM 27216 H2 TIP3 7074 18.164 19.113 -50.582 0.00 0.00 SOLV ATOM 27217 OH2 TIP3 7075 31.935 21.999 -16.855 0.00 0.00 SOLV ATOM 27218 H1 TIP3 7075 31.958 22.934 -16.772 0.00 0.00 SOLV ATOM 27219 H2 TIP3 7075 32.662 21.683 -16.283 0.00 0.00 SOLV ATOM 27220 OH2 TIP3 7076 1.466 28.177 6.448 0.00 0.00 SOLV ATOM 27221 H1 TIP3 7076 1.964 27.558 7.004 0.00 0.00 SOLV ATOM 27222 H2 TIP3 7076 0.768 28.527 6.972 0.00 0.00 SOLV ATOM 27223 OH2 TIP3 7077 15.500 24.837 7.233 0.00 0.00 SOLV ATOM 27224 H1 TIP3 7077 15.834 24.389 6.406 0.00 0.00 SOLV ATOM 27225 H2 TIP3 7077 15.159 25.631 6.835 0.00 0.00 SOLV ATOM 27226 OH2 TIP3 7078 11.418 25.557 -31.215 0.00 0.00 SOLV ATOM 27227 H1 TIP3 7078 11.969 25.306 -30.461 0.00 0.00 SOLV ATOM 27228 H2 TIP3 7078 11.950 25.353 -31.962 0.00 0.00 SOLV ATOM 27229 OH2 TIP3 7079 -13.251 3.191 -9.972 0.00 0.00 SOLV ATOM 27230 H1 TIP3 7079 -12.351 3.210 -9.558 0.00 0.00 SOLV ATOM 27231 H2 TIP3 7079 -13.370 2.298 -10.369 0.00 0.00 SOLV ATOM 27232 OH2 TIP3 7080 18.708 24.351 -0.848 0.00 0.00 SOLV ATOM 27233 H1 TIP3 7080 19.626 24.391 -0.639 0.00 0.00 SOLV ATOM 27234 H2 TIP3 7080 18.617 24.652 -1.750 0.00 0.00 SOLV ATOM 27235 OH2 TIP3 7081 3.649 23.550 -40.765 0.00 0.00 SOLV ATOM 27236 H1 TIP3 7081 3.516 24.513 -40.573 0.00 0.00 SOLV ATOM 27237 H2 TIP3 7081 3.818 23.523 -41.768 0.00 0.00 SOLV ATOM 27238 OH2 TIP3 7082 4.127 15.341 -38.414 0.00 0.00 SOLV ATOM 27239 H1 TIP3 7082 4.399 15.643 -39.348 0.00 0.00 SOLV ATOM 27240 H2 TIP3 7082 4.647 14.492 -38.260 0.00 0.00 SOLV ATOM 27241 OH2 TIP3 7083 1.362 16.741 -35.267 0.00 0.00 SOLV ATOM 27242 H1 TIP3 7083 1.172 17.165 -34.391 0.00 0.00 SOLV ATOM 27243 H2 TIP3 7083 1.477 17.570 -35.887 0.00 0.00 SOLV ATOM 27244 OH2 TIP3 7084 7.795 -8.305 11.176 0.00 0.00 SOLV ATOM 27245 H1 TIP3 7084 8.177 -9.204 11.107 0.00 0.00 SOLV ATOM 27246 H2 TIP3 7084 6.911 -8.466 11.577 0.00 0.00 SOLV ATOM 27247 OH2 TIP3 7085 10.458 21.399 -8.347 0.00 0.00 SOLV ATOM 27248 H1 TIP3 7085 9.898 21.790 -7.677 0.00 0.00 SOLV ATOM 27249 H2 TIP3 7085 9.827 21.101 -9.019 0.00 0.00 SOLV ATOM 27250 OH2 TIP3 7086 15.590 17.964 -47.459 0.00 0.00 SOLV ATOM 27251 H1 TIP3 7086 15.693 17.380 -46.705 0.00 0.00 SOLV ATOM 27252 H2 TIP3 7086 16.488 18.264 -47.648 0.00 0.00 SOLV ATOM 27253 OH2 TIP3 7087 14.955 29.358 -39.402 0.00 0.00 SOLV ATOM 27254 H1 TIP3 7087 15.168 29.775 -38.554 0.00 0.00 SOLV ATOM 27255 H2 TIP3 7087 14.128 29.867 -39.579 0.00 0.00 SOLV ATOM 27256 OH2 TIP3 7088 24.218 28.531 -27.431 0.00 0.00 SOLV ATOM 27257 H1 TIP3 7088 25.157 28.420 -27.403 0.00 0.00 SOLV ATOM 27258 H2 TIP3 7088 23.980 27.683 -27.912 0.00 0.00 SOLV ATOM 27259 OH2 TIP3 7089 5.900 22.960 -43.187 0.00 0.00 SOLV ATOM 27260 H1 TIP3 7089 6.358 23.716 -43.580 0.00 0.00 SOLV ATOM 27261 H2 TIP3 7089 6.650 22.276 -43.013 0.00 0.00 SOLV ATOM 27262 OH2 TIP3 7090 14.306 26.951 -18.034 0.00 0.00 SOLV ATOM 27263 H1 TIP3 7090 14.589 26.041 -18.125 0.00 0.00 SOLV ATOM 27264 H2 TIP3 7090 13.352 26.859 -17.815 0.00 0.00 SOLV ATOM 27265 OH2 TIP3 7091 18.787 25.365 -41.046 0.00 0.00 SOLV ATOM 27266 H1 TIP3 7091 19.560 26.003 -41.020 0.00 0.00 SOLV ATOM 27267 H2 TIP3 7091 17.984 26.005 -40.962 0.00 0.00 SOLV ATOM 27268 OH2 TIP3 7092 5.900 35.740 -8.110 0.00 0.00 SOLV ATOM 27269 H1 TIP3 7092 5.802 35.292 -7.255 0.00 0.00 SOLV ATOM 27270 H2 TIP3 7092 5.519 35.103 -8.709 0.00 0.00 SOLV ATOM 27271 OH2 TIP3 7093 16.680 17.093 -7.009 0.00 0.00 SOLV ATOM 27272 H1 TIP3 7093 17.343 17.691 -6.562 0.00 0.00 SOLV ATOM 27273 H2 TIP3 7093 17.202 16.899 -7.832 0.00 0.00 SOLV ATOM 27274 OH2 TIP3 7094 21.008 17.406 -43.363 0.00 0.00 SOLV ATOM 27275 H1 TIP3 7094 20.131 17.749 -43.180 0.00 0.00 SOLV ATOM 27276 H2 TIP3 7094 21.493 18.205 -43.272 0.00 0.00 SOLV ATOM 27277 OH2 TIP3 7095 6.072 9.181 -39.325 0.00 0.00 SOLV ATOM 27278 H1 TIP3 7095 6.839 9.085 -39.900 0.00 0.00 SOLV ATOM 27279 H2 TIP3 7095 6.015 8.243 -38.911 0.00 0.00 SOLV ATOM 27280 OH2 TIP3 7096 15.280 26.635 -31.815 0.00 0.00 SOLV ATOM 27281 H1 TIP3 7096 15.381 26.673 -32.789 0.00 0.00 SOLV ATOM 27282 H2 TIP3 7096 15.262 25.712 -31.615 0.00 0.00 SOLV ATOM 27283 OH2 TIP3 7097 6.302 33.851 -27.134 0.00 0.00 SOLV ATOM 27284 H1 TIP3 7097 6.202 34.792 -26.911 0.00 0.00 SOLV ATOM 27285 H2 TIP3 7097 7.247 33.708 -26.974 0.00 0.00 SOLV ATOM 27286 OH2 TIP3 7098 13.090 25.413 -13.420 0.00 0.00 SOLV ATOM 27287 H1 TIP3 7098 13.000 25.649 -12.436 0.00 0.00 SOLV ATOM 27288 H2 TIP3 7098 13.851 25.972 -13.713 0.00 0.00 SOLV ATOM 27289 OH2 TIP3 7099 7.508 25.861 -6.420 0.00 0.00 SOLV ATOM 27290 H1 TIP3 7099 7.355 25.184 -7.060 0.00 0.00 SOLV ATOM 27291 H2 TIP3 7099 8.322 25.561 -5.987 0.00 0.00 SOLV ATOM 27292 OH2 TIP3 7100 6.646 31.958 -38.133 0.00 0.00 SOLV ATOM 27293 H1 TIP3 7100 7.301 32.699 -37.902 0.00 0.00 SOLV ATOM 27294 H2 TIP3 7100 6.933 31.204 -37.695 0.00 0.00 SOLV ATOM 27295 OH2 TIP3 7101 13.311 28.405 -30.410 0.00 0.00 SOLV ATOM 27296 H1 TIP3 7101 12.932 27.877 -29.661 0.00 0.00 SOLV ATOM 27297 H2 TIP3 7101 13.880 27.782 -30.891 0.00 0.00 SOLV ATOM 27298 OH2 TIP3 7102 11.325 31.459 -27.090 0.00 0.00 SOLV ATOM 27299 H1 TIP3 7102 11.671 32.079 -26.420 0.00 0.00 SOLV ATOM 27300 H2 TIP3 7102 11.784 30.678 -26.888 0.00 0.00 SOLV ATOM 27301 OH2 TIP3 7103 4.806 12.076 -38.022 0.00 0.00 SOLV ATOM 27302 H1 TIP3 7103 4.730 11.168 -37.653 0.00 0.00 SOLV ATOM 27303 H2 TIP3 7103 4.056 12.066 -38.642 0.00 0.00 SOLV ATOM 27304 OH2 TIP3 7104 15.709 24.453 -16.089 0.00 0.00 SOLV ATOM 27305 H1 TIP3 7104 16.008 23.712 -15.566 0.00 0.00 SOLV ATOM 27306 H2 TIP3 7104 14.966 23.986 -16.658 0.00 0.00 SOLV ATOM 27307 OH2 TIP3 7105 19.622 30.977 -12.834 0.00 0.00 SOLV ATOM 27308 H1 TIP3 7105 18.689 31.211 -12.912 0.00 0.00 SOLV ATOM 27309 H2 TIP3 7105 19.997 30.969 -13.741 0.00 0.00 SOLV ATOM 27310 OH2 TIP3 7106 8.679 11.335 -17.841 0.00 0.00 SOLV ATOM 27311 H1 TIP3 7106 8.343 10.468 -17.538 0.00 0.00 SOLV ATOM 27312 H2 TIP3 7106 8.197 12.001 -17.324 0.00 0.00 SOLV ATOM 27313 OH2 TIP3 7107 21.225 20.430 -45.181 0.00 0.00 SOLV ATOM 27314 H1 TIP3 7107 21.910 20.010 -44.723 0.00 0.00 SOLV ATOM 27315 H2 TIP3 7107 21.709 20.890 -45.903 0.00 0.00 SOLV ATOM 27316 OH2 TIP3 7108 22.399 16.602 -40.436 0.00 0.00 SOLV ATOM 27317 H1 TIP3 7108 21.709 16.923 -41.003 0.00 0.00 SOLV ATOM 27318 H2 TIP3 7108 22.782 15.871 -40.896 0.00 0.00 SOLV ATOM 27319 OH2 TIP3 7109 23.835 22.930 -23.411 0.00 0.00 SOLV ATOM 27320 H1 TIP3 7109 23.603 22.227 -24.030 0.00 0.00 SOLV ATOM 27321 H2 TIP3 7109 24.052 23.698 -23.962 0.00 0.00 SOLV ATOM 27322 OH2 TIP3 7110 0.343 21.283 -33.735 0.00 0.00 SOLV ATOM 27323 H1 TIP3 7110 1.291 21.412 -33.879 0.00 0.00 SOLV ATOM 27324 H2 TIP3 7110 0.141 21.563 -32.849 0.00 0.00 SOLV ATOM 27325 OH2 TIP3 7111 17.644 22.368 -28.080 0.00 0.00 SOLV ATOM 27326 H1 TIP3 7111 18.383 22.498 -28.686 0.00 0.00 SOLV ATOM 27327 H2 TIP3 7111 16.863 22.961 -28.356 0.00 0.00 SOLV ATOM 27328 OH2 TIP3 7112 6.255 24.829 -18.709 0.00 0.00 SOLV ATOM 27329 H1 TIP3 7112 5.806 25.505 -18.209 0.00 0.00 SOLV ATOM 27330 H2 TIP3 7112 7.209 25.080 -18.641 0.00 0.00 SOLV ATOM 27331 OH2 TIP3 7113 20.525 31.552 -15.400 0.00 0.00 SOLV ATOM 27332 H1 TIP3 7113 20.276 32.446 -15.412 0.00 0.00 SOLV ATOM 27333 H2 TIP3 7113 20.250 31.135 -16.271 0.00 0.00 SOLV ATOM 27334 OH2 TIP3 7114 22.345 31.203 -11.685 0.00 0.00 SOLV ATOM 27335 H1 TIP3 7114 21.383 31.145 -11.764 0.00 0.00 SOLV ATOM 27336 H2 TIP3 7114 22.478 31.365 -10.740 0.00 0.00 SOLV ATOM 27337 OH2 TIP3 7115 8.275 29.990 -15.538 0.00 0.00 SOLV ATOM 27338 H1 TIP3 7115 8.859 29.464 -14.984 0.00 0.00 SOLV ATOM 27339 H2 TIP3 7115 8.705 30.820 -15.615 0.00 0.00 SOLV ATOM 27340 OH2 TIP3 7116 18.170 20.716 -49.937 0.00 0.00 SOLV ATOM 27341 H1 TIP3 7116 18.891 21.253 -49.516 0.00 0.00 SOLV ATOM 27342 H2 TIP3 7116 17.362 21.080 -49.580 0.00 0.00 SOLV ATOM 27343 OH2 TIP3 7117 16.862 32.053 -32.493 0.00 0.00 SOLV ATOM 27344 H1 TIP3 7117 17.382 31.342 -32.139 0.00 0.00 SOLV ATOM 27345 H2 TIP3 7117 16.058 31.616 -32.863 0.00 0.00 SOLV ATOM 27346 OH2 TIP3 7118 7.756 24.698 -44.308 0.00 0.00 SOLV ATOM 27347 H1 TIP3 7118 6.892 24.858 -44.763 0.00 0.00 SOLV ATOM 27348 H2 TIP3 7118 8.200 25.594 -44.268 0.00 0.00 SOLV ATOM 27349 OH2 TIP3 7119 28.663 15.115 -31.550 0.00 0.00 SOLV ATOM 27350 H1 TIP3 7119 29.047 15.190 -30.694 0.00 0.00 SOLV ATOM 27351 H2 TIP3 7119 29.463 14.717 -32.022 0.00 0.00 SOLV ATOM 27352 OH2 TIP3 7120 21.520 19.418 -23.092 0.00 0.00 SOLV ATOM 27353 H1 TIP3 7120 21.732 19.817 -23.899 0.00 0.00 SOLV ATOM 27354 H2 TIP3 7120 22.392 19.194 -22.826 0.00 0.00 SOLV ATOM 27355 OH2 TIP3 7121 6.828 34.399 -3.155 0.00 0.00 SOLV ATOM 27356 H1 TIP3 7121 7.631 33.903 -2.700 0.00 0.00 SOLV ATOM 27357 H2 TIP3 7121 6.482 34.991 -2.459 0.00 0.00 SOLV ATOM 27358 OH2 TIP3 7122 26.654 20.153 -16.160 0.00 0.00 SOLV ATOM 27359 H1 TIP3 7122 27.230 20.098 -15.368 0.00 0.00 SOLV ATOM 27360 H2 TIP3 7122 25.855 19.833 -15.909 0.00 0.00 SOLV ATOM 27361 OH2 TIP3 7123 12.630 34.618 -33.654 0.00 0.00 SOLV ATOM 27362 H1 TIP3 7123 12.338 33.722 -33.817 0.00 0.00 SOLV ATOM 27363 H2 TIP3 7123 11.861 35.176 -34.009 0.00 0.00 SOLV ATOM 27364 OH2 TIP3 7124 23.677 31.113 -27.874 0.00 0.00 SOLV ATOM 27365 H1 TIP3 7124 23.987 30.191 -27.815 0.00 0.00 SOLV ATOM 27366 H2 TIP3 7124 23.074 31.014 -28.616 0.00 0.00 SOLV ATOM 27367 OH2 TIP3 7125 31.788 5.238 -28.036 0.00 0.00 SOLV ATOM 27368 H1 TIP3 7125 31.874 5.381 -28.967 0.00 0.00 SOLV ATOM 27369 H2 TIP3 7125 31.035 4.631 -27.998 0.00 0.00 SOLV ATOM 27370 OH2 TIP3 7126 17.924 28.052 -23.949 0.00 0.00 SOLV ATOM 27371 H1 TIP3 7126 17.265 27.919 -24.705 0.00 0.00 SOLV ATOM 27372 H2 TIP3 7126 18.804 27.976 -24.446 0.00 0.00 SOLV ATOM 27373 OH2 TIP3 7127 4.615 29.411 -18.883 0.00 0.00 SOLV ATOM 27374 H1 TIP3 7127 4.748 29.311 -17.891 0.00 0.00 SOLV ATOM 27375 H2 TIP3 7127 3.942 30.084 -18.912 0.00 0.00 SOLV ATOM 27376 OH2 TIP3 7128 8.879 32.138 -3.646 0.00 0.00 SOLV ATOM 27377 H1 TIP3 7128 8.191 31.585 -4.007 0.00 0.00 SOLV ATOM 27378 H2 TIP3 7128 8.746 32.148 -2.661 0.00 0.00 SOLV ATOM 27379 OH2 TIP3 7129 20.687 25.441 -22.648 0.00 0.00 SOLV ATOM 27380 H1 TIP3 7129 20.172 24.851 -23.163 0.00 0.00 SOLV ATOM 27381 H2 TIP3 7129 21.473 24.932 -22.272 0.00 0.00 SOLV ATOM 27382 OH2 TIP3 7130 17.339 27.824 -40.259 0.00 0.00 SOLV ATOM 27383 H1 TIP3 7130 17.781 28.645 -40.584 0.00 0.00 SOLV ATOM 27384 H2 TIP3 7130 16.427 28.209 -40.113 0.00 0.00 SOLV ATOM 27385 OH2 TIP3 7131 22.266 29.073 -32.896 0.00 0.00 SOLV ATOM 27386 H1 TIP3 7131 21.880 29.003 -32.047 0.00 0.00 SOLV ATOM 27387 H2 TIP3 7131 21.532 28.905 -33.486 0.00 0.00 SOLV ATOM 27388 OH2 TIP3 7132 10.577 33.570 -5.404 0.00 0.00 SOLV ATOM 27389 H1 TIP3 7132 10.258 32.923 -4.755 0.00 0.00 SOLV ATOM 27390 H2 TIP3 7132 11.173 34.090 -4.894 0.00 0.00 SOLV ATOM 27391 OH2 TIP3 7133 13.974 30.898 -29.533 0.00 0.00 SOLV ATOM 27392 H1 TIP3 7133 14.884 31.073 -29.792 0.00 0.00 SOLV ATOM 27393 H2 TIP3 7133 13.749 30.142 -30.106 0.00 0.00 SOLV ATOM 27394 OH2 TIP3 7134 8.301 33.796 -20.671 0.00 0.00 SOLV ATOM 27395 H1 TIP3 7134 8.848 34.523 -20.267 0.00 0.00 SOLV ATOM 27396 H2 TIP3 7134 8.908 33.108 -20.803 0.00 0.00 SOLV ATOM 27397 OH2 TIP3 7135 30.693 12.825 -15.235 0.00 0.00 SOLV ATOM 27398 H1 TIP3 7135 29.839 12.997 -15.674 0.00 0.00 SOLV ATOM 27399 H2 TIP3 7135 31.139 13.690 -15.388 0.00 0.00 SOLV ATOM 27400 OH2 TIP3 7136 1.367 34.006 -9.705 0.00 0.00 SOLV ATOM 27401 H1 TIP3 7136 1.981 34.670 -9.995 0.00 0.00 SOLV ATOM 27402 H2 TIP3 7136 1.575 33.934 -8.777 0.00 0.00 SOLV ATOM 27403 OH2 TIP3 7137 33.793 8.381 -15.489 0.00 0.00 SOLV ATOM 27404 H1 TIP3 7137 34.166 7.930 -14.748 0.00 0.00 SOLV ATOM 27405 H2 TIP3 7137 34.244 9.219 -15.458 0.00 0.00 SOLV ATOM 27406 OH2 TIP3 7138 7.122 25.256 -40.902 0.00 0.00 SOLV ATOM 27407 H1 TIP3 7138 7.791 25.677 -41.431 0.00 0.00 SOLV ATOM 27408 H2 TIP3 7138 6.355 25.247 -41.426 0.00 0.00 SOLV ATOM 27409 OH2 TIP3 7139 10.287 22.366 -38.322 0.00 0.00 SOLV ATOM 27410 H1 TIP3 7139 10.300 21.358 -38.410 0.00 0.00 SOLV ATOM 27411 H2 TIP3 7139 10.095 22.532 -37.396 0.00 0.00 SOLV ATOM 27412 OH2 TIP3 7140 -3.000 20.932 -30.314 0.00 0.00 SOLV ATOM 27413 H1 TIP3 7140 -3.395 20.052 -30.577 0.00 0.00 SOLV ATOM 27414 H2 TIP3 7140 -3.819 21.421 -30.100 0.00 0.00 SOLV ATOM 27415 OH2 TIP3 7141 23.374 22.042 -39.402 0.00 0.00 SOLV ATOM 27416 H1 TIP3 7141 23.468 22.307 -38.506 0.00 0.00 SOLV ATOM 27417 H2 TIP3 7141 23.428 22.920 -39.746 0.00 0.00 SOLV ATOM 27418 OH2 TIP3 7142 0.560 24.078 -28.228 0.00 0.00 SOLV ATOM 27419 H1 TIP3 7142 0.505 24.586 -29.054 0.00 0.00 SOLV ATOM 27420 H2 TIP3 7142 0.065 24.541 -27.501 0.00 0.00 SOLV ATOM 27421 OH2 TIP3 7143 6.786 21.323 -11.836 0.00 0.00 SOLV ATOM 27422 H1 TIP3 7143 7.405 21.059 -12.526 0.00 0.00 SOLV ATOM 27423 H2 TIP3 7143 6.493 20.471 -11.363 0.00 0.00 SOLV ATOM 27424 OH2 TIP3 7144 -11.243 -0.540 -9.405 0.00 0.00 SOLV ATOM 27425 H1 TIP3 7144 -11.726 -0.905 -8.638 0.00 0.00 SOLV ATOM 27426 H2 TIP3 7144 -11.892 -0.194 -10.111 0.00 0.00 SOLV ATOM 27427 OH2 TIP3 7145 23.077 26.025 -15.951 0.00 0.00 SOLV ATOM 27428 H1 TIP3 7145 22.103 26.173 -15.903 0.00 0.00 SOLV ATOM 27429 H2 TIP3 7145 23.125 25.306 -16.591 0.00 0.00 SOLV ATOM 27430 OH2 TIP3 7146 14.335 17.535 -5.565 0.00 0.00 SOLV ATOM 27431 H1 TIP3 7146 14.718 17.393 -4.699 0.00 0.00 SOLV ATOM 27432 H2 TIP3 7146 15.107 17.355 -6.143 0.00 0.00 SOLV ATOM 27433 OH2 TIP3 7147 15.235 26.576 2.197 0.00 0.00 SOLV ATOM 27434 H1 TIP3 7147 15.640 27.240 1.548 0.00 0.00 SOLV ATOM 27435 H2 TIP3 7147 14.304 26.859 2.274 0.00 0.00 SOLV ATOM 27436 OH2 TIP3 7148 -2.239 31.362 -5.146 0.00 0.00 SOLV ATOM 27437 H1 TIP3 7148 -1.318 31.252 -4.748 0.00 0.00 SOLV ATOM 27438 H2 TIP3 7148 -2.085 32.141 -5.674 0.00 0.00 SOLV ATOM 27439 OH2 TIP3 7149 14.952 21.489 -25.584 0.00 0.00 SOLV ATOM 27440 H1 TIP3 7149 15.121 22.086 -24.735 0.00 0.00 SOLV ATOM 27441 H2 TIP3 7149 15.265 20.638 -25.317 0.00 0.00 SOLV ATOM 27442 OH2 TIP3 7150 20.996 19.251 -50.111 0.00 0.00 SOLV ATOM 27443 H1 TIP3 7150 21.228 18.343 -49.867 0.00 0.00 SOLV ATOM 27444 H2 TIP3 7150 20.074 19.241 -50.226 0.00 0.00 SOLV ATOM 27445 OH2 TIP3 7151 8.111 21.016 -42.543 0.00 0.00 SOLV ATOM 27446 H1 TIP3 7151 8.047 20.231 -43.054 0.00 0.00 SOLV ATOM 27447 H2 TIP3 7151 9.039 21.300 -42.586 0.00 0.00 SOLV ATOM 27448 OH2 TIP3 7152 5.273 28.220 -40.349 0.00 0.00 SOLV ATOM 27449 H1 TIP3 7152 5.351 29.187 -40.461 0.00 0.00 SOLV ATOM 27450 H2 TIP3 7152 6.042 27.930 -40.866 0.00 0.00 SOLV ATOM 27451 OH2 TIP3 7153 10.232 29.362 -42.318 0.00 0.00 SOLV ATOM 27452 H1 TIP3 7153 10.719 29.023 -41.549 0.00 0.00 SOLV ATOM 27453 H2 TIP3 7153 9.385 28.962 -42.173 0.00 0.00 SOLV ATOM 27454 OH2 TIP3 7154 -16.118 20.898 -12.417 0.00 0.00 SOLV ATOM 27455 H1 TIP3 7154 -15.964 19.963 -12.673 0.00 0.00 SOLV ATOM 27456 H2 TIP3 7154 -15.527 21.011 -11.627 0.00 0.00 SOLV ATOM 27457 OH2 TIP3 7155 21.263 16.918 5.926 0.00 0.00 SOLV ATOM 27458 H1 TIP3 7155 21.512 17.851 6.199 0.00 0.00 SOLV ATOM 27459 H2 TIP3 7155 20.345 16.967 6.038 0.00 0.00 SOLV ATOM 27460 OH2 TIP3 7156 19.370 24.961 -10.879 0.00 0.00 SOLV ATOM 27461 H1 TIP3 7156 20.306 24.795 -10.979 0.00 0.00 SOLV ATOM 27462 H2 TIP3 7156 19.279 25.800 -11.336 0.00 0.00 SOLV ATOM 27463 OH2 TIP3 7157 14.637 21.877 4.261 0.00 0.00 SOLV ATOM 27464 H1 TIP3 7157 14.615 20.953 4.560 0.00 0.00 SOLV ATOM 27465 H2 TIP3 7157 13.881 22.276 4.736 0.00 0.00 SOLV ATOM 27466 OH2 TIP3 7158 13.300 28.481 -34.468 0.00 0.00 SOLV ATOM 27467 H1 TIP3 7158 12.489 28.003 -34.237 0.00 0.00 SOLV ATOM 27468 H2 TIP3 7158 13.989 27.878 -34.291 0.00 0.00 SOLV ATOM 27469 OH2 TIP3 7159 22.224 31.117 -34.787 0.00 0.00 SOLV ATOM 27470 H1 TIP3 7159 23.182 31.095 -35.001 0.00 0.00 SOLV ATOM 27471 H2 TIP3 7159 22.092 30.331 -34.248 0.00 0.00 SOLV ATOM 27472 OH2 TIP3 7160 -7.047 22.824 -35.559 0.00 0.00 SOLV ATOM 27473 H1 TIP3 7160 -6.696 22.029 -36.062 0.00 0.00 SOLV ATOM 27474 H2 TIP3 7160 -6.433 23.544 -35.803 0.00 0.00 SOLV ATOM 27475 OH2 TIP3 7161 8.645 36.250 -26.153 0.00 0.00 SOLV ATOM 27476 H1 TIP3 7161 9.578 36.629 -26.326 0.00 0.00 SOLV ATOM 27477 H2 TIP3 7161 8.863 35.398 -25.792 0.00 0.00 SOLV ATOM 27478 OH2 TIP3 7162 18.747 21.315 -12.338 0.00 0.00 SOLV ATOM 27479 H1 TIP3 7162 19.042 22.213 -12.121 0.00 0.00 SOLV ATOM 27480 H2 TIP3 7162 18.847 21.372 -13.302 0.00 0.00 SOLV ATOM 27481 OH2 TIP3 7163 21.756 16.622 -49.477 0.00 0.00 SOLV ATOM 27482 H1 TIP3 7163 21.071 16.112 -49.859 0.00 0.00 SOLV ATOM 27483 H2 TIP3 7163 21.798 16.244 -48.640 0.00 0.00 SOLV ATOM 27484 OH2 TIP3 7164 -6.160 9.180 26.757 0.00 0.00 SOLV ATOM 27485 H1 TIP3 7164 -5.407 9.173 27.442 0.00 0.00 SOLV ATOM 27486 H2 TIP3 7164 -6.394 8.227 26.586 0.00 0.00 SOLV ATOM 27487 OH2 TIP3 7165 -29.470 18.399 5.679 0.00 0.00 SOLV ATOM 27488 H1 TIP3 7165 -28.630 18.679 5.378 0.00 0.00 SOLV ATOM 27489 H2 TIP3 7165 -30.015 19.246 5.794 0.00 0.00 SOLV ATOM 27490 OH2 TIP3 7166 13.619 27.378 -3.384 0.00 0.00 SOLV ATOM 27491 H1 TIP3 7166 13.362 28.319 -3.344 0.00 0.00 SOLV ATOM 27492 H2 TIP3 7166 14.500 27.469 -3.666 0.00 0.00 SOLV ATOM 27493 OH2 TIP3 7167 20.924 28.282 -21.986 0.00 0.00 SOLV ATOM 27494 H1 TIP3 7167 20.495 28.351 -21.082 0.00 0.00 SOLV ATOM 27495 H2 TIP3 7167 20.481 27.477 -22.390 0.00 0.00 SOLV ATOM 27496 OH2 TIP3 7168 18.982 25.072 -30.795 0.00 0.00 SOLV ATOM 27497 H1 TIP3 7168 18.182 24.492 -30.669 0.00 0.00 SOLV ATOM 27498 H2 TIP3 7168 19.072 25.097 -31.746 0.00 0.00 SOLV ATOM 27499 OH2 TIP3 7169 23.060 19.545 -43.419 0.00 0.00 SOLV ATOM 27500 H1 TIP3 7169 23.800 20.258 -43.410 0.00 0.00 SOLV ATOM 27501 H2 TIP3 7169 23.580 18.704 -43.430 0.00 0.00 SOLV ATOM 27502 OH2 TIP3 7170 13.086 25.441 -33.882 0.00 0.00 SOLV ATOM 27503 H1 TIP3 7170 13.978 25.138 -34.097 0.00 0.00 SOLV ATOM 27504 H2 TIP3 7170 12.509 24.653 -33.827 0.00 0.00 SOLV ATOM 27505 OH2 TIP3 7171 17.837 33.510 -25.059 0.00 0.00 SOLV ATOM 27506 H1 TIP3 7171 16.989 33.974 -24.988 0.00 0.00 SOLV ATOM 27507 H2 TIP3 7171 17.961 33.559 -26.038 0.00 0.00 SOLV ATOM 27508 OH2 TIP3 7172 19.083 19.858 -9.556 0.00 0.00 SOLV ATOM 27509 H1 TIP3 7172 18.683 20.683 -9.719 0.00 0.00 SOLV ATOM 27510 H2 TIP3 7172 18.999 19.343 -10.378 0.00 0.00 SOLV ATOM 27511 OH2 TIP3 7173 0.479 25.222 -20.939 0.00 0.00 SOLV ATOM 27512 H1 TIP3 7173 -0.007 24.870 -21.647 0.00 0.00 SOLV ATOM 27513 H2 TIP3 7173 1.388 25.288 -21.293 0.00 0.00 SOLV ATOM 27514 OH2 TIP3 7174 16.945 20.098 -5.005 0.00 0.00 SOLV ATOM 27515 H1 TIP3 7174 17.684 19.942 -5.595 0.00 0.00 SOLV ATOM 27516 H2 TIP3 7174 17.278 19.603 -4.201 0.00 0.00 SOLV ATOM 27517 OH2 TIP3 7175 9.555 25.633 -42.048 0.00 0.00 SOLV ATOM 27518 H1 TIP3 7175 10.166 25.802 -41.302 0.00 0.00 SOLV ATOM 27519 H2 TIP3 7175 10.084 25.067 -42.603 0.00 0.00 SOLV ATOM 27520 OH2 TIP3 7176 7.411 19.655 -48.211 0.00 0.00 SOLV ATOM 27521 H1 TIP3 7176 7.908 18.788 -48.173 0.00 0.00 SOLV ATOM 27522 H2 TIP3 7176 7.912 20.252 -47.643 0.00 0.00 SOLV ATOM 27523 OH2 TIP3 7177 19.661 21.921 -23.205 0.00 0.00 SOLV ATOM 27524 H1 TIP3 7177 19.325 22.101 -24.131 0.00 0.00 SOLV ATOM 27525 H2 TIP3 7177 19.986 21.048 -23.266 0.00 0.00 SOLV ATOM 27526 OH2 TIP3 7178 12.190 33.195 -29.616 0.00 0.00 SOLV ATOM 27527 H1 TIP3 7178 12.619 32.596 -29.071 0.00 0.00 SOLV ATOM 27528 H2 TIP3 7178 12.804 33.218 -30.379 0.00 0.00 SOLV ATOM 27529 OH2 TIP3 7179 19.779 22.916 -20.663 0.00 0.00 SOLV ATOM 27530 H1 TIP3 7179 19.619 22.381 -21.472 0.00 0.00 SOLV ATOM 27531 H2 TIP3 7179 20.722 23.179 -20.729 0.00 0.00 SOLV ATOM 27532 OH2 TIP3 7180 10.844 23.464 -14.217 0.00 0.00 SOLV ATOM 27533 H1 TIP3 7180 9.994 23.976 -14.256 0.00 0.00 SOLV ATOM 27534 H2 TIP3 7180 11.488 24.197 -14.141 0.00 0.00 SOLV ATOM 27535 OH2 TIP3 7181 21.654 22.321 -4.595 0.00 0.00 SOLV ATOM 27536 H1 TIP3 7181 21.189 22.083 -5.454 0.00 0.00 SOLV ATOM 27537 H2 TIP3 7181 21.874 23.219 -4.677 0.00 0.00 SOLV ATOM 27538 OH2 TIP3 7182 17.666 27.406 -21.153 0.00 0.00 SOLV ATOM 27539 H1 TIP3 7182 17.938 27.422 -22.117 0.00 0.00 SOLV ATOM 27540 H2 TIP3 7182 16.716 27.517 -21.135 0.00 0.00 SOLV ATOM 27541 OH2 TIP3 7183 10.534 34.684 -31.006 0.00 0.00 SOLV ATOM 27542 H1 TIP3 7183 11.211 34.181 -30.536 0.00 0.00 SOLV ATOM 27543 H2 TIP3 7183 9.974 33.950 -31.463 0.00 0.00 SOLV ATOM 27544 OH2 TIP3 7184 16.566 28.700 -16.342 0.00 0.00 SOLV ATOM 27545 H1 TIP3 7184 16.032 28.608 -17.152 0.00 0.00 SOLV ATOM 27546 H2 TIP3 7184 17.082 29.404 -16.501 0.00 0.00 SOLV ATOM 27547 OH2 TIP3 7185 17.902 30.557 -22.596 0.00 0.00 SOLV ATOM 27548 H1 TIP3 7185 18.612 30.961 -23.078 0.00 0.00 SOLV ATOM 27549 H2 TIP3 7185 17.939 29.615 -22.968 0.00 0.00 SOLV ATOM 27550 OH2 TIP3 7186 21.779 24.588 -27.377 0.00 0.00 SOLV ATOM 27551 H1 TIP3 7186 21.536 23.747 -27.794 0.00 0.00 SOLV ATOM 27552 H2 TIP3 7186 21.052 24.720 -26.738 0.00 0.00 SOLV ATOM 27553 OH2 TIP3 7187 4.885 30.277 -9.349 0.00 0.00 SOLV ATOM 27554 H1 TIP3 7187 5.046 29.619 -9.989 0.00 0.00 SOLV ATOM 27555 H2 TIP3 7187 3.872 30.192 -9.199 0.00 0.00 SOLV ATOM 27556 OH2 TIP3 7188 19.584 23.873 -38.505 0.00 0.00 SOLV ATOM 27557 H1 TIP3 7188 19.946 23.022 -38.268 0.00 0.00 SOLV ATOM 27558 H2 TIP3 7188 18.618 23.705 -38.525 0.00 0.00 SOLV ATOM 27559 OH2 TIP3 7189 11.689 26.978 -17.431 0.00 0.00 SOLV ATOM 27560 H1 TIP3 7189 11.537 27.855 -17.083 0.00 0.00 SOLV ATOM 27561 H2 TIP3 7189 10.915 26.482 -17.180 0.00 0.00 SOLV ATOM 27562 OH2 TIP3 7190 16.464 24.208 -7.766 0.00 0.00 SOLV ATOM 27563 H1 TIP3 7190 15.584 23.847 -7.927 0.00 0.00 SOLV ATOM 27564 H2 TIP3 7190 16.538 23.990 -6.801 0.00 0.00 SOLV ATOM 27565 OH2 TIP3 7191 13.663 36.561 -27.667 0.00 0.00 SOLV ATOM 27566 H1 TIP3 7191 13.453 37.247 -27.029 0.00 0.00 SOLV ATOM 27567 H2 TIP3 7191 14.116 37.096 -28.406 0.00 0.00 SOLV ATOM 27568 OH2 TIP3 7192 6.802 30.065 -29.475 0.00 0.00 SOLV ATOM 27569 H1 TIP3 7192 7.627 30.624 -29.352 0.00 0.00 SOLV ATOM 27570 H2 TIP3 7192 6.969 29.320 -28.830 0.00 0.00 SOLV ATOM 27571 OH2 TIP3 7193 -1.929 15.281 -28.848 0.00 0.00 SOLV ATOM 27572 H1 TIP3 7193 -1.536 15.165 -27.939 0.00 0.00 SOLV ATOM 27573 H2 TIP3 7193 -1.392 16.009 -29.171 0.00 0.00 SOLV ATOM 27574 OH2 TIP3 7194 24.375 27.043 -21.282 0.00 0.00 SOLV ATOM 27575 H1 TIP3 7194 24.680 26.145 -20.991 0.00 0.00 SOLV ATOM 27576 H2 TIP3 7194 23.508 27.045 -20.834 0.00 0.00 SOLV ATOM 27577 OH2 TIP3 7195 10.222 29.533 2.498 0.00 0.00 SOLV ATOM 27578 H1 TIP3 7195 9.317 29.480 2.855 0.00 0.00 SOLV ATOM 27579 H2 TIP3 7195 10.511 28.628 2.370 0.00 0.00 SOLV ATOM 27580 OH2 TIP3 7196 10.906 29.953 -0.156 0.00 0.00 SOLV ATOM 27581 H1 TIP3 7196 11.761 29.649 0.117 0.00 0.00 SOLV ATOM 27582 H2 TIP3 7196 10.451 30.111 0.653 0.00 0.00 SOLV ATOM 27583 OH2 TIP3 7197 10.858 29.763 -6.177 0.00 0.00 SOLV ATOM 27584 H1 TIP3 7197 10.072 29.465 -5.711 0.00 0.00 SOLV ATOM 27585 H2 TIP3 7197 10.552 29.990 -7.019 0.00 0.00 SOLV ATOM 27586 OH2 TIP3 7198 18.262 33.758 -20.224 0.00 0.00 SOLV ATOM 27587 H1 TIP3 7198 17.888 33.882 -19.351 0.00 0.00 SOLV ATOM 27588 H2 TIP3 7198 17.466 33.490 -20.760 0.00 0.00 SOLV ATOM 27589 OH2 TIP3 7199 11.338 31.173 -14.827 0.00 0.00 SOLV ATOM 27590 H1 TIP3 7199 11.055 31.116 -13.895 0.00 0.00 SOLV ATOM 27591 H2 TIP3 7199 12.097 30.573 -14.823 0.00 0.00 SOLV ATOM 27592 OH2 TIP3 7200 33.860 11.823 -15.296 0.00 0.00 SOLV ATOM 27593 H1 TIP3 7200 33.608 12.638 -15.791 0.00 0.00 SOLV ATOM 27594 H2 TIP3 7200 33.032 11.645 -14.769 0.00 0.00 SOLV ATOM 27595 OH2 TIP3 7201 17.530 31.008 -17.434 0.00 0.00 SOLV ATOM 27596 H1 TIP3 7201 18.499 30.774 -17.610 0.00 0.00 SOLV ATOM 27597 H2 TIP3 7201 17.162 31.220 -18.265 0.00 0.00 SOLV ATOM 27598 OH2 TIP3 7202 21.312 18.063 -5.998 0.00 0.00 SOLV ATOM 27599 H1 TIP3 7202 20.881 18.214 -5.129 0.00 0.00 SOLV ATOM 27600 H2 TIP3 7202 22.092 18.647 -5.991 0.00 0.00 SOLV ATOM 27601 OH2 TIP3 7203 20.819 20.232 2.435 0.00 0.00 SOLV ATOM 27602 H1 TIP3 7203 20.192 20.975 2.333 0.00 0.00 SOLV ATOM 27603 H2 TIP3 7203 20.385 19.413 2.096 0.00 0.00 SOLV ATOM 27604 OH2 TIP3 7204 22.572 28.709 -37.273 0.00 0.00 SOLV ATOM 27605 H1 TIP3 7204 23.378 28.978 -36.801 0.00 0.00 SOLV ATOM 27606 H2 TIP3 7204 22.858 27.902 -37.730 0.00 0.00 SOLV ATOM 27607 OH2 TIP3 7205 -3.445 4.752 -36.376 0.00 0.00 SOLV ATOM 27608 H1 TIP3 7205 -3.978 4.794 -35.513 0.00 0.00 SOLV ATOM 27609 H2 TIP3 7205 -3.932 5.356 -36.878 0.00 0.00 SOLV ATOM 27610 OH2 TIP3 7206 19.128 23.714 5.845 0.00 0.00 SOLV ATOM 27611 H1 TIP3 7206 18.237 23.827 5.446 0.00 0.00 SOLV ATOM 27612 H2 TIP3 7206 19.642 24.447 5.569 0.00 0.00 SOLV ATOM 27613 OH2 TIP3 7207 13.689 20.528 -38.607 0.00 0.00 SOLV ATOM 27614 H1 TIP3 7207 13.230 21.073 -39.241 0.00 0.00 SOLV ATOM 27615 H2 TIP3 7207 14.215 19.945 -39.190 0.00 0.00 SOLV ATOM 27616 OH2 TIP3 7208 9.054 17.366 -48.146 0.00 0.00 SOLV ATOM 27617 H1 TIP3 7208 8.758 17.195 -47.169 0.00 0.00 SOLV ATOM 27618 H2 TIP3 7208 9.554 16.588 -48.368 0.00 0.00 SOLV ATOM 27619 OH2 TIP3 7209 23.751 18.671 -47.981 0.00 0.00 SOLV ATOM 27620 H1 TIP3 7209 23.091 18.935 -48.557 0.00 0.00 SOLV ATOM 27621 H2 TIP3 7209 23.575 17.774 -47.691 0.00 0.00 SOLV ATOM 27622 OH2 TIP3 7210 -7.906 5.697 -27.656 0.00 0.00 SOLV ATOM 27623 H1 TIP3 7210 -8.140 6.377 -26.997 0.00 0.00 SOLV ATOM 27624 H2 TIP3 7210 -8.487 4.937 -27.436 0.00 0.00 SOLV ATOM 27625 OH2 TIP3 7211 8.616 27.861 -12.090 0.00 0.00 SOLV ATOM 27626 H1 TIP3 7211 9.346 27.376 -11.592 0.00 0.00 SOLV ATOM 27627 H2 TIP3 7211 9.090 28.167 -12.882 0.00 0.00 SOLV ATOM 27628 OH2 TIP3 7212 17.580 24.289 -43.911 0.00 0.00 SOLV ATOM 27629 H1 TIP3 7212 18.255 24.017 -44.566 0.00 0.00 SOLV ATOM 27630 H2 TIP3 7212 17.942 23.918 -43.114 0.00 0.00 SOLV ATOM 27631 OH2 TIP3 7213 22.725 21.580 -8.537 0.00 0.00 SOLV ATOM 27632 H1 TIP3 7213 22.240 22.125 -7.919 0.00 0.00 SOLV ATOM 27633 H2 TIP3 7213 23.348 20.990 -7.949 0.00 0.00 SOLV ATOM 27634 OH2 TIP3 7214 12.845 23.694 5.946 0.00 0.00 SOLV ATOM 27635 H1 TIP3 7214 12.771 22.964 6.599 0.00 0.00 SOLV ATOM 27636 H2 TIP3 7214 13.534 24.195 6.289 0.00 0.00 SOLV ATOM 27637 OH2 TIP3 7215 13.925 20.342 -47.526 0.00 0.00 SOLV ATOM 27638 H1 TIP3 7215 14.450 19.529 -47.406 0.00 0.00 SOLV ATOM 27639 H2 TIP3 7215 13.375 20.323 -46.699 0.00 0.00 SOLV ATOM 27640 OH2 TIP3 7216 12.018 27.908 -40.783 0.00 0.00 SOLV ATOM 27641 H1 TIP3 7216 11.694 27.323 -40.056 0.00 0.00 SOLV ATOM 27642 H2 TIP3 7216 12.448 27.303 -41.447 0.00 0.00 SOLV ATOM 27643 OH2 TIP3 7217 11.266 17.764 -45.528 0.00 0.00 SOLV ATOM 27644 H1 TIP3 7217 11.764 16.904 -45.629 0.00 0.00 SOLV ATOM 27645 H2 TIP3 7217 10.387 17.420 -45.320 0.00 0.00 SOLV ATOM 27646 OH2 TIP3 7218 10.571 22.348 -35.271 0.00 0.00 SOLV ATOM 27647 H1 TIP3 7218 11.334 22.624 -34.754 0.00 0.00 SOLV ATOM 27648 H2 TIP3 7218 10.442 21.376 -35.119 0.00 0.00 SOLV ATOM 27649 OH2 TIP3 7219 14.827 34.090 -26.261 0.00 0.00 SOLV ATOM 27650 H1 TIP3 7219 14.119 33.780 -25.721 0.00 0.00 SOLV ATOM 27651 H2 TIP3 7219 14.498 34.954 -26.665 0.00 0.00 SOLV ATOM 27652 OH2 TIP3 7220 -26.804 21.094 -0.416 0.00 0.00 SOLV ATOM 27653 H1 TIP3 7220 -26.377 20.662 -1.231 0.00 0.00 SOLV ATOM 27654 H2 TIP3 7220 -26.300 21.944 -0.200 0.00 0.00 SOLV ATOM 27655 OH2 TIP3 7221 22.747 18.490 3.121 0.00 0.00 SOLV ATOM 27656 H1 TIP3 7221 22.823 18.337 4.108 0.00 0.00 SOLV ATOM 27657 H2 TIP3 7221 22.126 19.224 2.994 0.00 0.00 SOLV ATOM 27658 OH2 TIP3 7222 10.916 20.991 -43.027 0.00 0.00 SOLV ATOM 27659 H1 TIP3 7222 10.833 21.906 -43.378 0.00 0.00 SOLV ATOM 27660 H2 TIP3 7222 11.205 20.509 -43.825 0.00 0.00 SOLV ATOM 27661 OH2 TIP3 7223 19.862 31.668 -24.121 0.00 0.00 SOLV ATOM 27662 H1 TIP3 7223 19.357 32.372 -24.447 0.00 0.00 SOLV ATOM 27663 H2 TIP3 7223 20.148 31.130 -24.933 0.00 0.00 SOLV ATOM 27664 OH2 TIP3 7224 10.075 28.072 -14.266 0.00 0.00 SOLV ATOM 27665 H1 TIP3 7224 10.948 28.316 -14.532 0.00 0.00 SOLV ATOM 27666 H2 TIP3 7224 9.920 27.265 -14.740 0.00 0.00 SOLV ATOM 27667 OH2 TIP3 7225 -0.062 34.153 -2.037 0.00 0.00 SOLV ATOM 27668 H1 TIP3 7225 0.056 34.450 -2.988 0.00 0.00 SOLV ATOM 27669 H2 TIP3 7225 -0.846 34.652 -1.671 0.00 0.00 SOLV ATOM 27670 OH2 TIP3 7226 15.308 21.358 -43.444 0.00 0.00 SOLV ATOM 27671 H1 TIP3 7226 15.014 21.526 -44.293 0.00 0.00 SOLV ATOM 27672 H2 TIP3 7226 16.264 21.136 -43.534 0.00 0.00 SOLV ATOM 27673 OH2 TIP3 7227 12.414 32.400 -24.713 0.00 0.00 SOLV ATOM 27674 H1 TIP3 7227 13.172 31.816 -24.546 0.00 0.00 SOLV ATOM 27675 H2 TIP3 7227 12.316 32.907 -23.879 0.00 0.00 SOLV ATOM 27676 OH2 TIP3 7228 15.799 27.016 -34.567 0.00 0.00 SOLV ATOM 27677 H1 TIP3 7228 15.737 26.372 -35.273 0.00 0.00 SOLV ATOM 27678 H2 TIP3 7228 16.318 27.780 -34.996 0.00 0.00 SOLV ATOM 27679 OH2 TIP3 7229 23.430 25.930 -38.226 0.00 0.00 SOLV ATOM 27680 H1 TIP3 7229 24.187 25.850 -38.876 0.00 0.00 SOLV ATOM 27681 H2 TIP3 7229 22.734 25.545 -38.754 0.00 0.00 SOLV ATOM 27682 OH2 TIP3 7230 21.498 30.829 -22.075 0.00 0.00 SOLV ATOM 27683 H1 TIP3 7230 21.342 29.879 -22.288 0.00 0.00 SOLV ATOM 27684 H2 TIP3 7230 20.827 31.253 -22.666 0.00 0.00 SOLV ATOM 27685 OH2 TIP3 7231 5.696 6.937 -6.149 0.00 0.00 SOLV ATOM 27686 H1 TIP3 7231 5.742 7.478 -6.960 0.00 0.00 SOLV ATOM 27687 H2 TIP3 7231 4.778 6.539 -6.199 0.00 0.00 SOLV ATOM 27688 OH2 TIP3 7232 -4.537 -15.770 4.607 0.00 0.00 SOLV ATOM 27689 H1 TIP3 7232 -3.669 -15.811 5.071 0.00 0.00 SOLV ATOM 27690 H2 TIP3 7232 -4.353 -16.234 3.784 0.00 0.00 SOLV ATOM 27691 OH2 TIP3 7233 19.367 26.640 -38.256 0.00 0.00 SOLV ATOM 27692 H1 TIP3 7233 19.577 25.650 -38.312 0.00 0.00 SOLV ATOM 27693 H2 TIP3 7233 18.819 26.781 -39.020 0.00 0.00 SOLV ATOM 27694 OH2 TIP3 7234 16.368 26.155 -37.744 0.00 0.00 SOLV ATOM 27695 H1 TIP3 7234 15.973 25.703 -38.479 0.00 0.00 SOLV ATOM 27696 H2 TIP3 7234 17.113 26.576 -38.102 0.00 0.00 SOLV ATOM 27697 OH2 TIP3 7235 23.329 32.159 -15.940 0.00 0.00 SOLV ATOM 27698 H1 TIP3 7235 23.366 32.894 -16.675 0.00 0.00 SOLV ATOM 27699 H2 TIP3 7235 22.510 31.765 -16.210 0.00 0.00 SOLV ATOM 27700 OH2 TIP3 7236 16.420 23.878 4.623 0.00 0.00 SOLV ATOM 27701 H1 TIP3 7236 15.758 23.185 4.828 0.00 0.00 SOLV ATOM 27702 H2 TIP3 7236 16.541 23.770 3.680 0.00 0.00 SOLV ATOM 27703 OH2 TIP3 7237 12.008 26.444 -36.745 0.00 0.00 SOLV ATOM 27704 H1 TIP3 7237 12.336 25.580 -37.072 0.00 0.00 SOLV ATOM 27705 H2 TIP3 7237 12.194 26.374 -35.810 0.00 0.00 SOLV ATOM 27706 OH2 TIP3 7238 22.081 24.587 -40.154 0.00 0.00 SOLV ATOM 27707 H1 TIP3 7238 21.187 24.482 -39.816 0.00 0.00 SOLV ATOM 27708 H2 TIP3 7238 22.024 24.363 -41.076 0.00 0.00 SOLV ATOM 27709 OH2 TIP3 7239 15.460 35.769 -22.466 0.00 0.00 SOLV ATOM 27710 H1 TIP3 7239 15.959 36.408 -22.952 0.00 0.00 SOLV ATOM 27711 H2 TIP3 7239 14.781 36.190 -21.873 0.00 0.00 SOLV ATOM 27712 OH2 TIP3 7240 6.315 35.934 -20.671 0.00 0.00 SOLV ATOM 27713 H1 TIP3 7240 7.119 35.549 -21.059 0.00 0.00 SOLV ATOM 27714 H2 TIP3 7240 5.888 36.319 -21.470 0.00 0.00 SOLV ATOM 27715 OH2 TIP3 7241 16.134 16.681 -2.912 0.00 0.00 SOLV ATOM 27716 H1 TIP3 7241 16.704 16.128 -2.390 0.00 0.00 SOLV ATOM 27717 H2 TIP3 7241 16.708 17.399 -3.099 0.00 0.00 SOLV ATOM 27718 OH2 TIP3 7242 7.066 17.810 -19.105 0.00 0.00 SOLV ATOM 27719 H1 TIP3 7242 7.100 18.746 -18.706 0.00 0.00 SOLV ATOM 27720 H2 TIP3 7242 7.742 17.290 -18.632 0.00 0.00 SOLV ATOM 27721 OH2 TIP3 7243 20.033 22.915 -35.028 0.00 0.00 SOLV ATOM 27722 H1 TIP3 7243 19.124 23.023 -35.258 0.00 0.00 SOLV ATOM 27723 H2 TIP3 7243 20.375 22.572 -35.820 0.00 0.00 SOLV ATOM 27724 OH2 TIP3 7244 23.293 4.381 -10.628 0.00 0.00 SOLV ATOM 27725 H1 TIP3 7244 22.891 5.312 -10.579 0.00 0.00 SOLV ATOM 27726 H2 TIP3 7244 24.233 4.633 -10.535 0.00 0.00 SOLV ATOM 27727 OH2 TIP3 7245 18.857 27.331 -43.755 0.00 0.00 SOLV ATOM 27728 H1 TIP3 7245 19.332 26.745 -44.375 0.00 0.00 SOLV ATOM 27729 H2 TIP3 7245 18.688 26.816 -42.998 0.00 0.00 SOLV ATOM 27730 OH2 TIP3 7246 18.416 26.482 -13.425 0.00 0.00 SOLV ATOM 27731 H1 TIP3 7246 18.019 26.455 -14.323 0.00 0.00 SOLV ATOM 27732 H2 TIP3 7246 17.867 27.053 -12.899 0.00 0.00 SOLV ATOM 27733 OH2 TIP3 7247 32.587 7.821 -27.191 0.00 0.00 SOLV ATOM 27734 H1 TIP3 7247 32.778 6.898 -27.522 0.00 0.00 SOLV ATOM 27735 H2 TIP3 7247 31.584 7.904 -27.352 0.00 0.00 SOLV ATOM 27736 OH2 TIP3 7248 13.426 15.158 -12.825 0.00 0.00 SOLV ATOM 27737 H1 TIP3 7248 13.151 15.751 -12.099 0.00 0.00 SOLV ATOM 27738 H2 TIP3 7248 13.161 14.264 -12.552 0.00 0.00 SOLV ATOM 27739 OH2 TIP3 7249 24.379 21.667 5.025 0.00 0.00 SOLV ATOM 27740 H1 TIP3 7249 24.438 21.417 4.114 0.00 0.00 SOLV ATOM 27741 H2 TIP3 7249 23.639 22.330 4.913 0.00 0.00 SOLV ATOM 27742 OH2 TIP3 7250 13.576 22.343 -45.511 0.00 0.00 SOLV ATOM 27743 H1 TIP3 7250 13.889 22.149 -46.405 0.00 0.00 SOLV ATOM 27744 H2 TIP3 7250 12.805 21.690 -45.383 0.00 0.00 SOLV ATOM 27745 OH2 TIP3 7251 22.361 21.169 -25.450 0.00 0.00 SOLV ATOM 27746 H1 TIP3 7251 22.826 20.914 -26.276 0.00 0.00 SOLV ATOM 27747 H2 TIP3 7251 21.455 21.022 -25.810 0.00 0.00 SOLV ATOM 27748 OH2 TIP3 7252 10.598 22.732 -11.125 0.00 0.00 SOLV ATOM 27749 H1 TIP3 7252 10.095 21.913 -11.355 0.00 0.00 SOLV ATOM 27750 H2 TIP3 7252 11.475 22.547 -11.520 0.00 0.00 SOLV ATOM 27751 OH2 TIP3 7253 18.626 26.170 -28.253 0.00 0.00 SOLV ATOM 27752 H1 TIP3 7253 18.939 25.891 -29.114 0.00 0.00 SOLV ATOM 27753 H2 TIP3 7253 17.781 26.670 -28.500 0.00 0.00 SOLV ATOM 27754 OH2 TIP3 7254 15.270 17.443 -9.433 0.00 0.00 SOLV ATOM 27755 H1 TIP3 7254 15.703 16.615 -9.592 0.00 0.00 SOLV ATOM 27756 H2 TIP3 7254 15.177 17.613 -8.426 0.00 0.00 SOLV ATOM 27757 OH2 TIP3 7255 8.755 25.597 -32.085 0.00 0.00 SOLV ATOM 27758 H1 TIP3 7255 9.673 25.549 -31.741 0.00 0.00 SOLV ATOM 27759 H2 TIP3 7255 8.916 25.265 -32.958 0.00 0.00 SOLV ATOM 27760 OH2 TIP3 7256 10.402 23.542 20.811 0.00 0.00 SOLV ATOM 27761 H1 TIP3 7256 10.609 23.719 19.849 0.00 0.00 SOLV ATOM 27762 H2 TIP3 7256 9.471 23.825 21.009 0.00 0.00 SOLV ATOM 27763 OH2 TIP3 7257 19.718 18.837 11.961 0.00 0.00 SOLV ATOM 27764 H1 TIP3 7257 19.127 18.481 12.642 0.00 0.00 SOLV ATOM 27765 H2 TIP3 7257 19.558 19.849 12.101 0.00 0.00 SOLV ATOM 27766 OH2 TIP3 7258 9.896 21.324 17.575 0.00 0.00 SOLV ATOM 27767 H1 TIP3 7258 9.336 22.046 17.908 0.00 0.00 SOLV ATOM 27768 H2 TIP3 7258 10.214 21.740 16.723 0.00 0.00 SOLV ATOM 27769 OH2 TIP3 7259 22.518 22.376 18.400 0.00 0.00 SOLV ATOM 27770 H1 TIP3 7259 23.396 21.852 18.413 0.00 0.00 SOLV ATOM 27771 H2 TIP3 7259 22.806 23.211 18.726 0.00 0.00 SOLV ATOM 27772 OH2 TIP3 7260 23.664 24.428 19.650 0.00 0.00 SOLV ATOM 27773 H1 TIP3 7260 23.720 25.210 19.062 0.00 0.00 SOLV ATOM 27774 H2 TIP3 7260 23.881 24.803 20.517 0.00 0.00 SOLV ATOM 27775 OH2 TIP3 7261 9.580 26.362 10.045 0.00 0.00 SOLV ATOM 27776 H1 TIP3 7261 10.369 26.055 10.539 0.00 0.00 SOLV ATOM 27777 H2 TIP3 7261 8.819 26.200 10.649 0.00 0.00 SOLV ATOM 27778 OH2 TIP3 7262 6.028 4.059 -5.070 0.00 0.00 SOLV ATOM 27779 H1 TIP3 7262 6.581 3.606 -4.397 0.00 0.00 SOLV ATOM 27780 H2 TIP3 7262 5.812 4.927 -4.664 0.00 0.00 SOLV ATOM 27781 OH2 TIP3 7263 22.157 23.309 22.835 0.00 0.00 SOLV ATOM 27782 H1 TIP3 7263 21.440 22.719 22.575 0.00 0.00 SOLV ATOM 27783 H2 TIP3 7263 22.926 22.931 22.358 0.00 0.00 SOLV ATOM 27784 OH2 TIP3 7264 17.432 19.047 28.104 0.00 0.00 SOLV ATOM 27785 H1 TIP3 7264 16.514 18.963 28.424 0.00 0.00 SOLV ATOM 27786 H2 TIP3 7264 17.654 18.163 27.753 0.00 0.00 SOLV ATOM 27787 OH2 TIP3 7265 20.092 22.205 16.695 0.00 0.00 SOLV ATOM 27788 H1 TIP3 7265 20.715 22.245 17.470 0.00 0.00 SOLV ATOM 27789 H2 TIP3 7265 20.288 22.977 16.105 0.00 0.00 SOLV ATOM 27790 OH2 TIP3 7266 19.921 26.352 15.149 0.00 0.00 SOLV ATOM 27791 H1 TIP3 7266 20.815 26.669 14.990 0.00 0.00 SOLV ATOM 27792 H2 TIP3 7266 19.455 27.199 15.047 0.00 0.00 SOLV ATOM 27793 OH2 TIP3 7267 -18.428 22.662 10.898 0.00 0.00 SOLV ATOM 27794 H1 TIP3 7267 -19.295 22.265 11.250 0.00 0.00 SOLV ATOM 27795 H2 TIP3 7267 -18.049 22.079 10.278 0.00 0.00 SOLV ATOM 27796 OH2 TIP3 7268 19.850 20.627 27.358 0.00 0.00 SOLV ATOM 27797 H1 TIP3 7268 19.074 20.420 27.823 0.00 0.00 SOLV ATOM 27798 H2 TIP3 7268 20.459 20.799 28.116 0.00 0.00 SOLV ATOM 27799 OH2 TIP3 7269 21.499 20.988 29.588 0.00 0.00 SOLV ATOM 27800 H1 TIP3 7269 21.134 21.851 29.863 0.00 0.00 SOLV ATOM 27801 H2 TIP3 7269 22.458 21.218 29.596 0.00 0.00 SOLV ATOM 27802 OH2 TIP3 7270 -25.586 22.989 9.920 0.00 0.00 SOLV ATOM 27803 H1 TIP3 7270 -24.776 23.278 9.547 0.00 0.00 SOLV ATOM 27804 H2 TIP3 7270 -26.192 23.120 9.091 0.00 0.00 SOLV ATOM 27805 OH2 TIP3 7271 20.987 20.122 7.442 0.00 0.00 SOLV ATOM 27806 H1 TIP3 7271 20.892 19.366 8.080 0.00 0.00 SOLV ATOM 27807 H2 TIP3 7271 20.854 20.892 8.049 0.00 0.00 SOLV ATOM 27808 OH2 TIP3 7272 -27.109 18.338 10.412 0.00 0.00 SOLV ATOM 27809 H1 TIP3 7272 -26.802 19.101 10.842 0.00 0.00 SOLV ATOM 27810 H2 TIP3 7272 -27.788 17.997 10.997 0.00 0.00 SOLV ATOM 27811 OH2 TIP3 7273 17.057 21.772 19.178 0.00 0.00 SOLV ATOM 27812 H1 TIP3 7273 17.312 22.522 19.625 0.00 0.00 SOLV ATOM 27813 H2 TIP3 7273 17.629 21.151 19.566 0.00 0.00 SOLV ATOM 27814 OH2 TIP3 7274 -30.718 17.059 9.473 0.00 0.00 SOLV ATOM 27815 H1 TIP3 7274 -30.633 17.378 10.435 0.00 0.00 SOLV ATOM 27816 H2 TIP3 7274 -31.257 17.742 9.087 0.00 0.00 SOLV ATOM 27817 OH2 TIP3 7275 9.438 19.686 26.879 0.00 0.00 SOLV ATOM 27818 H1 TIP3 7275 8.477 19.593 26.594 0.00 0.00 SOLV ATOM 27819 H2 TIP3 7275 9.587 19.021 27.604 0.00 0.00 SOLV ATOM 27820 OH2 TIP3 7276 -9.196 29.176 14.472 0.00 0.00 SOLV ATOM 27821 H1 TIP3 7276 -9.457 30.061 14.150 0.00 0.00 SOLV ATOM 27822 H2 TIP3 7276 -8.709 29.350 15.287 0.00 0.00 SOLV ATOM 27823 OH2 TIP3 7277 14.085 17.325 33.925 0.00 0.00 SOLV ATOM 27824 H1 TIP3 7277 14.544 16.718 33.438 0.00 0.00 SOLV ATOM 27825 H2 TIP3 7277 14.754 17.627 34.493 0.00 0.00 SOLV ATOM 27826 OH2 TIP3 7278 17.614 21.477 29.424 0.00 0.00 SOLV ATOM 27827 H1 TIP3 7278 17.147 21.385 30.245 0.00 0.00 SOLV ATOM 27828 H2 TIP3 7278 17.562 20.583 29.060 0.00 0.00 SOLV ATOM 27829 OH2 TIP3 7279 22.573 19.503 25.504 0.00 0.00 SOLV ATOM 27830 H1 TIP3 7279 21.797 19.516 24.934 0.00 0.00 SOLV ATOM 27831 H2 TIP3 7279 22.762 20.426 25.614 0.00 0.00 SOLV ATOM 27832 OH2 TIP3 7280 18.128 17.615 21.961 0.00 0.00 SOLV ATOM 27833 H1 TIP3 7280 17.172 17.727 21.938 0.00 0.00 SOLV ATOM 27834 H2 TIP3 7280 18.310 16.956 22.669 0.00 0.00 SOLV ATOM 27835 OH2 TIP3 7281 21.530 18.522 30.783 0.00 0.00 SOLV ATOM 27836 H1 TIP3 7281 21.559 19.347 30.222 0.00 0.00 SOLV ATOM 27837 H2 TIP3 7281 21.927 18.802 31.596 0.00 0.00 SOLV ATOM 27838 OH2 TIP3 7282 13.171 24.128 28.136 0.00 0.00 SOLV ATOM 27839 H1 TIP3 7282 13.770 24.364 27.354 0.00 0.00 SOLV ATOM 27840 H2 TIP3 7282 13.460 23.241 28.309 0.00 0.00 SOLV ATOM 27841 OH2 TIP3 7283 -14.103 28.514 8.099 0.00 0.00 SOLV ATOM 27842 H1 TIP3 7283 -14.486 27.699 7.724 0.00 0.00 SOLV ATOM 27843 H2 TIP3 7283 -13.125 28.347 7.973 0.00 0.00 SOLV ATOM 27844 OH2 TIP3 7284 -33.973 18.643 20.830 0.00 0.00 SOLV ATOM 27845 H1 TIP3 7284 -34.815 19.220 20.955 0.00 0.00 SOLV ATOM 27846 H2 TIP3 7284 -34.308 17.823 21.162 0.00 0.00 SOLV ATOM 27847 OH2 TIP3 7285 -23.188 22.191 13.295 0.00 0.00 SOLV ATOM 27848 H1 TIP3 7285 -23.780 22.736 12.800 0.00 0.00 SOLV ATOM 27849 H2 TIP3 7285 -23.449 21.288 13.088 0.00 0.00 SOLV ATOM 27850 OH2 TIP3 7286 -18.867 19.306 27.263 0.00 0.00 SOLV ATOM 27851 H1 TIP3 7286 -18.071 19.016 27.682 0.00 0.00 SOLV ATOM 27852 H2 TIP3 7286 -19.514 19.247 27.981 0.00 0.00 SOLV ATOM 27853 OH2 TIP3 7287 -25.570 19.693 14.827 0.00 0.00 SOLV ATOM 27854 H1 TIP3 7287 -25.542 19.161 15.576 0.00 0.00 SOLV ATOM 27855 H2 TIP3 7287 -25.067 19.160 14.190 0.00 0.00 SOLV ATOM 27856 OH2 TIP3 7288 -27.866 20.955 13.978 0.00 0.00 SOLV ATOM 27857 H1 TIP3 7288 -28.566 20.351 14.358 0.00 0.00 SOLV ATOM 27858 H2 TIP3 7288 -27.041 20.581 14.385 0.00 0.00 SOLV ATOM 27859 OH2 TIP3 7289 -25.602 17.972 25.666 0.00 0.00 SOLV ATOM 27860 H1 TIP3 7289 -24.984 18.371 24.986 0.00 0.00 SOLV ATOM 27861 H2 TIP3 7289 -26.426 18.431 25.529 0.00 0.00 SOLV ATOM 27862 OH2 TIP3 7290 -19.992 19.690 22.593 0.00 0.00 SOLV ATOM 27863 H1 TIP3 7290 -20.610 20.455 22.503 0.00 0.00 SOLV ATOM 27864 H2 TIP3 7290 -19.232 20.011 22.169 0.00 0.00 SOLV ATOM 27865 OH2 TIP3 7291 22.803 19.889 12.196 0.00 0.00 SOLV ATOM 27866 H1 TIP3 7291 22.854 20.441 12.967 0.00 0.00 SOLV ATOM 27867 H2 TIP3 7291 21.855 19.907 11.996 0.00 0.00 SOLV ATOM 27868 OH2 TIP3 7292 -24.904 24.824 18.047 0.00 0.00 SOLV ATOM 27869 H1 TIP3 7292 -24.915 25.809 18.135 0.00 0.00 SOLV ATOM 27870 H2 TIP3 7292 -24.923 24.767 17.041 0.00 0.00 SOLV ATOM 27871 OH2 TIP3 7293 -18.554 16.788 34.155 0.00 0.00 SOLV ATOM 27872 H1 TIP3 7293 -18.357 16.033 34.772 0.00 0.00 SOLV ATOM 27873 H2 TIP3 7293 -17.736 17.118 33.791 0.00 0.00 SOLV ATOM 27874 OH2 TIP3 7294 23.390 19.530 9.389 0.00 0.00 SOLV ATOM 27875 H1 TIP3 7294 23.192 18.566 9.498 0.00 0.00 SOLV ATOM 27876 H2 TIP3 7294 23.196 19.848 10.303 0.00 0.00 SOLV ATOM 27877 OH2 TIP3 7295 -22.521 19.509 8.797 0.00 0.00 SOLV ATOM 27878 H1 TIP3 7295 -23.464 19.628 8.994 0.00 0.00 SOLV ATOM 27879 H2 TIP3 7295 -22.398 18.559 8.616 0.00 0.00 SOLV ATOM 27880 OH2 TIP3 7296 -25.471 22.401 15.939 0.00 0.00 SOLV ATOM 27881 H1 TIP3 7296 -24.602 22.052 16.232 0.00 0.00 SOLV ATOM 27882 H2 TIP3 7296 -25.777 21.753 15.287 0.00 0.00 SOLV ATOM 27883 OH2 TIP3 7297 -20.972 23.500 16.441 0.00 0.00 SOLV ATOM 27884 H1 TIP3 7297 -20.325 24.135 16.502 0.00 0.00 SOLV ATOM 27885 H2 TIP3 7297 -21.615 23.992 15.947 0.00 0.00 SOLV ATOM 27886 OH2 TIP3 7298 -26.597 16.691 18.892 0.00 0.00 SOLV ATOM 27887 H1 TIP3 7298 -27.012 15.856 19.066 0.00 0.00 SOLV ATOM 27888 H2 TIP3 7298 -26.615 17.183 19.800 0.00 0.00 SOLV ATOM 27889 OH2 TIP3 7299 -22.650 23.398 25.034 0.00 0.00 SOLV ATOM 27890 H1 TIP3 7299 -22.585 23.711 24.122 0.00 0.00 SOLV ATOM 27891 H2 TIP3 7299 -23.602 23.579 25.204 0.00 0.00 SOLV ATOM 27892 OH2 TIP3 7300 -16.835 23.239 13.195 0.00 0.00 SOLV ATOM 27893 H1 TIP3 7300 -17.133 23.030 12.293 0.00 0.00 SOLV ATOM 27894 H2 TIP3 7300 -17.638 23.597 13.670 0.00 0.00 SOLV ATOM 27895 OH2 TIP3 7301 -18.588 24.025 20.085 0.00 0.00 SOLV ATOM 27896 H1 TIP3 7301 -19.148 24.399 20.808 0.00 0.00 SOLV ATOM 27897 H2 TIP3 7301 -19.042 23.189 19.913 0.00 0.00 SOLV ATOM 27898 OH2 TIP3 7302 16.378 26.579 19.621 0.00 0.00 SOLV ATOM 27899 H1 TIP3 7302 16.539 25.809 20.191 0.00 0.00 SOLV ATOM 27900 H2 TIP3 7302 16.942 27.279 20.020 0.00 0.00 SOLV ATOM 27901 OH2 TIP3 7303 24.334 17.122 7.438 0.00 0.00 SOLV ATOM 27902 H1 TIP3 7303 23.846 17.952 7.148 0.00 0.00 SOLV ATOM 27903 H2 TIP3 7303 23.719 16.607 8.005 0.00 0.00 SOLV ATOM 27904 OH2 TIP3 7304 -29.544 18.769 27.004 0.00 0.00 SOLV ATOM 27905 H1 TIP3 7304 -30.269 19.351 27.149 0.00 0.00 SOLV ATOM 27906 H2 TIP3 7304 -29.454 18.281 27.821 0.00 0.00 SOLV ATOM 27907 OH2 TIP3 7305 -27.932 19.334 17.569 0.00 0.00 SOLV ATOM 27908 H1 TIP3 7305 -28.197 18.892 16.714 0.00 0.00 SOLV ATOM 27909 H2 TIP3 7305 -26.990 19.268 17.531 0.00 0.00 SOLV ATOM 27910 OH2 TIP3 7306 -19.108 25.909 10.373 0.00 0.00 SOLV ATOM 27911 H1 TIP3 7306 -18.338 25.385 10.427 0.00 0.00 SOLV ATOM 27912 H2 TIP3 7306 -19.721 25.330 9.977 0.00 0.00 SOLV ATOM 27913 OH2 TIP3 7307 -26.597 24.234 22.631 0.00 0.00 SOLV ATOM 27914 H1 TIP3 7307 -27.468 24.626 22.330 0.00 0.00 SOLV ATOM 27915 H2 TIP3 7307 -26.115 24.101 21.793 0.00 0.00 SOLV ATOM 27916 OH2 TIP3 7308 -28.887 17.341 12.362 0.00 0.00 SOLV ATOM 27917 H1 TIP3 7308 -28.181 17.054 12.982 0.00 0.00 SOLV ATOM 27918 H2 TIP3 7308 -29.186 18.316 12.642 0.00 0.00 SOLV ATOM 27919 OH2 TIP3 7309 21.255 16.690 28.908 0.00 0.00 SOLV ATOM 27920 H1 TIP3 7309 21.638 17.492 29.381 0.00 0.00 SOLV ATOM 27921 H2 TIP3 7309 21.133 16.087 29.687 0.00 0.00 SOLV ATOM 27922 OH2 TIP3 7310 -31.803 20.795 23.384 0.00 0.00 SOLV ATOM 27923 H1 TIP3 7310 -31.837 20.010 22.807 0.00 0.00 SOLV ATOM 27924 H2 TIP3 7310 -32.484 20.587 24.024 0.00 0.00 SOLV ATOM 27925 OH2 TIP3 7311 -29.482 18.560 22.254 0.00 0.00 SOLV ATOM 27926 H1 TIP3 7311 -29.644 19.189 21.520 0.00 0.00 SOLV ATOM 27927 H2 TIP3 7311 -28.655 18.147 22.003 0.00 0.00 SOLV ATOM 27928 OH2 TIP3 7312 -21.692 16.503 11.339 0.00 0.00 SOLV ATOM 27929 H1 TIP3 7312 -22.414 16.784 10.752 0.00 0.00 SOLV ATOM 27930 H2 TIP3 7312 -22.152 16.006 12.087 0.00 0.00 SOLV ATOM 27931 OH2 TIP3 7313 24.259 16.615 14.155 0.00 0.00 SOLV ATOM 27932 H1 TIP3 7313 23.542 16.514 14.852 0.00 0.00 SOLV ATOM 27933 H2 TIP3 7313 24.616 17.519 14.313 0.00 0.00 SOLV ATOM 27934 OH2 TIP3 7314 21.881 23.820 15.267 0.00 0.00 SOLV ATOM 27935 H1 TIP3 7314 22.417 24.450 15.701 0.00 0.00 SOLV ATOM 27936 H2 TIP3 7314 22.020 24.050 14.349 0.00 0.00 SOLV ATOM 27937 OH2 TIP3 7315 -26.646 17.772 21.423 0.00 0.00 SOLV ATOM 27938 H1 TIP3 7315 -26.306 17.043 21.984 0.00 0.00 SOLV ATOM 27939 H2 TIP3 7315 -26.427 18.615 21.845 0.00 0.00 SOLV ATOM 27940 OH2 TIP3 7316 -26.899 18.322 29.736 0.00 0.00 SOLV ATOM 27941 H1 TIP3 7316 -26.114 18.817 29.421 0.00 0.00 SOLV ATOM 27942 H2 TIP3 7316 -26.892 17.461 29.233 0.00 0.00 SOLV ATOM 27943 OH2 TIP3 7317 -19.992 21.481 25.877 0.00 0.00 SOLV ATOM 27944 H1 TIP3 7317 -20.616 21.441 26.627 0.00 0.00 SOLV ATOM 27945 H2 TIP3 7317 -19.492 20.629 26.046 0.00 0.00 SOLV ATOM 27946 OH2 TIP3 7318 -10.333 21.421 15.309 0.00 0.00 SOLV ATOM 27947 H1 TIP3 7318 -10.993 22.072 14.977 0.00 0.00 SOLV ATOM 27948 H2 TIP3 7318 -9.596 21.550 14.665 0.00 0.00 SOLV ATOM 27949 OH2 TIP3 7319 -18.398 20.213 9.117 0.00 0.00 SOLV ATOM 27950 H1 TIP3 7319 -18.851 20.581 8.354 0.00 0.00 SOLV ATOM 27951 H2 TIP3 7319 -19.136 19.956 9.740 0.00 0.00 SOLV ATOM 27952 OH2 TIP3 7320 -33.686 16.648 16.572 0.00 0.00 SOLV ATOM 27953 H1 TIP3 7320 -33.553 16.615 15.576 0.00 0.00 SOLV ATOM 27954 H2 TIP3 7320 -32.781 16.755 16.845 0.00 0.00 SOLV ATOM 27955 OH2 TIP3 7321 -24.786 24.267 12.185 0.00 0.00 SOLV ATOM 27956 H1 TIP3 7321 -25.746 24.412 12.580 0.00 0.00 SOLV ATOM 27957 H2 TIP3 7321 -25.095 23.811 11.415 0.00 0.00 SOLV ATOM 27958 OH2 TIP3 7322 -16.036 30.295 10.288 0.00 0.00 SOLV ATOM 27959 H1 TIP3 7322 -16.789 29.619 10.293 0.00 0.00 SOLV ATOM 27960 H2 TIP3 7322 -15.843 30.476 9.330 0.00 0.00 SOLV ATOM 27961 OH2 TIP3 7323 -30.037 18.156 19.210 0.00 0.00 SOLV ATOM 27962 H1 TIP3 7323 -30.681 18.660 18.753 0.00 0.00 SOLV ATOM 27963 H2 TIP3 7323 -29.291 18.587 18.629 0.00 0.00 SOLV ATOM 27964 OH2 TIP3 7324 -26.224 21.358 19.863 0.00 0.00 SOLV ATOM 27965 H1 TIP3 7324 -26.364 22.372 19.671 0.00 0.00 SOLV ATOM 27966 H2 TIP3 7324 -27.135 21.131 20.024 0.00 0.00 SOLV ATOM 27967 OH2 TIP3 7325 -29.565 17.255 29.478 0.00 0.00 SOLV ATOM 27968 H1 TIP3 7325 -29.142 16.523 29.076 0.00 0.00 SOLV ATOM 27969 H2 TIP3 7325 -28.781 17.700 29.927 0.00 0.00 SOLV ATOM 27970 OH2 TIP3 7326 -21.992 18.616 27.281 0.00 0.00 SOLV ATOM 27971 H1 TIP3 7326 -22.064 19.505 26.844 0.00 0.00 SOLV ATOM 27972 H2 TIP3 7326 -21.468 18.130 26.580 0.00 0.00 SOLV ATOM 27973 OH2 TIP3 7327 -16.952 21.808 24.153 0.00 0.00 SOLV ATOM 27974 H1 TIP3 7327 -16.829 22.281 25.029 0.00 0.00 SOLV ATOM 27975 H2 TIP3 7327 -17.875 21.790 24.018 0.00 0.00 SOLV ATOM 27976 OH2 TIP3 7328 -11.434 17.165 24.002 0.00 0.00 SOLV ATOM 27977 H1 TIP3 7328 -11.538 16.189 24.050 0.00 0.00 SOLV ATOM 27978 H2 TIP3 7328 -10.889 17.383 24.744 0.00 0.00 SOLV ATOM 27979 OH2 TIP3 7329 -29.800 20.571 10.891 0.00 0.00 SOLV ATOM 27980 H1 TIP3 7329 -28.947 20.780 11.348 0.00 0.00 SOLV ATOM 27981 H2 TIP3 7329 -30.428 20.845 11.558 0.00 0.00 SOLV ATOM 27982 OH2 TIP3 7330 -27.133 21.044 11.373 0.00 0.00 SOLV ATOM 27983 H1 TIP3 7330 -26.933 21.060 12.323 0.00 0.00 SOLV ATOM 27984 H2 TIP3 7330 -26.878 21.913 11.067 0.00 0.00 SOLV ATOM 27985 OH2 TIP3 7331 -23.578 19.820 11.622 0.00 0.00 SOLV ATOM 27986 H1 TIP3 7331 -22.805 19.853 11.017 0.00 0.00 SOLV ATOM 27987 H2 TIP3 7331 -23.603 18.844 11.827 0.00 0.00 SOLV ATOM 27988 OH2 TIP3 7332 -23.573 24.879 22.482 0.00 0.00 SOLV ATOM 27989 H1 TIP3 7332 -24.541 24.942 22.462 0.00 0.00 SOLV ATOM 27990 H2 TIP3 7332 -23.363 24.189 21.808 0.00 0.00 SOLV ATOM 27991 OH2 TIP3 7333 -16.965 27.857 18.362 0.00 0.00 SOLV ATOM 27992 H1 TIP3 7333 -16.593 28.767 18.259 0.00 0.00 SOLV ATOM 27993 H2 TIP3 7333 -17.517 27.761 17.572 0.00 0.00 SOLV ATOM 27994 OH2 TIP3 7334 -28.078 19.330 24.832 0.00 0.00 SOLV ATOM 27995 H1 TIP3 7334 -28.579 18.851 25.509 0.00 0.00 SOLV ATOM 27996 H2 TIP3 7334 -28.760 19.415 24.121 0.00 0.00 SOLV ATOM 27997 OH2 TIP3 7335 -21.540 22.010 21.865 0.00 0.00 SOLV ATOM 27998 H1 TIP3 7335 -20.804 22.670 22.065 0.00 0.00 SOLV ATOM 27999 H2 TIP3 7335 -21.906 22.295 21.001 0.00 0.00 SOLV ATOM 28000 OH2 TIP3 7336 -13.692 27.060 19.962 0.00 0.00 SOLV ATOM 28001 H1 TIP3 7336 -13.671 26.704 19.019 0.00 0.00 SOLV ATOM 28002 H2 TIP3 7336 -13.664 28.017 19.794 0.00 0.00 SOLV ATOM 28003 OH2 TIP3 7337 -12.692 24.170 18.621 0.00 0.00 SOLV ATOM 28004 H1 TIP3 7337 -12.436 23.245 18.336 0.00 0.00 SOLV ATOM 28005 H2 TIP3 7337 -12.875 24.071 19.559 0.00 0.00 SOLV ATOM 28006 OH2 TIP3 7338 -28.727 21.844 17.823 0.00 0.00 SOLV ATOM 28007 H1 TIP3 7338 -28.616 20.892 17.629 0.00 0.00 SOLV ATOM 28008 H2 TIP3 7338 -27.847 22.134 17.920 0.00 0.00 SOLV ATOM 28009 OH2 TIP3 7339 -13.883 29.823 14.545 0.00 0.00 SOLV ATOM 28010 H1 TIP3 7339 -13.986 29.761 15.499 0.00 0.00 SOLV ATOM 28011 H2 TIP3 7339 -13.106 29.293 14.357 0.00 0.00 SOLV ATOM 28012 OH2 TIP3 7340 -23.653 23.314 20.129 0.00 0.00 SOLV ATOM 28013 H1 TIP3 7340 -23.965 23.700 19.351 0.00 0.00 SOLV ATOM 28014 H2 TIP3 7340 -23.312 22.467 19.806 0.00 0.00 SOLV ATOM 28015 OH2 TIP3 7341 -15.900 22.163 29.298 0.00 0.00 SOLV ATOM 28016 H1 TIP3 7341 -15.556 21.508 28.604 0.00 0.00 SOLV ATOM 28017 H2 TIP3 7341 -15.279 21.996 30.016 0.00 0.00 SOLV ATOM 28018 OH2 TIP3 7342 -8.489 6.248 33.316 0.00 0.00 SOLV ATOM 28019 H1 TIP3 7342 -8.421 6.437 32.336 0.00 0.00 SOLV ATOM 28020 H2 TIP3 7342 -8.187 7.086 33.764 0.00 0.00 SOLV ATOM 28021 OH2 TIP3 7343 -30.950 22.024 13.177 0.00 0.00 SOLV ATOM 28022 H1 TIP3 7343 -30.845 22.974 12.976 0.00 0.00 SOLV ATOM 28023 H2 TIP3 7343 -30.203 21.809 13.728 0.00 0.00 SOLV ATOM 28024 OH2 TIP3 7344 -33.119 19.938 13.120 0.00 0.00 SOLV ATOM 28025 H1 TIP3 7344 -32.450 20.644 13.232 0.00 0.00 SOLV ATOM 28026 H2 TIP3 7344 -33.930 20.253 13.588 0.00 0.00 SOLV ATOM 28027 OH2 TIP3 7345 -15.411 21.690 19.956 0.00 0.00 SOLV ATOM 28028 H1 TIP3 7345 -15.185 20.898 19.538 0.00 0.00 SOLV ATOM 28029 H2 TIP3 7345 -14.776 21.853 20.677 0.00 0.00 SOLV ATOM 28030 OH2 TIP3 7346 -18.100 16.038 20.154 0.00 0.00 SOLV ATOM 28031 H1 TIP3 7346 -18.277 16.452 21.027 0.00 0.00 SOLV ATOM 28032 H2 TIP3 7346 -18.514 15.137 20.146 0.00 0.00 SOLV ATOM 28033 OH2 TIP3 7347 -14.838 25.947 17.476 0.00 0.00 SOLV ATOM 28034 H1 TIP3 7347 -15.021 25.052 17.753 0.00 0.00 SOLV ATOM 28035 H2 TIP3 7347 -15.706 26.442 17.701 0.00 0.00 SOLV ATOM 28036 OH2 TIP3 7348 -34.714 16.508 22.525 0.00 0.00 SOLV ATOM 28037 H1 TIP3 7348 -34.137 16.661 23.267 0.00 0.00 SOLV ATOM 28038 H2 TIP3 7348 -34.658 15.546 22.439 0.00 0.00 SOLV ATOM 28039 OH2 TIP3 7349 -32.441 19.934 18.955 0.00 0.00 SOLV ATOM 28040 H1 TIP3 7349 -32.565 20.718 19.574 0.00 0.00 SOLV ATOM 28041 H2 TIP3 7349 -33.045 19.318 19.372 0.00 0.00 SOLV ATOM 28042 OH2 TIP3 7350 -7.766 17.776 29.173 0.00 0.00 SOLV ATOM 28043 H1 TIP3 7350 -7.039 17.421 28.711 0.00 0.00 SOLV ATOM 28044 H2 TIP3 7350 -8.151 18.372 28.500 0.00 0.00 SOLV ATOM 28045 OH2 TIP3 7351 -16.480 13.821 -19.350 0.00 0.00 SOLV ATOM 28046 H1 TIP3 7351 -15.980 13.201 -19.854 0.00 0.00 SOLV ATOM 28047 H2 TIP3 7351 -16.833 13.336 -18.638 0.00 0.00 SOLV ATOM 28048 OH2 TIP3 7352 -11.227 26.045 17.184 0.00 0.00 SOLV ATOM 28049 H1 TIP3 7352 -11.738 25.673 17.893 0.00 0.00 SOLV ATOM 28050 H2 TIP3 7352 -11.740 26.861 16.997 0.00 0.00 SOLV ATOM 28051 OH2 TIP3 7353 -15.835 19.881 16.049 0.00 0.00 SOLV ATOM 28052 H1 TIP3 7353 -15.035 19.463 16.383 0.00 0.00 SOLV ATOM 28053 H2 TIP3 7353 -16.212 19.239 15.428 0.00 0.00 SOLV ATOM 28054 OH2 TIP3 7354 -4.890 16.390 20.950 0.00 0.00 SOLV ATOM 28055 H1 TIP3 7354 -5.661 15.818 21.085 0.00 0.00 SOLV ATOM 28056 H2 TIP3 7354 -4.167 15.844 20.620 0.00 0.00 SOLV ATOM 28057 OH2 TIP3 7355 -13.796 26.097 14.996 0.00 0.00 SOLV ATOM 28058 H1 TIP3 7355 -13.357 26.816 15.440 0.00 0.00 SOLV ATOM 28059 H2 TIP3 7355 -14.234 25.672 15.746 0.00 0.00 SOLV ATOM 28060 OH2 TIP3 7356 -8.049 22.073 26.829 0.00 0.00 SOLV ATOM 28061 H1 TIP3 7356 -8.796 22.357 27.407 0.00 0.00 SOLV ATOM 28062 H2 TIP3 7356 -8.268 22.267 25.868 0.00 0.00 SOLV ATOM 28063 OH2 TIP3 7357 -13.316 26.122 23.507 0.00 0.00 SOLV ATOM 28064 H1 TIP3 7357 -13.718 25.209 23.632 0.00 0.00 SOLV ATOM 28065 H2 TIP3 7357 -13.753 26.663 24.191 0.00 0.00 SOLV ATOM 28066 OH2 TIP3 7358 -22.811 21.002 26.268 0.00 0.00 SOLV ATOM 28067 H1 TIP3 7358 -23.408 21.191 27.010 0.00 0.00 SOLV ATOM 28068 H2 TIP3 7358 -22.538 21.849 25.937 0.00 0.00 SOLV ATOM 28069 OH2 TIP3 7359 -7.064 18.250 25.297 0.00 0.00 SOLV ATOM 28070 H1 TIP3 7359 -7.012 18.848 24.518 0.00 0.00 SOLV ATOM 28071 H2 TIP3 7359 -7.820 17.617 25.151 0.00 0.00 SOLV ATOM 28072 OH2 TIP3 7360 -15.226 20.303 27.416 0.00 0.00 SOLV ATOM 28073 H1 TIP3 7360 -15.405 19.415 27.799 0.00 0.00 SOLV ATOM 28074 H2 TIP3 7360 -15.127 20.057 26.421 0.00 0.00 SOLV ATOM 28075 OH2 TIP3 7361 -19.491 21.350 13.740 0.00 0.00 SOLV ATOM 28076 H1 TIP3 7361 -19.330 22.252 13.698 0.00 0.00 SOLV ATOM 28077 H2 TIP3 7361 -18.802 21.006 14.384 0.00 0.00 SOLV ATOM 28078 OH2 TIP3 7362 -17.787 21.661 16.247 0.00 0.00 SOLV ATOM 28079 H1 TIP3 7362 -16.950 21.094 16.534 0.00 0.00 SOLV ATOM 28080 H2 TIP3 7362 -17.540 22.505 16.594 0.00 0.00 SOLV ATOM 28081 OH2 TIP3 7363 -25.684 20.396 22.453 0.00 0.00 SOLV ATOM 28082 H1 TIP3 7363 -25.647 20.684 21.484 0.00 0.00 SOLV ATOM 28083 H2 TIP3 7363 -26.415 20.953 22.879 0.00 0.00 SOLV ATOM 28084 OH2 TIP3 7364 -15.404 23.153 17.751 0.00 0.00 SOLV ATOM 28085 H1 TIP3 7364 -14.644 22.560 17.514 0.00 0.00 SOLV ATOM 28086 H2 TIP3 7364 -15.506 22.970 18.711 0.00 0.00 SOLV ATOM 28087 OH2 TIP3 7365 -7.916 25.182 21.730 0.00 0.00 SOLV ATOM 28088 H1 TIP3 7365 -8.267 25.963 22.170 0.00 0.00 SOLV ATOM 28089 H2 TIP3 7365 -8.728 24.677 21.543 0.00 0.00 SOLV ATOM 28090 OH2 TIP3 7366 -8.346 20.111 32.015 0.00 0.00 SOLV ATOM 28091 H1 TIP3 7366 -8.120 20.303 32.932 0.00 0.00 SOLV ATOM 28092 H2 TIP3 7366 -8.256 19.177 31.920 0.00 0.00 SOLV ATOM 28093 OH2 TIP3 7367 -19.495 24.617 13.565 0.00 0.00 SOLV ATOM 28094 H1 TIP3 7367 -19.191 25.490 13.739 0.00 0.00 SOLV ATOM 28095 H2 TIP3 7367 -19.672 24.669 12.616 0.00 0.00 SOLV ATOM 28096 OH2 TIP3 7368 -27.130 23.893 19.607 0.00 0.00 SOLV ATOM 28097 H1 TIP3 7368 -27.791 24.492 20.052 0.00 0.00 SOLV ATOM 28098 H2 TIP3 7368 -26.543 24.448 19.079 0.00 0.00 SOLV ATOM 28099 OH2 TIP3 7369 -11.799 28.053 15.174 0.00 0.00 SOLV ATOM 28100 H1 TIP3 7369 -11.126 28.733 15.296 0.00 0.00 SOLV ATOM 28101 H2 TIP3 7369 -11.613 27.767 14.230 0.00 0.00 SOLV ATOM 28102 OH2 TIP3 7370 -16.100 27.323 21.282 0.00 0.00 SOLV ATOM 28103 H1 TIP3 7370 -16.605 27.431 20.455 0.00 0.00 SOLV ATOM 28104 H2 TIP3 7370 -15.162 27.206 21.041 0.00 0.00 SOLV ATOM 28105 OH2 TIP3 7371 -15.226 31.129 7.613 0.00 0.00 SOLV ATOM 28106 H1 TIP3 7371 -15.644 31.196 6.760 0.00 0.00 SOLV ATOM 28107 H2 TIP3 7371 -14.623 30.328 7.445 0.00 0.00 SOLV ATOM 28108 OH2 TIP3 7372 -11.323 25.173 11.867 0.00 0.00 SOLV ATOM 28109 H1 TIP3 7372 -11.981 25.845 12.078 0.00 0.00 SOLV ATOM 28110 H2 TIP3 7372 -11.112 24.812 12.720 0.00 0.00 SOLV ATOM 28111 OH2 TIP3 7373 -18.958 27.189 13.895 0.00 0.00 SOLV ATOM 28112 H1 TIP3 7373 -18.238 27.586 14.483 0.00 0.00 SOLV ATOM 28113 H2 TIP3 7373 -19.621 27.920 13.766 0.00 0.00 SOLV ATOM 28114 OH2 TIP3 7374 -20.605 25.990 19.053 0.00 0.00 SOLV ATOM 28115 H1 TIP3 7374 -19.982 25.309 19.275 0.00 0.00 SOLV ATOM 28116 H2 TIP3 7374 -20.275 26.733 19.522 0.00 0.00 SOLV ATOM 28117 OH2 TIP3 7375 -31.984 20.505 16.233 0.00 0.00 SOLV ATOM 28118 H1 TIP3 7375 -31.623 21.420 16.233 0.00 0.00 SOLV ATOM 28119 H2 TIP3 7375 -32.274 20.161 17.080 0.00 0.00 SOLV ATOM 28120 OH2 TIP3 7376 -21.545 17.676 24.237 0.00 0.00 SOLV ATOM 28121 H1 TIP3 7376 -21.024 18.167 23.674 0.00 0.00 SOLV ATOM 28122 H2 TIP3 7376 -22.430 18.060 24.139 0.00 0.00 SOLV ATOM 28123 OH2 TIP3 7377 -24.797 18.622 28.153 0.00 0.00 SOLV ATOM 28124 H1 TIP3 7377 -25.277 18.320 27.363 0.00 0.00 SOLV ATOM 28125 H2 TIP3 7377 -23.853 18.463 27.913 0.00 0.00 SOLV ATOM 28126 OH2 TIP3 7378 -8.617 24.442 24.810 0.00 0.00 SOLV ATOM 28127 H1 TIP3 7378 -9.067 23.930 24.043 0.00 0.00 SOLV ATOM 28128 H2 TIP3 7378 -9.334 24.781 25.338 0.00 0.00 SOLV ATOM 28129 OH2 TIP3 7379 -22.047 19.370 20.564 0.00 0.00 SOLV ATOM 28130 H1 TIP3 7379 -22.091 19.806 21.439 0.00 0.00 SOLV ATOM 28131 H2 TIP3 7379 -21.364 18.760 20.761 0.00 0.00 SOLV ATOM 28132 OH2 TIP3 7380 -10.106 19.380 22.764 0.00 0.00 SOLV ATOM 28133 H1 TIP3 7380 -10.293 18.722 23.417 0.00 0.00 SOLV ATOM 28134 H2 TIP3 7380 -10.352 18.946 21.908 0.00 0.00 SOLV ATOM 28135 OH2 TIP3 7381 -22.669 17.084 7.709 0.00 0.00 SOLV ATOM 28136 H1 TIP3 7381 -22.558 16.260 8.200 0.00 0.00 SOLV ATOM 28137 H2 TIP3 7381 -23.352 16.890 7.058 0.00 0.00 SOLV ATOM 28138 OH2 TIP3 7382 -22.349 21.069 15.840 0.00 0.00 SOLV ATOM 28139 H1 TIP3 7382 -21.674 21.741 15.988 0.00 0.00 SOLV ATOM 28140 H2 TIP3 7382 -22.637 21.163 14.913 0.00 0.00 SOLV ATOM 28141 OH2 TIP3 7383 -15.023 22.649 8.090 0.00 0.00 SOLV ATOM 28142 H1 TIP3 7383 -15.352 21.734 8.251 0.00 0.00 SOLV ATOM 28143 H2 TIP3 7383 -15.011 23.021 8.988 0.00 0.00 SOLV ATOM 28144 OH2 TIP3 7384 -21.607 22.178 9.105 0.00 0.00 SOLV ATOM 28145 H1 TIP3 7384 -21.998 21.308 9.137 0.00 0.00 SOLV ATOM 28146 H2 TIP3 7384 -21.684 22.502 10.005 0.00 0.00 SOLV ATOM 28147 OH2 TIP3 7385 -22.363 25.409 12.036 0.00 0.00 SOLV ATOM 28148 H1 TIP3 7385 -23.214 25.041 11.933 0.00 0.00 SOLV ATOM 28149 H2 TIP3 7385 -22.406 26.352 12.045 0.00 0.00 SOLV ATOM 28150 OH2 TIP3 7386 -12.884 18.862 28.662 0.00 0.00 SOLV ATOM 28151 H1 TIP3 7386 -11.891 18.859 28.382 0.00 0.00 SOLV ATOM 28152 H2 TIP3 7386 -13.349 19.050 27.890 0.00 0.00 SOLV ATOM 28153 OH2 TIP3 7387 -20.960 18.737 16.971 0.00 0.00 SOLV ATOM 28154 H1 TIP3 7387 -21.239 19.619 16.657 0.00 0.00 SOLV ATOM 28155 H2 TIP3 7387 -20.018 18.870 17.274 0.00 0.00 SOLV ATOM 28156 OH2 TIP3 7388 -13.115 23.781 21.331 0.00 0.00 SOLV ATOM 28157 H1 TIP3 7388 -13.145 24.767 21.434 0.00 0.00 SOLV ATOM 28158 H2 TIP3 7388 -13.266 23.459 22.245 0.00 0.00 SOLV ATOM 28159 OH2 TIP3 7389 -19.394 26.719 16.783 0.00 0.00 SOLV ATOM 28160 H1 TIP3 7389 -18.761 26.039 16.948 0.00 0.00 SOLV ATOM 28161 H2 TIP3 7389 -20.038 26.642 17.518 0.00 0.00 SOLV ATOM 28162 OH2 TIP3 7390 -11.869 18.685 32.441 0.00 0.00 SOLV ATOM 28163 H1 TIP3 7390 -12.497 18.870 33.169 0.00 0.00 SOLV ATOM 28164 H2 TIP3 7390 -12.474 18.337 31.753 0.00 0.00 SOLV ATOM 28165 OH2 TIP3 7391 -16.645 24.956 9.545 0.00 0.00 SOLV ATOM 28166 H1 TIP3 7391 -16.184 25.383 8.843 0.00 0.00 SOLV ATOM 28167 H2 TIP3 7391 -16.914 24.056 9.247 0.00 0.00 SOLV ATOM 28168 OH2 TIP3 7392 -18.355 28.639 10.547 0.00 0.00 SOLV ATOM 28169 H1 TIP3 7392 -19.037 29.234 10.919 0.00 0.00 SOLV ATOM 28170 H2 TIP3 7392 -18.740 27.694 10.734 0.00 0.00 SOLV ATOM 28171 OH2 TIP3 7393 -16.540 16.608 24.440 0.00 0.00 SOLV ATOM 28172 H1 TIP3 7393 -16.076 17.461 24.451 0.00 0.00 SOLV ATOM 28173 H2 TIP3 7393 -16.129 16.244 25.252 0.00 0.00 SOLV ATOM 28174 OH2 TIP3 7394 -16.830 18.099 28.616 0.00 0.00 SOLV ATOM 28175 H1 TIP3 7394 -16.743 18.411 29.517 0.00 0.00 SOLV ATOM 28176 H2 TIP3 7394 -16.732 17.176 28.683 0.00 0.00 SOLV ATOM 28177 OH2 TIP3 7395 -6.916 31.567 7.509 0.00 0.00 SOLV ATOM 28178 H1 TIP3 7395 -6.659 32.109 6.750 0.00 0.00 SOLV ATOM 28179 H2 TIP3 7395 -7.673 32.053 7.807 0.00 0.00 SOLV ATOM 28180 OH2 TIP3 7396 -18.738 19.924 18.335 0.00 0.00 SOLV ATOM 28181 H1 TIP3 7396 -19.428 20.540 18.745 0.00 0.00 SOLV ATOM 28182 H2 TIP3 7396 -18.441 20.535 17.634 0.00 0.00 SOLV ATOM 28183 OH2 TIP3 7397 -13.404 17.088 30.807 0.00 0.00 SOLV ATOM 28184 H1 TIP3 7397 -13.581 17.543 29.953 0.00 0.00 SOLV ATOM 28185 H2 TIP3 7397 -12.896 16.343 30.455 0.00 0.00 SOLV ATOM 28186 OH2 TIP3 7398 -28.924 21.065 20.986 0.00 0.00 SOLV ATOM 28187 H1 TIP3 7398 -29.000 21.941 20.567 0.00 0.00 SOLV ATOM 28188 H2 TIP3 7398 -29.173 21.254 21.863 0.00 0.00 SOLV ATOM 28189 OH2 TIP3 7399 -31.869 17.495 23.260 0.00 0.00 SOLV ATOM 28190 H1 TIP3 7399 -31.052 17.883 22.831 0.00 0.00 SOLV ATOM 28191 H2 TIP3 7399 -31.887 16.580 22.884 0.00 0.00 SOLV ATOM 28192 OH2 TIP3 7400 -9.825 23.125 20.009 0.00 0.00 SOLV ATOM 28193 H1 TIP3 7400 -9.767 23.547 19.095 0.00 0.00 SOLV ATOM 28194 H2 TIP3 7400 -10.499 22.393 19.809 0.00 0.00 SOLV ATOM 28195 OH2 TIP3 7401 -16.353 28.580 13.894 0.00 0.00 SOLV ATOM 28196 H1 TIP3 7401 -16.247 28.180 13.059 0.00 0.00 SOLV ATOM 28197 H2 TIP3 7401 -15.483 28.913 14.083 0.00 0.00 SOLV ATOM 28198 OH2 TIP3 7402 -25.258 18.245 17.194 0.00 0.00 SOLV ATOM 28199 H1 TIP3 7402 -24.301 17.974 17.149 0.00 0.00 SOLV ATOM 28200 H2 TIP3 7402 -25.751 17.594 17.791 0.00 0.00 SOLV ATOM 28201 OH2 TIP3 7403 -29.684 18.692 15.376 0.00 0.00 SOLV ATOM 28202 H1 TIP3 7403 -29.609 17.778 15.571 0.00 0.00 SOLV ATOM 28203 H2 TIP3 7403 -30.577 18.899 15.601 0.00 0.00 SOLV ATOM 28204 OH2 TIP3 7404 -10.063 16.959 30.677 0.00 0.00 SOLV ATOM 28205 H1 TIP3 7404 -9.439 17.500 30.260 0.00 0.00 SOLV ATOM 28206 H2 TIP3 7404 -10.254 17.408 31.527 0.00 0.00 SOLV ATOM 28207 OH2 TIP3 7405 -13.919 19.479 19.018 0.00 0.00 SOLV ATOM 28208 H1 TIP3 7405 -13.795 18.618 19.426 0.00 0.00 SOLV ATOM 28209 H2 TIP3 7405 -13.717 19.318 18.078 0.00 0.00 SOLV ATOM 28210 OH2 TIP3 7406 -5.970 26.467 8.393 0.00 0.00 SOLV ATOM 28211 H1 TIP3 7406 -5.788 26.538 9.339 0.00 0.00 SOLV ATOM 28212 H2 TIP3 7406 -6.901 26.210 8.366 0.00 0.00 SOLV ATOM 28213 OH2 TIP3 7407 3.591 18.540 14.948 0.00 0.00 SOLV ATOM 28214 H1 TIP3 7407 3.046 18.713 15.690 0.00 0.00 SOLV ATOM 28215 H2 TIP3 7407 4.176 17.885 15.223 0.00 0.00 SOLV ATOM 28216 OH2 TIP3 7408 -22.662 27.390 17.538 0.00 0.00 SOLV ATOM 28217 H1 TIP3 7408 -21.912 26.983 17.951 0.00 0.00 SOLV ATOM 28218 H2 TIP3 7408 -22.689 27.010 16.636 0.00 0.00 SOLV ATOM 28219 OH2 TIP3 7409 -26.079 -5.145 10.974 0.00 0.00 SOLV ATOM 28220 H1 TIP3 7409 -25.290 -4.646 11.069 0.00 0.00 SOLV ATOM 28221 H2 TIP3 7409 -25.890 -5.540 10.086 0.00 0.00 SOLV ATOM 28222 OH2 TIP3 7410 -19.336 28.219 20.206 0.00 0.00 SOLV ATOM 28223 H1 TIP3 7410 -19.556 28.944 19.639 0.00 0.00 SOLV ATOM 28224 H2 TIP3 7410 -18.464 27.951 19.892 0.00 0.00 SOLV ATOM 28225 OH2 TIP3 7411 -30.593 23.069 16.308 0.00 0.00 SOLV ATOM 28226 H1 TIP3 7411 -31.190 23.635 16.806 0.00 0.00 SOLV ATOM 28227 H2 TIP3 7411 -29.923 22.837 16.967 0.00 0.00 SOLV ATOM 28228 OH2 TIP3 7412 -21.662 26.264 14.944 0.00 0.00 SOLV ATOM 28229 H1 TIP3 7412 -21.464 25.630 14.208 0.00 0.00 SOLV ATOM 28230 H2 TIP3 7412 -20.774 26.552 15.248 0.00 0.00 SOLV ATOM 28231 OH2 TIP3 7413 -12.385 21.148 23.842 0.00 0.00 SOLV ATOM 28232 H1 TIP3 7413 -12.775 20.400 23.267 0.00 0.00 SOLV ATOM 28233 H2 TIP3 7413 -11.544 21.255 23.371 0.00 0.00 SOLV ATOM 28234 OH2 TIP3 7414 -12.988 21.986 17.009 0.00 0.00 SOLV ATOM 28235 H1 TIP3 7414 -12.606 21.108 17.108 0.00 0.00 SOLV ATOM 28236 H2 TIP3 7414 -12.670 22.267 16.133 0.00 0.00 SOLV ATOM 28237 OH2 TIP3 7415 -15.669 26.300 11.799 0.00 0.00 SOLV ATOM 28238 H1 TIP3 7415 -15.997 25.831 10.972 0.00 0.00 SOLV ATOM 28239 H2 TIP3 7415 -15.674 25.559 12.463 0.00 0.00 SOLV ATOM 28240 OH2 TIP3 7416 -8.987 29.239 9.142 0.00 0.00 SOLV ATOM 28241 H1 TIP3 7416 -8.540 29.940 9.675 0.00 0.00 SOLV ATOM 28242 H2 TIP3 7416 -9.299 28.597 9.774 0.00 0.00 SOLV ATOM 28243 OH2 TIP3 7417 -14.573 23.161 26.724 0.00 0.00 SOLV ATOM 28244 H1 TIP3 7417 -15.117 22.585 27.285 0.00 0.00 SOLV ATOM 28245 H2 TIP3 7417 -14.735 24.017 27.139 0.00 0.00 SOLV ATOM 28246 OH2 TIP3 7418 -1.511 22.471 2.753 0.00 0.00 SOLV ATOM 28247 H1 TIP3 7418 -2.034 22.696 3.437 0.00 0.00 SOLV ATOM 28248 H2 TIP3 7418 -2.019 22.750 1.997 0.00 0.00 SOLV ATOM 28249 OH2 TIP3 7419 -23.063 21.077 18.622 0.00 0.00 SOLV ATOM 28250 H1 TIP3 7419 -23.082 20.342 19.298 0.00 0.00 SOLV ATOM 28251 H2 TIP3 7419 -23.296 20.593 17.835 0.00 0.00 SOLV ATOM 28252 OH2 TIP3 7420 -9.157 16.871 38.535 0.00 0.00 SOLV ATOM 28253 H1 TIP3 7420 -8.970 16.586 39.417 0.00 0.00 SOLV ATOM 28254 H2 TIP3 7420 -8.261 17.125 38.187 0.00 0.00 SOLV ATOM 28255 OH2 TIP3 7421 -9.471 22.633 22.664 0.00 0.00 SOLV ATOM 28256 H1 TIP3 7421 -9.014 21.770 22.782 0.00 0.00 SOLV ATOM 28257 H2 TIP3 7421 -9.832 22.532 21.763 0.00 0.00 SOLV ATOM 28258 OH2 TIP3 7422 -20.579 24.931 21.990 0.00 0.00 SOLV ATOM 28259 H1 TIP3 7422 -20.278 24.670 22.861 0.00 0.00 SOLV ATOM 28260 H2 TIP3 7422 -21.085 25.705 22.180 0.00 0.00 SOLV ATOM 28261 OH2 TIP3 7423 -26.964 24.149 14.064 0.00 0.00 SOLV ATOM 28262 H1 TIP3 7423 -26.642 23.558 14.766 0.00 0.00 SOLV ATOM 28263 H2 TIP3 7423 -27.114 25.009 14.543 0.00 0.00 SOLV ATOM 28264 OH2 TIP3 7424 -18.433 17.179 22.509 0.00 0.00 SOLV ATOM 28265 H1 TIP3 7424 -17.677 17.315 23.087 0.00 0.00 SOLV ATOM 28266 H2 TIP3 7424 -18.825 18.122 22.504 0.00 0.00 SOLV ATOM 28267 OH2 TIP3 7425 -10.153 25.514 14.369 0.00 0.00 SOLV ATOM 28268 H1 TIP3 7425 -10.464 25.919 15.205 0.00 0.00 SOLV ATOM 28269 H2 TIP3 7425 -9.240 25.331 14.689 0.00 0.00 SOLV ATOM 28270 OH2 TIP3 7426 -20.480 22.122 18.844 0.00 0.00 SOLV ATOM 28271 H1 TIP3 7426 -21.250 21.579 19.140 0.00 0.00 SOLV ATOM 28272 H2 TIP3 7426 -20.822 22.628 18.017 0.00 0.00 SOLV ATOM 28273 OH2 TIP3 7427 -13.078 18.768 16.626 0.00 0.00 SOLV ATOM 28274 H1 TIP3 7427 -12.224 18.324 16.863 0.00 0.00 SOLV ATOM 28275 H2 TIP3 7427 -13.279 18.358 15.768 0.00 0.00 SOLV ATOM 28276 OH2 TIP3 7428 -12.362 21.517 26.552 0.00 0.00 SOLV ATOM 28277 H1 TIP3 7428 -12.397 21.258 25.630 0.00 0.00 SOLV ATOM 28278 H2 TIP3 7428 -13.146 22.067 26.636 0.00 0.00 SOLV ATOM 28279 OH2 TIP3 7429 -9.343 23.833 17.088 0.00 0.00 SOLV ATOM 28280 H1 TIP3 7429 -9.898 23.319 16.464 0.00 0.00 SOLV ATOM 28281 H2 TIP3 7429 -9.724 24.730 17.201 0.00 0.00 SOLV ATOM 28282 OH2 TIP3 7430 7.961 15.031 15.637 0.00 0.00 SOLV ATOM 28283 H1 TIP3 7430 8.104 14.101 15.948 0.00 0.00 SOLV ATOM 28284 H2 TIP3 7430 8.922 15.293 15.654 0.00 0.00 SOLV ATOM 28285 OH2 TIP3 7431 -23.790 19.466 24.191 0.00 0.00 SOLV ATOM 28286 H1 TIP3 7431 -24.225 20.043 23.511 0.00 0.00 SOLV ATOM 28287 H2 TIP3 7431 -23.319 20.149 24.674 0.00 0.00 SOLV ATOM 28288 OH2 TIP3 7432 -12.186 23.325 14.794 0.00 0.00 SOLV ATOM 28289 H1 TIP3 7432 -12.415 24.256 14.978 0.00 0.00 SOLV ATOM 28290 H2 TIP3 7432 -13.072 22.995 14.607 0.00 0.00 SOLV ATOM 28291 OH2 TIP3 7433 -23.980 24.026 7.898 0.00 0.00 SOLV ATOM 28292 H1 TIP3 7433 -24.010 24.865 7.343 0.00 0.00 SOLV ATOM 28293 H2 TIP3 7433 -24.083 23.338 7.237 0.00 0.00 SOLV ATOM 28294 OH2 TIP3 7434 -21.049 22.852 11.726 0.00 0.00 SOLV ATOM 28295 H1 TIP3 7434 -21.404 23.822 11.878 0.00 0.00 SOLV ATOM 28296 H2 TIP3 7434 -21.446 22.351 12.448 0.00 0.00 SOLV ATOM 28297 OH2 TIP3 7435 -19.666 23.642 24.290 0.00 0.00 SOLV ATOM 28298 H1 TIP3 7435 -19.967 22.863 24.858 0.00 0.00 SOLV ATOM 28299 H2 TIP3 7435 -18.863 23.903 24.663 0.00 0.00 SOLV ATOM 28300 OH2 TIP3 7436 4.172 14.649 30.539 0.00 0.00 SOLV ATOM 28301 H1 TIP3 7436 3.589 15.407 30.303 0.00 0.00 SOLV ATOM 28302 H2 TIP3 7436 4.878 15.065 31.008 0.00 0.00 SOLV ATOM 28303 OH2 TIP3 7437 2.583 -12.672 9.105 0.00 0.00 SOLV ATOM 28304 H1 TIP3 7437 1.643 -12.885 8.898 0.00 0.00 SOLV ATOM 28305 H2 TIP3 7437 2.993 -13.557 9.036 0.00 0.00 SOLV ATOM 28306 OH2 TIP3 7438 -17.935 20.723 21.045 0.00 0.00 SOLV ATOM 28307 H1 TIP3 7438 -17.306 21.508 20.983 0.00 0.00 SOLV ATOM 28308 H2 TIP3 7438 -17.726 20.301 20.205 0.00 0.00 SOLV ATOM 28309 OH2 TIP3 7439 -10.378 22.486 28.055 0.00 0.00 SOLV ATOM 28310 H1 TIP3 7439 -10.719 22.667 28.916 0.00 0.00 SOLV ATOM 28311 H2 TIP3 7439 -11.139 22.273 27.474 0.00 0.00 SOLV ATOM 28312 OH2 TIP3 7440 -6.298 24.605 26.502 0.00 0.00 SOLV ATOM 28313 H1 TIP3 7440 -6.614 23.899 27.015 0.00 0.00 SOLV ATOM 28314 H2 TIP3 7440 -6.972 24.638 25.731 0.00 0.00 SOLV ATOM 28315 OH2 TIP3 7441 2.157 25.034 14.908 0.00 0.00 SOLV ATOM 28316 H1 TIP3 7441 1.685 24.803 14.074 0.00 0.00 SOLV ATOM 28317 H2 TIP3 7441 1.799 25.912 15.129 0.00 0.00 SOLV ATOM 28318 OH2 TIP3 7442 -14.682 22.445 14.767 0.00 0.00 SOLV ATOM 28319 H1 TIP3 7442 -14.909 21.781 15.358 0.00 0.00 SOLV ATOM 28320 H2 TIP3 7442 -15.462 22.586 14.192 0.00 0.00 SOLV ATOM 28321 OH2 TIP3 7443 -27.395 21.773 26.699 0.00 0.00 SOLV ATOM 28322 H1 TIP3 7443 -27.342 20.947 26.232 0.00 0.00 SOLV ATOM 28323 H2 TIP3 7443 -28.312 21.787 26.935 0.00 0.00 SOLV ATOM 28324 OH2 TIP3 7444 -21.057 24.961 8.510 0.00 0.00 SOLV ATOM 28325 H1 TIP3 7444 -21.292 24.010 8.689 0.00 0.00 SOLV ATOM 28326 H2 TIP3 7444 -21.863 25.453 8.625 0.00 0.00 SOLV ATOM 28327 OH2 TIP3 7445 2.714 20.989 28.151 0.00 0.00 SOLV ATOM 28328 H1 TIP3 7445 1.881 21.477 27.905 0.00 0.00 SOLV ATOM 28329 H2 TIP3 7445 2.767 20.200 27.532 0.00 0.00 SOLV ATOM 28330 OH2 TIP3 7446 2.787 20.238 36.426 0.00 0.00 SOLV ATOM 28331 H1 TIP3 7446 3.702 20.278 36.695 0.00 0.00 SOLV ATOM 28332 H2 TIP3 7446 2.545 19.376 36.738 0.00 0.00 SOLV ATOM 28333 OH2 TIP3 7447 -3.775 25.892 14.274 0.00 0.00 SOLV ATOM 28334 H1 TIP3 7447 -4.033 25.191 13.658 0.00 0.00 SOLV ATOM 28335 H2 TIP3 7447 -4.601 26.242 14.634 0.00 0.00 SOLV ATOM 28336 OH2 TIP3 7448 -11.468 27.934 8.092 0.00 0.00 SOLV ATOM 28337 H1 TIP3 7448 -10.962 28.698 8.210 0.00 0.00 SOLV ATOM 28338 H2 TIP3 7448 -11.203 27.853 7.163 0.00 0.00 SOLV ATOM 28339 OH2 TIP3 7449 -1.569 24.116 15.220 0.00 0.00 SOLV ATOM 28340 H1 TIP3 7449 -0.903 24.366 14.580 0.00 0.00 SOLV ATOM 28341 H2 TIP3 7449 -2.307 24.754 15.113 0.00 0.00 SOLV ATOM 28342 OH2 TIP3 7450 10.468 27.321 17.005 0.00 0.00 SOLV ATOM 28343 H1 TIP3 7450 11.158 27.816 16.494 0.00 0.00 SOLV ATOM 28344 H2 TIP3 7450 10.900 26.509 17.213 0.00 0.00 SOLV ATOM 28345 OH2 TIP3 7451 -7.015 28.740 16.386 0.00 0.00 SOLV ATOM 28346 H1 TIP3 7451 -7.411 28.481 17.238 0.00 0.00 SOLV ATOM 28347 H2 TIP3 7451 -6.683 27.927 15.949 0.00 0.00 SOLV ATOM 28348 OH2 TIP3 7452 -17.616 22.816 26.825 0.00 0.00 SOLV ATOM 28349 H1 TIP3 7452 -17.519 22.952 27.749 0.00 0.00 SOLV ATOM 28350 H2 TIP3 7452 -18.489 22.364 26.837 0.00 0.00 SOLV ATOM 28351 OH2 TIP3 7453 4.669 21.956 18.687 0.00 0.00 SOLV ATOM 28352 H1 TIP3 7453 4.855 21.051 18.390 0.00 0.00 SOLV ATOM 28353 H2 TIP3 7453 4.089 22.212 17.994 0.00 0.00 SOLV ATOM 28354 OH2 TIP3 7454 -17.600 24.811 17.723 0.00 0.00 SOLV ATOM 28355 H1 TIP3 7454 -16.822 24.246 17.709 0.00 0.00 SOLV ATOM 28356 H2 TIP3 7454 -17.992 24.641 18.638 0.00 0.00 SOLV ATOM 28357 OH2 TIP3 7455 -12.692 23.766 6.817 0.00 0.00 SOLV ATOM 28358 H1 TIP3 7455 -12.079 24.082 7.543 0.00 0.00 SOLV ATOM 28359 H2 TIP3 7455 -13.504 23.380 7.210 0.00 0.00 SOLV ATOM 28360 OH2 TIP3 7456 -15.497 19.172 24.385 0.00 0.00 SOLV ATOM 28361 H1 TIP3 7456 -15.995 20.014 24.338 0.00 0.00 SOLV ATOM 28362 H2 TIP3 7456 -15.099 19.202 23.505 0.00 0.00 SOLV ATOM 28363 OH2 TIP3 7457 -15.948 16.851 33.338 0.00 0.00 SOLV ATOM 28364 H1 TIP3 7457 -15.749 15.976 33.667 0.00 0.00 SOLV ATOM 28365 H2 TIP3 7457 -15.233 17.378 33.697 0.00 0.00 SOLV ATOM 28366 OH2 TIP3 7458 -2.827 19.550 40.033 0.00 0.00 SOLV ATOM 28367 H1 TIP3 7458 -2.052 19.573 40.604 0.00 0.00 SOLV ATOM 28368 H2 TIP3 7458 -3.076 20.494 39.938 0.00 0.00 SOLV ATOM 28369 OH2 TIP3 7459 -4.303 21.928 14.577 0.00 0.00 SOLV ATOM 28370 H1 TIP3 7459 -4.909 21.224 14.814 0.00 0.00 SOLV ATOM 28371 H2 TIP3 7459 -4.166 22.386 15.409 0.00 0.00 SOLV ATOM 28372 OH2 TIP3 7460 -11.345 25.092 8.943 0.00 0.00 SOLV ATOM 28373 H1 TIP3 7460 -11.238 25.046 9.911 0.00 0.00 SOLV ATOM 28374 H2 TIP3 7460 -11.786 25.931 8.739 0.00 0.00 SOLV ATOM 28375 OH2 TIP3 7461 -4.070 18.893 37.503 0.00 0.00 SOLV ATOM 28376 H1 TIP3 7461 -3.681 19.108 38.362 0.00 0.00 SOLV ATOM 28377 H2 TIP3 7461 -3.512 18.156 37.118 0.00 0.00 SOLV ATOM 28378 OH2 TIP3 7462 3.106 22.991 16.356 0.00 0.00 SOLV ATOM 28379 H1 TIP3 7462 2.789 23.737 15.858 0.00 0.00 SOLV ATOM 28380 H2 TIP3 7462 3.652 22.483 15.713 0.00 0.00 SOLV ATOM 28381 OH2 TIP3 7463 -3.716 7.277 -34.604 0.00 0.00 SOLV ATOM 28382 H1 TIP3 7463 -4.308 8.044 -34.763 0.00 0.00 SOLV ATOM 28383 H2 TIP3 7463 -4.300 6.565 -34.343 0.00 0.00 SOLV ATOM 28384 OH2 TIP3 7464 -9.382 19.753 27.946 0.00 0.00 SOLV ATOM 28385 H1 TIP3 7464 -9.858 20.525 28.346 0.00 0.00 SOLV ATOM 28386 H2 TIP3 7464 -8.775 20.146 27.297 0.00 0.00 SOLV ATOM 28387 OH2 TIP3 7465 -2.447 23.108 32.788 0.00 0.00 SOLV ATOM 28388 H1 TIP3 7465 -2.892 22.470 32.158 0.00 0.00 SOLV ATOM 28389 H2 TIP3 7465 -1.888 22.545 33.372 0.00 0.00 SOLV ATOM 28390 OH2 TIP3 7466 -3.669 29.102 8.837 0.00 0.00 SOLV ATOM 28391 H1 TIP3 7466 -4.127 29.024 8.000 0.00 0.00 SOLV ATOM 28392 H2 TIP3 7466 -3.496 30.098 8.884 0.00 0.00 SOLV ATOM 28393 OH2 TIP3 7467 -10.005 25.869 -8.632 0.00 0.00 SOLV ATOM 28394 H1 TIP3 7467 -9.863 26.807 -8.800 0.00 0.00 SOLV ATOM 28395 H2 TIP3 7467 -9.801 25.348 -9.486 0.00 0.00 SOLV ATOM 28396 OH2 TIP3 7468 -8.651 28.435 18.872 0.00 0.00 SOLV ATOM 28397 H1 TIP3 7468 -9.348 28.037 19.448 0.00 0.00 SOLV ATOM 28398 H2 TIP3 7468 -7.851 28.345 19.423 0.00 0.00 SOLV ATOM 28399 OH2 TIP3 7469 -2.352 27.355 10.628 0.00 0.00 SOLV ATOM 28400 H1 TIP3 7469 -2.787 27.928 9.958 0.00 0.00 SOLV ATOM 28401 H2 TIP3 7469 -2.887 27.307 11.427 0.00 0.00 SOLV ATOM 28402 OH2 TIP3 7470 7.527 24.635 15.170 0.00 0.00 SOLV ATOM 28403 H1 TIP3 7470 7.696 25.211 15.912 0.00 0.00 SOLV ATOM 28404 H2 TIP3 7470 6.513 24.711 15.024 0.00 0.00 SOLV ATOM 28405 OH2 TIP3 7471 -0.501 19.176 35.658 0.00 0.00 SOLV ATOM 28406 H1 TIP3 7471 0.118 19.734 36.181 0.00 0.00 SOLV ATOM 28407 H2 TIP3 7471 -1.089 19.898 35.288 0.00 0.00 SOLV ATOM 28408 OH2 TIP3 7472 -10.929 27.911 23.191 0.00 0.00 SOLV ATOM 28409 H1 TIP3 7472 -11.340 28.830 23.305 0.00 0.00 SOLV ATOM 28410 H2 TIP3 7472 -11.710 27.324 23.295 0.00 0.00 SOLV ATOM 28411 OH2 TIP3 7473 5.188 22.226 39.736 0.00 0.00 SOLV ATOM 28412 H1 TIP3 7473 4.185 22.178 39.890 0.00 0.00 SOLV ATOM 28413 H2 TIP3 7473 5.322 22.149 38.752 0.00 0.00 SOLV ATOM 28414 OH2 TIP3 7474 -21.315 17.281 29.771 0.00 0.00 SOLV ATOM 28415 H1 TIP3 7474 -20.739 17.914 30.156 0.00 0.00 SOLV ATOM 28416 H2 TIP3 7474 -21.496 17.719 28.906 0.00 0.00 SOLV ATOM 28417 OH2 TIP3 7475 6.720 16.422 40.160 0.00 0.00 SOLV ATOM 28418 H1 TIP3 7475 7.608 16.580 39.810 0.00 0.00 SOLV ATOM 28419 H2 TIP3 7475 6.104 17.163 39.787 0.00 0.00 SOLV ATOM 28420 OH2 TIP3 7476 -4.185 17.060 42.475 0.00 0.00 SOLV ATOM 28421 H1 TIP3 7476 -4.823 17.664 42.094 0.00 0.00 SOLV ATOM 28422 H2 TIP3 7476 -3.746 17.629 43.106 0.00 0.00 SOLV ATOM 28423 OH2 TIP3 7477 0.163 21.857 11.622 0.00 0.00 SOLV ATOM 28424 H1 TIP3 7477 -0.424 21.838 12.420 0.00 0.00 SOLV ATOM 28425 H2 TIP3 7477 0.415 20.857 11.613 0.00 0.00 SOLV ATOM 28426 OH2 TIP3 7478 -25.102 19.712 9.067 0.00 0.00 SOLV ATOM 28427 H1 TIP3 7478 -25.163 20.397 9.779 0.00 0.00 SOLV ATOM 28428 H2 TIP3 7478 -25.935 19.216 9.209 0.00 0.00 SOLV ATOM 28429 OH2 TIP3 7479 -10.819 20.503 30.438 0.00 0.00 SOLV ATOM 28430 H1 TIP3 7479 -9.948 20.517 30.904 0.00 0.00 SOLV ATOM 28431 H2 TIP3 7479 -11.290 19.851 30.959 0.00 0.00 SOLV ATOM 28432 OH2 TIP3 7480 -14.058 18.776 34.244 0.00 0.00 SOLV ATOM 28433 H1 TIP3 7480 -13.763 18.776 35.113 0.00 0.00 SOLV ATOM 28434 H2 TIP3 7480 -14.547 19.595 34.216 0.00 0.00 SOLV ATOM 28435 OH2 TIP3 7481 -6.099 20.059 30.398 0.00 0.00 SOLV ATOM 28436 H1 TIP3 7481 -6.413 19.154 30.297 0.00 0.00 SOLV ATOM 28437 H2 TIP3 7481 -6.798 20.436 30.997 0.00 0.00 SOLV ATOM 28438 OH2 TIP3 7482 -6.934 17.462 31.957 0.00 0.00 SOLV ATOM 28439 H1 TIP3 7482 -7.627 17.056 31.521 0.00 0.00 SOLV ATOM 28440 H2 TIP3 7482 -7.331 17.813 32.808 0.00 0.00 SOLV ATOM 28441 OH2 TIP3 7483 16.663 13.599 -38.610 0.00 0.00 SOLV ATOM 28442 H1 TIP3 7483 15.868 13.466 -38.034 0.00 0.00 SOLV ATOM 28443 H2 TIP3 7483 16.853 12.787 -38.894 0.00 0.00 SOLV ATOM 28444 OH2 TIP3 7484 2.807 13.375 26.985 0.00 0.00 SOLV ATOM 28445 H1 TIP3 7484 3.182 12.503 26.779 0.00 0.00 SOLV ATOM 28446 H2 TIP3 7484 1.816 13.284 26.853 0.00 0.00 SOLV ATOM 28447 OH2 TIP3 7485 -4.394 3.894 38.553 0.00 0.00 SOLV ATOM 28448 H1 TIP3 7485 -5.308 4.171 38.358 0.00 0.00 SOLV ATOM 28449 H2 TIP3 7485 -4.451 3.166 39.197 0.00 0.00 SOLV ATOM 28450 OH2 TIP3 7486 -20.028 19.835 30.003 0.00 0.00 SOLV ATOM 28451 H1 TIP3 7486 -19.531 19.929 30.842 0.00 0.00 SOLV ATOM 28452 H2 TIP3 7486 -20.423 20.657 29.974 0.00 0.00 SOLV ATOM 28453 OH2 TIP3 7487 -6.174 17.730 40.599 0.00 0.00 SOLV ATOM 28454 H1 TIP3 7487 -6.982 17.537 41.080 0.00 0.00 SOLV ATOM 28455 H2 TIP3 7487 -6.347 17.383 39.696 0.00 0.00 SOLV ATOM 28456 OH2 TIP3 7488 -24.492 25.997 15.101 0.00 0.00 SOLV ATOM 28457 H1 TIP3 7488 -24.756 25.458 14.353 0.00 0.00 SOLV ATOM 28458 H2 TIP3 7488 -23.696 26.441 14.935 0.00 0.00 SOLV ATOM 28459 OH2 TIP3 7489 -18.892 9.815 24.711 0.00 0.00 SOLV ATOM 28460 H1 TIP3 7489 -18.601 9.503 23.810 0.00 0.00 SOLV ATOM 28461 H2 TIP3 7489 -19.615 10.495 24.500 0.00 0.00 SOLV ATOM 28462 OH2 TIP3 7490 5.584 20.163 35.506 0.00 0.00 SOLV ATOM 28463 H1 TIP3 7490 6.204 20.053 34.792 0.00 0.00 SOLV ATOM 28464 H2 TIP3 7490 5.607 19.272 35.840 0.00 0.00 SOLV ATOM 28465 OH2 TIP3 7491 0.049 21.276 37.378 0.00 0.00 SOLV ATOM 28466 H1 TIP3 7491 0.620 21.129 38.168 0.00 0.00 SOLV ATOM 28467 H2 TIP3 7491 0.176 22.216 37.232 0.00 0.00 SOLV ATOM 28468 OH2 TIP3 7492 37.833 7.137 -22.141 0.00 0.00 SOLV ATOM 28469 H1 TIP3 7492 36.919 7.326 -22.354 0.00 0.00 SOLV ATOM 28470 H2 TIP3 7492 37.974 7.721 -21.361 0.00 0.00 SOLV ATOM 28471 OH2 TIP3 7493 4.923 17.695 27.888 0.00 0.00 SOLV ATOM 28472 H1 TIP3 7493 5.381 17.713 28.797 0.00 0.00 SOLV ATOM 28473 H2 TIP3 7493 4.981 16.776 27.670 0.00 0.00 SOLV ATOM 28474 OH2 TIP3 7494 -5.836 20.863 33.649 0.00 0.00 SOLV ATOM 28475 H1 TIP3 7494 -5.572 21.056 32.735 0.00 0.00 SOLV ATOM 28476 H2 TIP3 7494 -5.744 19.904 33.708 0.00 0.00 SOLV ATOM 28477 OH2 TIP3 7495 -3.459 23.424 24.790 0.00 0.00 SOLV ATOM 28478 H1 TIP3 7495 -3.533 22.420 24.850 0.00 0.00 SOLV ATOM 28479 H2 TIP3 7495 -4.283 23.603 24.325 0.00 0.00 SOLV ATOM 28480 OH2 TIP3 7496 -6.292 26.280 15.159 0.00 0.00 SOLV ATOM 28481 H1 TIP3 7496 -6.584 25.386 15.242 0.00 0.00 SOLV ATOM 28482 H2 TIP3 7496 -6.812 26.585 14.420 0.00 0.00 SOLV ATOM 28483 OH2 TIP3 7497 -14.016 23.420 24.000 0.00 0.00 SOLV ATOM 28484 H1 TIP3 7497 -13.298 22.756 24.177 0.00 0.00 SOLV ATOM 28485 H2 TIP3 7497 -14.546 23.468 24.823 0.00 0.00 SOLV ATOM 28486 OH2 TIP3 7498 -0.124 25.740 10.268 0.00 0.00 SOLV ATOM 28487 H1 TIP3 7498 -0.092 25.690 9.324 0.00 0.00 SOLV ATOM 28488 H2 TIP3 7498 -0.989 26.000 10.477 0.00 0.00 SOLV ATOM 28489 OH2 TIP3 7499 -11.095 15.878 14.187 0.00 0.00 SOLV ATOM 28490 H1 TIP3 7499 -11.925 16.027 13.757 0.00 0.00 SOLV ATOM 28491 H2 TIP3 7499 -10.474 16.544 13.781 0.00 0.00 SOLV ATOM 28492 OH2 TIP3 7500 -13.190 30.330 11.602 0.00 0.00 SOLV ATOM 28493 H1 TIP3 7500 -14.138 30.095 11.477 0.00 0.00 SOLV ATOM 28494 H2 TIP3 7500 -13.169 31.059 12.225 0.00 0.00 SOLV ATOM 28495 OH2 TIP3 7501 -6.913 19.612 22.806 0.00 0.00 SOLV ATOM 28496 H1 TIP3 7501 -6.438 19.556 21.974 0.00 0.00 SOLV ATOM 28497 H2 TIP3 7501 -7.869 19.606 22.441 0.00 0.00 SOLV ATOM 28498 OH2 TIP3 7502 6.551 24.959 9.209 0.00 0.00 SOLV ATOM 28499 H1 TIP3 7502 6.451 25.326 10.149 0.00 0.00 SOLV ATOM 28500 H2 TIP3 7502 7.197 24.224 9.357 0.00 0.00 SOLV ATOM 28501 OH2 TIP3 7503 -25.619 14.043 17.371 0.00 0.00 SOLV ATOM 28502 H1 TIP3 7503 -26.383 14.605 17.697 0.00 0.00 SOLV ATOM 28503 H2 TIP3 7503 -25.645 13.270 17.931 0.00 0.00 SOLV ATOM 28504 OH2 TIP3 7504 -6.006 23.682 20.440 0.00 0.00 SOLV ATOM 28505 H1 TIP3 7504 -6.153 22.747 20.432 0.00 0.00 SOLV ATOM 28506 H2 TIP3 7504 -6.803 24.094 20.793 0.00 0.00 SOLV ATOM 28507 OH2 TIP3 7505 0.570 16.501 39.594 0.00 0.00 SOLV ATOM 28508 H1 TIP3 7505 -0.418 16.456 39.746 0.00 0.00 SOLV ATOM 28509 H2 TIP3 7505 0.891 16.478 40.456 0.00 0.00 SOLV ATOM 28510 OH2 TIP3 7506 -3.074 28.647 15.431 0.00 0.00 SOLV ATOM 28511 H1 TIP3 7506 -3.456 28.906 16.260 0.00 0.00 SOLV ATOM 28512 H2 TIP3 7506 -3.220 27.677 15.358 0.00 0.00 SOLV ATOM 28513 OH2 TIP3 7507 10.263 19.929 38.353 0.00 0.00 SOLV ATOM 28514 H1 TIP3 7507 9.945 19.157 37.868 0.00 0.00 SOLV ATOM 28515 H2 TIP3 7507 9.507 20.558 38.219 0.00 0.00 SOLV ATOM 28516 OH2 TIP3 7508 -8.632 25.190 8.359 0.00 0.00 SOLV ATOM 28517 H1 TIP3 7508 -9.506 25.448 8.558 0.00 0.00 SOLV ATOM 28518 H2 TIP3 7508 -8.694 24.513 7.606 0.00 0.00 SOLV ATOM 28519 OH2 TIP3 7509 2.409 28.587 9.906 0.00 0.00 SOLV ATOM 28520 H1 TIP3 7509 1.679 28.330 9.413 0.00 0.00 SOLV ATOM 28521 H2 TIP3 7509 2.924 27.725 10.120 0.00 0.00 SOLV ATOM 28522 OH2 TIP3 7510 7.002 25.890 11.862 0.00 0.00 SOLV ATOM 28523 H1 TIP3 7510 6.117 25.948 12.220 0.00 0.00 SOLV ATOM 28524 H2 TIP3 7510 7.498 26.256 12.627 0.00 0.00 SOLV ATOM 28525 OH2 TIP3 7511 10.148 18.649 12.211 0.00 0.00 SOLV ATOM 28526 H1 TIP3 7511 9.652 17.945 11.809 0.00 0.00 SOLV ATOM 28527 H2 TIP3 7511 9.644 18.885 13.022 0.00 0.00 SOLV ATOM 28528 OH2 TIP3 7512 -13.371 18.961 22.512 0.00 0.00 SOLV ATOM 28529 H1 TIP3 7512 -13.259 18.832 21.539 0.00 0.00 SOLV ATOM 28530 H2 TIP3 7512 -12.935 18.193 22.969 0.00 0.00 SOLV ATOM 28531 OH2 TIP3 7513 -11.752 31.505 9.549 0.00 0.00 SOLV ATOM 28532 H1 TIP3 7513 -12.170 30.739 9.954 0.00 0.00 SOLV ATOM 28533 H2 TIP3 7513 -11.907 32.253 10.193 0.00 0.00 SOLV ATOM 28534 OH2 TIP3 7514 0.441 24.433 12.815 0.00 0.00 SOLV ATOM 28535 H1 TIP3 7514 0.354 25.071 12.074 0.00 0.00 SOLV ATOM 28536 H2 TIP3 7514 0.280 23.547 12.413 0.00 0.00 SOLV ATOM 28537 OH2 TIP3 7515 -5.218 17.654 27.143 0.00 0.00 SOLV ATOM 28538 H1 TIP3 7515 -4.705 18.452 27.435 0.00 0.00 SOLV ATOM 28539 H2 TIP3 7515 -6.024 17.977 26.618 0.00 0.00 SOLV ATOM 28540 OH2 TIP3 7516 5.527 24.503 19.389 0.00 0.00 SOLV ATOM 28541 H1 TIP3 7516 5.251 23.558 19.218 0.00 0.00 SOLV ATOM 28542 H2 TIP3 7516 4.730 25.023 19.142 0.00 0.00 SOLV ATOM 28543 OH2 TIP3 7517 -4.488 23.781 12.778 0.00 0.00 SOLV ATOM 28544 H1 TIP3 7517 -3.844 23.643 12.008 0.00 0.00 SOLV ATOM 28545 H2 TIP3 7517 -4.336 23.066 13.383 0.00 0.00 SOLV ATOM 28546 OH2 TIP3 7518 6.120 22.913 29.261 0.00 0.00 SOLV ATOM 28547 H1 TIP3 7518 5.534 23.620 29.013 0.00 0.00 SOLV ATOM 28548 H2 TIP3 7518 6.583 22.809 28.464 0.00 0.00 SOLV ATOM 28549 OH2 TIP3 7519 2.415 9.236 7.761 0.00 0.00 SOLV ATOM 28550 H1 TIP3 7519 3.307 9.215 8.004 0.00 0.00 SOLV ATOM 28551 H2 TIP3 7519 2.061 8.342 7.764 0.00 0.00 SOLV ATOM 28552 OH2 TIP3 7520 7.109 18.302 37.969 0.00 0.00 SOLV ATOM 28553 H1 TIP3 7520 7.852 18.503 37.389 0.00 0.00 SOLV ATOM 28554 H2 TIP3 7520 6.567 17.815 37.412 0.00 0.00 SOLV ATOM 28555 OH2 TIP3 7521 1.635 17.186 44.551 0.00 0.00 SOLV ATOM 28556 H1 TIP3 7521 2.396 17.401 45.093 0.00 0.00 SOLV ATOM 28557 H2 TIP3 7521 2.034 16.599 43.834 0.00 0.00 SOLV ATOM 28558 OH2 TIP3 7522 15.513 9.486 18.542 0.00 0.00 SOLV ATOM 28559 H1 TIP3 7522 16.199 10.111 18.815 0.00 0.00 SOLV ATOM 28560 H2 TIP3 7522 14.827 9.993 18.849 0.00 0.00 SOLV ATOM 28561 OH2 TIP3 7523 -20.281 11.266 -12.082 0.00 0.00 SOLV ATOM 28562 H1 TIP3 7523 -21.084 10.801 -12.100 0.00 0.00 SOLV ATOM 28563 H2 TIP3 7523 -19.601 10.627 -11.853 0.00 0.00 SOLV ATOM 28564 OH2 TIP3 7524 -20.247 19.420 11.176 0.00 0.00 SOLV ATOM 28565 H1 TIP3 7524 -20.568 18.644 11.530 0.00 0.00 SOLV ATOM 28566 H2 TIP3 7524 -20.057 19.962 11.982 0.00 0.00 SOLV ATOM 28567 OH2 TIP3 7525 16.597 23.630 13.185 0.00 0.00 SOLV ATOM 28568 H1 TIP3 7525 17.473 23.774 13.530 0.00 0.00 SOLV ATOM 28569 H2 TIP3 7525 16.027 23.514 14.005 0.00 0.00 SOLV ATOM 28570 OH2 TIP3 7526 -6.704 24.884 17.631 0.00 0.00 SOLV ATOM 28571 H1 TIP3 7526 -7.440 24.495 17.073 0.00 0.00 SOLV ATOM 28572 H2 TIP3 7526 -6.734 24.329 18.454 0.00 0.00 SOLV ATOM 28573 OH2 TIP3 7527 -16.253 19.294 31.279 0.00 0.00 SOLV ATOM 28574 H1 TIP3 7527 -15.529 19.907 31.016 0.00 0.00 SOLV ATOM 28575 H2 TIP3 7527 -15.780 18.497 31.632 0.00 0.00 SOLV ATOM 28576 OH2 TIP3 7528 1.834 31.281 9.627 0.00 0.00 SOLV ATOM 28577 H1 TIP3 7528 1.239 31.385 10.413 0.00 0.00 SOLV ATOM 28578 H2 TIP3 7528 2.120 30.379 9.774 0.00 0.00 SOLV ATOM 28579 OH2 TIP3 7529 2.935 25.305 18.259 0.00 0.00 SOLV ATOM 28580 H1 TIP3 7529 2.376 26.083 18.010 0.00 0.00 SOLV ATOM 28581 H2 TIP3 7529 3.234 24.936 17.470 0.00 0.00 SOLV ATOM 28582 OH2 TIP3 7530 -11.763 28.759 18.121 0.00 0.00 SOLV ATOM 28583 H1 TIP3 7530 -11.569 29.692 18.098 0.00 0.00 SOLV ATOM 28584 H2 TIP3 7530 -10.897 28.367 18.301 0.00 0.00 SOLV ATOM 28585 OH2 TIP3 7531 -0.886 23.801 24.235 0.00 0.00 SOLV ATOM 28586 H1 TIP3 7531 -1.801 23.710 24.635 0.00 0.00 SOLV ATOM 28587 H2 TIP3 7531 -0.447 22.920 24.365 0.00 0.00 SOLV ATOM 28588 OH2 TIP3 7532 -5.425 24.749 23.359 0.00 0.00 SOLV ATOM 28589 H1 TIP3 7532 -6.012 24.269 22.789 0.00 0.00 SOLV ATOM 28590 H2 TIP3 7532 -5.664 25.657 23.283 0.00 0.00 SOLV ATOM 28591 OH2 TIP3 7533 -7.815 27.295 12.914 0.00 0.00 SOLV ATOM 28592 H1 TIP3 7533 -8.432 27.844 13.455 0.00 0.00 SOLV ATOM 28593 H2 TIP3 7533 -8.462 27.009 12.192 0.00 0.00 SOLV ATOM 28594 OH2 TIP3 7534 -14.310 29.566 17.296 0.00 0.00 SOLV ATOM 28595 H1 TIP3 7534 -13.517 28.997 17.547 0.00 0.00 SOLV ATOM 28596 H2 TIP3 7534 -14.554 29.950 18.239 0.00 0.00 SOLV ATOM 28597 OH2 TIP3 7535 2.007 24.398 30.499 0.00 0.00 SOLV ATOM 28598 H1 TIP3 7535 1.129 23.885 30.610 0.00 0.00 SOLV ATOM 28599 H2 TIP3 7535 2.416 23.899 29.776 0.00 0.00 SOLV ATOM 28600 OH2 TIP3 7536 4.211 21.747 11.164 0.00 0.00 SOLV ATOM 28601 H1 TIP3 7536 4.015 21.413 12.055 0.00 0.00 SOLV ATOM 28602 H2 TIP3 7536 4.796 21.019 10.844 0.00 0.00 SOLV ATOM 28603 OH2 TIP3 7537 11.654 20.491 19.664 0.00 0.00 SOLV ATOM 28604 H1 TIP3 7537 10.854 20.705 19.130 0.00 0.00 SOLV ATOM 28605 H2 TIP3 7537 11.655 19.523 19.808 0.00 0.00 SOLV ATOM 28606 OH2 TIP3 7538 18.500 9.641 24.429 0.00 0.00 SOLV ATOM 28607 H1 TIP3 7538 19.109 10.297 24.105 0.00 0.00 SOLV ATOM 28608 H2 TIP3 7538 17.975 10.142 24.996 0.00 0.00 SOLV ATOM 28609 OH2 TIP3 7539 -3.962 20.656 17.789 0.00 0.00 SOLV ATOM 28610 H1 TIP3 7539 -3.073 20.958 17.480 0.00 0.00 SOLV ATOM 28611 H2 TIP3 7539 -4.434 21.469 17.645 0.00 0.00 SOLV ATOM 28612 OH2 TIP3 7540 3.285 18.852 26.152 0.00 0.00 SOLV ATOM 28613 H1 TIP3 7540 3.859 18.322 26.836 0.00 0.00 SOLV ATOM 28614 H2 TIP3 7540 3.885 19.573 25.904 0.00 0.00 SOLV ATOM 28615 OH2 TIP3 7541 -11.710 20.844 19.811 0.00 0.00 SOLV ATOM 28616 H1 TIP3 7541 -11.158 20.517 19.117 0.00 0.00 SOLV ATOM 28617 H2 TIP3 7541 -12.601 20.433 19.579 0.00 0.00 SOLV ATOM 28618 OH2 TIP3 7542 3.646 20.747 32.716 0.00 0.00 SOLV ATOM 28619 H1 TIP3 7542 4.087 20.656 31.870 0.00 0.00 SOLV ATOM 28620 H2 TIP3 7542 3.666 19.822 33.107 0.00 0.00 SOLV ATOM 28621 OH2 TIP3 7543 -5.475 18.179 17.430 0.00 0.00 SOLV ATOM 28622 H1 TIP3 7543 -5.066 19.064 17.425 0.00 0.00 SOLV ATOM 28623 H2 TIP3 7543 -4.775 17.635 17.898 0.00 0.00 SOLV ATOM 28624 OH2 TIP3 7544 12.317 25.258 15.779 0.00 0.00 SOLV ATOM 28625 H1 TIP3 7544 12.966 24.703 15.415 0.00 0.00 SOLV ATOM 28626 H2 TIP3 7544 11.634 25.403 15.080 0.00 0.00 SOLV ATOM 28627 OH2 TIP3 7545 -1.579 17.607 23.858 0.00 0.00 SOLV ATOM 28628 H1 TIP3 7545 -1.859 17.915 22.935 0.00 0.00 SOLV ATOM 28629 H2 TIP3 7545 -1.900 18.348 24.376 0.00 0.00 SOLV ATOM 28630 OH2 TIP3 7546 0.711 18.510 21.964 0.00 0.00 SOLV ATOM 28631 H1 TIP3 7546 1.228 19.219 21.516 0.00 0.00 SOLV ATOM 28632 H2 TIP3 7546 0.322 19.018 22.689 0.00 0.00 SOLV ATOM 28633 OH2 TIP3 7547 -3.897 4.983 34.296 0.00 0.00 SOLV ATOM 28634 H1 TIP3 7547 -4.208 5.805 34.678 0.00 0.00 SOLV ATOM 28635 H2 TIP3 7547 -3.423 4.494 34.956 0.00 0.00 SOLV ATOM 28636 OH2 TIP3 7548 -4.203 18.714 33.882 0.00 0.00 SOLV ATOM 28637 H1 TIP3 7548 -4.256 18.135 34.589 0.00 0.00 SOLV ATOM 28638 H2 TIP3 7548 -3.534 18.317 33.274 0.00 0.00 SOLV ATOM 28639 OH2 TIP3 7549 -3.661 22.662 27.628 0.00 0.00 SOLV ATOM 28640 H1 TIP3 7549 -3.695 23.565 27.184 0.00 0.00 SOLV ATOM 28641 H2 TIP3 7549 -3.081 22.853 28.372 0.00 0.00 SOLV ATOM 28642 OH2 TIP3 7550 3.599 19.267 41.262 0.00 0.00 SOLV ATOM 28643 H1 TIP3 7550 4.556 19.240 41.054 0.00 0.00 SOLV ATOM 28644 H2 TIP3 7550 3.546 19.285 42.248 0.00 0.00 SOLV ATOM 28645 OH2 TIP3 7551 -14.081 20.663 30.643 0.00 0.00 SOLV ATOM 28646 H1 TIP3 7551 -13.454 21.019 31.324 0.00 0.00 SOLV ATOM 28647 H2 TIP3 7551 -13.508 20.498 29.846 0.00 0.00 SOLV ATOM 28648 OH2 TIP3 7552 0.544 22.448 17.335 0.00 0.00 SOLV ATOM 28649 H1 TIP3 7552 0.484 22.963 18.128 0.00 0.00 SOLV ATOM 28650 H2 TIP3 7552 1.457 22.533 17.126 0.00 0.00 SOLV ATOM 28651 OH2 TIP3 7553 -2.231 20.722 22.661 0.00 0.00 SOLV ATOM 28652 H1 TIP3 7553 -1.360 20.939 22.997 0.00 0.00 SOLV ATOM 28653 H2 TIP3 7553 -2.575 21.532 22.258 0.00 0.00 SOLV ATOM 28654 OH2 TIP3 7554 5.166 21.204 26.085 0.00 0.00 SOLV ATOM 28655 H1 TIP3 7554 5.327 21.547 26.973 0.00 0.00 SOLV ATOM 28656 H2 TIP3 7554 4.351 21.647 25.862 0.00 0.00 SOLV ATOM 28657 OH2 TIP3 7555 11.375 17.798 18.970 0.00 0.00 SOLV ATOM 28658 H1 TIP3 7555 12.196 17.362 18.673 0.00 0.00 SOLV ATOM 28659 H2 TIP3 7555 11.134 17.345 19.773 0.00 0.00 SOLV ATOM 28660 OH2 TIP3 7556 -10.140 7.402 26.748 0.00 0.00 SOLV ATOM 28661 H1 TIP3 7556 -9.817 8.323 26.864 0.00 0.00 SOLV ATOM 28662 H2 TIP3 7556 -11.143 7.432 26.707 0.00 0.00 SOLV ATOM 28663 OH2 TIP3 7557 -2.536 17.931 31.658 0.00 0.00 SOLV ATOM 28664 H1 TIP3 7557 -2.304 17.195 32.226 0.00 0.00 SOLV ATOM 28665 H2 TIP3 7557 -2.100 17.655 30.808 0.00 0.00 SOLV ATOM 28666 OH2 TIP3 7558 -0.476 21.581 26.316 0.00 0.00 SOLV ATOM 28667 H1 TIP3 7558 -0.573 21.748 27.285 0.00 0.00 SOLV ATOM 28668 H2 TIP3 7558 -1.280 20.994 26.110 0.00 0.00 SOLV ATOM 28669 OH2 TIP3 7559 3.622 21.480 21.316 0.00 0.00 SOLV ATOM 28670 H1 TIP3 7559 3.779 21.773 20.419 0.00 0.00 SOLV ATOM 28671 H2 TIP3 7559 4.286 21.956 21.826 0.00 0.00 SOLV ATOM 28672 OH2 TIP3 7560 -4.541 20.073 28.163 0.00 0.00 SOLV ATOM 28673 H1 TIP3 7560 -5.059 20.105 28.962 0.00 0.00 SOLV ATOM 28674 H2 TIP3 7560 -4.246 21.017 28.041 0.00 0.00 SOLV ATOM 28675 OH2 TIP3 7561 -1.075 26.282 7.553 0.00 0.00 SOLV ATOM 28676 H1 TIP3 7561 -1.066 27.230 7.587 0.00 0.00 SOLV ATOM 28677 H2 TIP3 7561 -2.025 26.003 7.622 0.00 0.00 SOLV ATOM 28678 OH2 TIP3 7562 1.978 24.074 27.703 0.00 0.00 SOLV ATOM 28679 H1 TIP3 7562 2.445 24.208 26.913 0.00 0.00 SOLV ATOM 28680 H2 TIP3 7562 1.420 24.847 27.899 0.00 0.00 SOLV ATOM 28681 OH2 TIP3 7563 -10.566 27.125 20.687 0.00 0.00 SOLV ATOM 28682 H1 TIP3 7563 -11.383 26.613 20.597 0.00 0.00 SOLV ATOM 28683 H2 TIP3 7563 -10.464 27.172 21.653 0.00 0.00 SOLV ATOM 28684 OH2 TIP3 7564 5.084 19.216 23.793 0.00 0.00 SOLV ATOM 28685 H1 TIP3 7564 4.251 19.677 23.583 0.00 0.00 SOLV ATOM 28686 H2 TIP3 7564 5.686 19.981 23.983 0.00 0.00 SOLV ATOM 28687 OH2 TIP3 7565 -0.169 22.259 34.280 0.00 0.00 SOLV ATOM 28688 H1 TIP3 7565 -0.430 22.269 35.183 0.00 0.00 SOLV ATOM 28689 H2 TIP3 7565 0.716 22.628 34.344 0.00 0.00 SOLV ATOM 28690 OH2 TIP3 7566 -5.440 27.273 18.464 0.00 0.00 SOLV ATOM 28691 H1 TIP3 7566 -5.054 26.726 19.176 0.00 0.00 SOLV ATOM 28692 H2 TIP3 7566 -5.888 26.555 17.893 0.00 0.00 SOLV ATOM 28693 OH2 TIP3 7567 -8.621 17.898 33.950 0.00 0.00 SOLV ATOM 28694 H1 TIP3 7567 -8.973 16.977 33.875 0.00 0.00 SOLV ATOM 28695 H2 TIP3 7567 -8.774 18.219 34.829 0.00 0.00 SOLV ATOM 28696 OH2 TIP3 7568 3.955 23.739 9.384 0.00 0.00 SOLV ATOM 28697 H1 TIP3 7568 4.831 23.975 8.991 0.00 0.00 SOLV ATOM 28698 H2 TIP3 7568 4.142 23.019 10.004 0.00 0.00 SOLV ATOM 28699 OH2 TIP3 7569 -1.217 19.630 19.127 0.00 0.00 SOLV ATOM 28700 H1 TIP3 7569 -0.405 20.059 18.977 0.00 0.00 SOLV ATOM 28701 H2 TIP3 7569 -1.123 19.419 20.044 0.00 0.00 SOLV ATOM 28702 OH2 TIP3 7570 -5.556 26.312 11.555 0.00 0.00 SOLV ATOM 28703 H1 TIP3 7570 -6.102 26.605 12.253 0.00 0.00 SOLV ATOM 28704 H2 TIP3 7570 -5.356 25.413 11.968 0.00 0.00 SOLV ATOM 28705 OH2 TIP3 7571 -1.724 21.342 16.330 0.00 0.00 SOLV ATOM 28706 H1 TIP3 7571 -1.647 22.086 15.744 0.00 0.00 SOLV ATOM 28707 H2 TIP3 7571 -1.027 21.528 16.956 0.00 0.00 SOLV ATOM 28708 OH2 TIP3 7572 -6.490 30.126 12.977 0.00 0.00 SOLV ATOM 28709 H1 TIP3 7572 -6.238 30.204 12.063 0.00 0.00 SOLV ATOM 28710 H2 TIP3 7572 -6.885 29.201 13.024 0.00 0.00 SOLV ATOM 28711 OH2 TIP3 7573 4.782 13.152 1.851 0.00 0.00 SOLV ATOM 28712 H1 TIP3 7573 4.273 12.614 2.412 0.00 0.00 SOLV ATOM 28713 H2 TIP3 7573 5.556 13.236 2.321 0.00 0.00 SOLV ATOM 28714 OH2 TIP3 7574 32.777 10.920 -27.933 0.00 0.00 SOLV ATOM 28715 H1 TIP3 7574 32.264 10.128 -27.728 0.00 0.00 SOLV ATOM 28716 H2 TIP3 7574 32.687 11.345 -27.080 0.00 0.00 SOLV ATOM 28717 OH2 TIP3 7575 5.185 17.436 36.121 0.00 0.00 SOLV ATOM 28718 H1 TIP3 7575 4.268 17.080 35.894 0.00 0.00 SOLV ATOM 28719 H2 TIP3 7575 5.807 16.834 35.781 0.00 0.00 SOLV ATOM 28720 OH2 TIP3 7576 9.522 26.376 19.421 0.00 0.00 SOLV ATOM 28721 H1 TIP3 7576 9.563 27.081 18.677 0.00 0.00 SOLV ATOM 28722 H2 TIP3 7576 10.304 25.878 19.161 0.00 0.00 SOLV ATOM 28723 OH2 TIP3 7577 -4.051 25.571 19.990 0.00 0.00 SOLV ATOM 28724 H1 TIP3 7577 -3.549 25.553 19.156 0.00 0.00 SOLV ATOM 28725 H2 TIP3 7577 -4.562 24.726 19.909 0.00 0.00 SOLV ATOM 28726 OH2 TIP3 7578 -8.601 19.082 19.904 0.00 0.00 SOLV ATOM 28727 H1 TIP3 7578 -8.433 18.293 19.354 0.00 0.00 SOLV ATOM 28728 H2 TIP3 7578 -9.248 19.553 19.373 0.00 0.00 SOLV ATOM 28729 OH2 TIP3 7579 -13.986 1.800 -6.794 0.00 0.00 SOLV ATOM 28730 H1 TIP3 7579 -13.173 2.148 -7.129 0.00 0.00 SOLV ATOM 28731 H2 TIP3 7579 -14.068 0.873 -7.233 0.00 0.00 SOLV ATOM 28732 OH2 TIP3 7580 1.020 23.724 -1.127 0.00 0.00 SOLV ATOM 28733 H1 TIP3 7580 1.524 23.714 -2.020 0.00 0.00 SOLV ATOM 28734 H2 TIP3 7580 1.257 22.806 -0.827 0.00 0.00 SOLV ATOM 28735 OH2 TIP3 7581 -0.359 15.822 12.559 0.00 0.00 SOLV ATOM 28736 H1 TIP3 7581 0.587 15.738 12.404 0.00 0.00 SOLV ATOM 28737 H2 TIP3 7581 -0.456 15.452 13.461 0.00 0.00 SOLV ATOM 28738 OH2 TIP3 7582 -0.768 23.805 30.134 0.00 0.00 SOLV ATOM 28739 H1 TIP3 7582 -0.852 24.482 29.467 0.00 0.00 SOLV ATOM 28740 H2 TIP3 7582 -1.305 24.259 30.847 0.00 0.00 SOLV ATOM 28741 OH2 TIP3 7583 -10.313 19.843 17.799 0.00 0.00 SOLV ATOM 28742 H1 TIP3 7583 -10.362 18.918 17.442 0.00 0.00 SOLV ATOM 28743 H2 TIP3 7583 -9.849 20.332 17.094 0.00 0.00 SOLV ATOM 28744 OH2 TIP3 7584 0.422 17.213 33.489 0.00 0.00 SOLV ATOM 28745 H1 TIP3 7584 0.160 17.469 34.368 0.00 0.00 SOLV ATOM 28746 H2 TIP3 7584 0.569 18.142 33.132 0.00 0.00 SOLV ATOM 28747 OH2 TIP3 7585 -6.992 18.057 37.284 0.00 0.00 SOLV ATOM 28748 H1 TIP3 7585 -6.012 18.176 37.148 0.00 0.00 SOLV ATOM 28749 H2 TIP3 7585 -7.241 18.983 37.403 0.00 0.00 SOLV ATOM 28750 OH2 TIP3 7586 -10.327 27.420 10.920 0.00 0.00 SOLV ATOM 28751 H1 TIP3 7586 -10.555 26.524 11.327 0.00 0.00 SOLV ATOM 28752 H2 TIP3 7586 -11.050 27.593 10.247 0.00 0.00 SOLV ATOM 28753 OH2 TIP3 7587 -2.828 18.009 21.316 0.00 0.00 SOLV ATOM 28754 H1 TIP3 7587 -3.037 18.920 21.372 0.00 0.00 SOLV ATOM 28755 H2 TIP3 7587 -3.785 17.656 21.253 0.00 0.00 SOLV ATOM 28756 OH2 TIP3 7588 8.026 21.342 37.482 0.00 0.00 SOLV ATOM 28757 H1 TIP3 7588 8.226 22.307 37.568 0.00 0.00 SOLV ATOM 28758 H2 TIP3 7588 7.068 21.359 37.386 0.00 0.00 SOLV ATOM 28759 OH2 TIP3 7589 14.762 21.430 12.487 0.00 0.00 SOLV ATOM 28760 H1 TIP3 7589 15.314 22.266 12.542 0.00 0.00 SOLV ATOM 28761 H2 TIP3 7589 14.957 20.946 13.311 0.00 0.00 SOLV ATOM 28762 OH2 TIP3 7590 12.951 21.648 7.720 0.00 0.00 SOLV ATOM 28763 H1 TIP3 7590 13.249 20.725 7.806 0.00 0.00 SOLV ATOM 28764 H2 TIP3 7590 12.719 21.881 8.585 0.00 0.00 SOLV ATOM 28765 OH2 TIP3 7591 1.242 23.866 19.847 0.00 0.00 SOLV ATOM 28766 H1 TIP3 7591 1.771 24.537 19.278 0.00 0.00 SOLV ATOM 28767 H2 TIP3 7591 1.392 24.095 20.814 0.00 0.00 SOLV ATOM 28768 OH2 TIP3 7592 -2.558 22.401 11.209 0.00 0.00 SOLV ATOM 28769 H1 TIP3 7592 -2.490 21.615 11.800 0.00 0.00 SOLV ATOM 28770 H2 TIP3 7592 -1.616 22.398 10.913 0.00 0.00 SOLV ATOM 28771 OH2 TIP3 7593 14.015 26.684 23.060 0.00 0.00 SOLV ATOM 28772 H1 TIP3 7593 14.566 27.352 22.612 0.00 0.00 SOLV ATOM 28773 H2 TIP3 7593 14.323 25.840 22.661 0.00 0.00 SOLV ATOM 28774 OH2 TIP3 7594 2.652 22.439 34.580 0.00 0.00 SOLV ATOM 28775 H1 TIP3 7594 3.141 21.969 33.881 0.00 0.00 SOLV ATOM 28776 H2 TIP3 7594 2.487 21.752 35.292 0.00 0.00 SOLV ATOM 28777 OH2 TIP3 7595 7.520 22.145 18.936 0.00 0.00 SOLV ATOM 28778 H1 TIP3 7595 7.791 23.064 19.363 0.00 0.00 SOLV ATOM 28779 H2 TIP3 7595 6.582 21.996 19.127 0.00 0.00 SOLV ATOM 28780 OH2 TIP3 7596 -2.290 25.230 17.944 0.00 0.00 SOLV ATOM 28781 H1 TIP3 7596 -1.715 25.984 17.997 0.00 0.00 SOLV ATOM 28782 H2 TIP3 7596 -1.751 24.474 17.843 0.00 0.00 SOLV ATOM 28783 OH2 TIP3 7597 6.183 19.362 40.183 0.00 0.00 SOLV ATOM 28784 H1 TIP3 7597 6.624 18.829 39.532 0.00 0.00 SOLV ATOM 28785 H2 TIP3 7597 6.171 20.222 39.690 0.00 0.00 SOLV ATOM 28786 OH2 TIP3 7598 7.711 17.955 42.629 0.00 0.00 SOLV ATOM 28787 H1 TIP3 7598 6.944 17.261 42.736 0.00 0.00 SOLV ATOM 28788 H2 TIP3 7598 7.692 18.258 41.716 0.00 0.00 SOLV ATOM 28789 OH2 TIP3 7599 4.707 29.597 11.370 0.00 0.00 SOLV ATOM 28790 H1 TIP3 7599 5.469 30.168 10.964 0.00 0.00 SOLV ATOM 28791 H2 TIP3 7599 4.131 29.412 10.630 0.00 0.00 SOLV ATOM 28792 OH2 TIP3 7600 -6.883 21.204 19.739 0.00 0.00 SOLV ATOM 28793 H1 TIP3 7600 -7.462 20.469 19.754 0.00 0.00 SOLV ATOM 28794 H2 TIP3 7600 -6.034 20.821 20.008 0.00 0.00 SOLV ATOM 28795 OH2 TIP3 7601 -0.560 28.836 8.223 0.00 0.00 SOLV ATOM 28796 H1 TIP3 7601 -1.223 28.635 8.872 0.00 0.00 SOLV ATOM 28797 H2 TIP3 7601 -0.722 29.795 8.094 0.00 0.00 SOLV ATOM 28798 OH2 TIP3 7602 9.809 25.458 7.517 0.00 0.00 SOLV ATOM 28799 H1 TIP3 7602 9.961 25.727 8.461 0.00 0.00 SOLV ATOM 28800 H2 TIP3 7602 10.684 25.467 7.153 0.00 0.00 SOLV ATOM 28801 OH2 TIP3 7603 2.154 17.684 37.614 0.00 0.00 SOLV ATOM 28802 H1 TIP3 7603 2.065 17.119 36.839 0.00 0.00 SOLV ATOM 28803 H2 TIP3 7603 1.496 17.358 38.265 0.00 0.00 SOLV ATOM 28804 OH2 TIP3 7604 -1.600 30.824 11.079 0.00 0.00 SOLV ATOM 28805 H1 TIP3 7604 -1.202 31.726 11.244 0.00 0.00 SOLV ATOM 28806 H2 TIP3 7604 -0.922 30.321 11.523 0.00 0.00 SOLV ATOM 28807 OH2 TIP3 7605 -5.612 30.621 10.292 0.00 0.00 SOLV ATOM 28808 H1 TIP3 7605 -5.178 29.837 10.005 0.00 0.00 SOLV ATOM 28809 H2 TIP3 7605 -5.317 31.302 9.671 0.00 0.00 SOLV ATOM 28810 OH2 TIP3 7606 7.564 23.083 26.851 0.00 0.00 SOLV ATOM 28811 H1 TIP3 7606 7.506 23.844 26.281 0.00 0.00 SOLV ATOM 28812 H2 TIP3 7606 8.435 22.628 26.665 0.00 0.00 SOLV ATOM 28813 OH2 TIP3 7607 -3.962 23.663 9.101 0.00 0.00 SOLV ATOM 28814 H1 TIP3 7607 -4.944 23.705 9.276 0.00 0.00 SOLV ATOM 28815 H2 TIP3 7607 -3.568 23.121 9.865 0.00 0.00 SOLV ATOM 28816 OH2 TIP3 7608 4.169 21.136 14.428 0.00 0.00 SOLV ATOM 28817 H1 TIP3 7608 5.074 21.011 14.389 0.00 0.00 SOLV ATOM 28818 H2 TIP3 7608 3.807 20.231 14.408 0.00 0.00 SOLV ATOM 28819 OH2 TIP3 7609 -0.767 20.042 41.746 0.00 0.00 SOLV ATOM 28820 H1 TIP3 7609 -0.791 20.387 42.628 0.00 0.00 SOLV ATOM 28821 H2 TIP3 7609 0.034 20.371 41.424 0.00 0.00 SOLV ATOM 28822 OH2 TIP3 7610 -4.315 23.355 17.177 0.00 0.00 SOLV ATOM 28823 H1 TIP3 7610 -5.136 23.838 17.203 0.00 0.00 SOLV ATOM 28824 H2 TIP3 7610 -3.660 24.005 17.385 0.00 0.00 SOLV ATOM 28825 OH2 TIP3 7611 -2.333 19.358 26.043 0.00 0.00 SOLV ATOM 28826 H1 TIP3 7611 -2.939 19.914 25.486 0.00 0.00 SOLV ATOM 28827 H2 TIP3 7611 -2.776 19.377 26.918 0.00 0.00 SOLV ATOM 28828 OH2 TIP3 7612 -2.943 20.533 31.065 0.00 0.00 SOLV ATOM 28829 H1 TIP3 7612 -3.826 20.198 30.749 0.00 0.00 SOLV ATOM 28830 H2 TIP3 7612 -2.511 19.781 31.579 0.00 0.00 SOLV ATOM 28831 OH2 TIP3 7613 14.827 24.107 15.224 0.00 0.00 SOLV ATOM 28832 H1 TIP3 7613 14.856 24.816 15.892 0.00 0.00 SOLV ATOM 28833 H2 TIP3 7613 15.193 23.385 15.720 0.00 0.00 SOLV ATOM 28834 OH2 TIP3 7614 15.071 18.338 24.571 0.00 0.00 SOLV ATOM 28835 H1 TIP3 7614 15.442 17.622 25.181 0.00 0.00 SOLV ATOM 28836 H2 TIP3 7614 14.441 17.837 24.023 0.00 0.00 SOLV ATOM 28837 OH2 TIP3 7615 7.979 5.007 -2.719 0.00 0.00 SOLV ATOM 28838 H1 TIP3 7615 8.344 5.256 -1.864 0.00 0.00 SOLV ATOM 28839 H2 TIP3 7615 7.927 4.034 -2.705 0.00 0.00 SOLV ATOM 28840 OH2 TIP3 7616 9.298 22.092 33.736 0.00 0.00 SOLV ATOM 28841 H1 TIP3 7616 8.865 21.477 34.313 0.00 0.00 SOLV ATOM 28842 H2 TIP3 7616 8.570 22.747 33.583 0.00 0.00 SOLV ATOM 28843 OH2 TIP3 7617 3.719 19.662 43.977 0.00 0.00 SOLV ATOM 28844 H1 TIP3 7617 3.459 19.425 44.876 0.00 0.00 SOLV ATOM 28845 H2 TIP3 7617 4.661 19.830 44.021 0.00 0.00 SOLV ATOM 28846 OH2 TIP3 7618 15.780 21.108 31.917 0.00 0.00 SOLV ATOM 28847 H1 TIP3 7618 15.984 20.829 32.792 0.00 0.00 SOLV ATOM 28848 H2 TIP3 7618 14.821 21.180 32.105 0.00 0.00 SOLV ATOM 28849 OH2 TIP3 7619 -15.396 15.005 20.968 0.00 0.00 SOLV ATOM 28850 H1 TIP3 7619 -16.276 14.855 21.258 0.00 0.00 SOLV ATOM 28851 H2 TIP3 7619 -14.929 14.166 21.120 0.00 0.00 SOLV ATOM 28852 OH2 TIP3 7620 4.576 25.753 13.363 0.00 0.00 SOLV ATOM 28853 H1 TIP3 7620 4.461 26.695 13.441 0.00 0.00 SOLV ATOM 28854 H2 TIP3 7620 3.983 25.416 14.036 0.00 0.00 SOLV ATOM 28855 OH2 TIP3 7621 14.804 22.678 24.271 0.00 0.00 SOLV ATOM 28856 H1 TIP3 7621 15.115 22.339 23.469 0.00 0.00 SOLV ATOM 28857 H2 TIP3 7621 13.875 22.449 24.251 0.00 0.00 SOLV ATOM 28858 OH2 TIP3 7622 8.370 22.016 14.047 0.00 0.00 SOLV ATOM 28859 H1 TIP3 7622 8.115 22.878 14.373 0.00 0.00 SOLV ATOM 28860 H2 TIP3 7622 9.011 22.198 13.320 0.00 0.00 SOLV ATOM 28861 OH2 TIP3 7623 14.187 20.963 35.572 0.00 0.00 SOLV ATOM 28862 H1 TIP3 7623 13.340 21.399 35.653 0.00 0.00 SOLV ATOM 28863 H2 TIP3 7623 14.622 21.295 36.432 0.00 0.00 SOLV ATOM 28864 OH2 TIP3 7624 17.747 26.664 11.919 0.00 0.00 SOLV ATOM 28865 H1 TIP3 7624 18.700 26.545 11.835 0.00 0.00 SOLV ATOM 28866 H2 TIP3 7624 17.503 26.144 11.156 0.00 0.00 SOLV ATOM 28867 OH2 TIP3 7625 6.666 17.795 12.503 0.00 0.00 SOLV ATOM 28868 H1 TIP3 7625 5.801 17.361 12.418 0.00 0.00 SOLV ATOM 28869 H2 TIP3 7625 6.618 18.302 13.341 0.00 0.00 SOLV ATOM 28870 OH2 TIP3 7626 10.293 18.281 33.483 0.00 0.00 SOLV ATOM 28871 H1 TIP3 7626 10.853 18.634 34.176 0.00 0.00 SOLV ATOM 28872 H2 TIP3 7626 10.246 17.328 33.724 0.00 0.00 SOLV ATOM 28873 OH2 TIP3 7627 6.531 20.321 10.587 0.00 0.00 SOLV ATOM 28874 H1 TIP3 7627 6.663 19.463 11.089 0.00 0.00 SOLV ATOM 28875 H2 TIP3 7627 7.469 20.703 10.491 0.00 0.00 SOLV ATOM 28876 OH2 TIP3 7628 11.240 17.957 25.157 0.00 0.00 SOLV ATOM 28877 H1 TIP3 7628 11.588 17.503 25.919 0.00 0.00 SOLV ATOM 28878 H2 TIP3 7628 10.613 18.549 25.570 0.00 0.00 SOLV ATOM 28879 OH2 TIP3 7629 3.741 28.374 13.475 0.00 0.00 SOLV ATOM 28880 H1 TIP3 7629 4.029 28.900 12.700 0.00 0.00 SOLV ATOM 28881 H2 TIP3 7629 3.135 29.019 13.829 0.00 0.00 SOLV ATOM 28882 OH2 TIP3 7630 -13.088 27.392 11.491 0.00 0.00 SOLV ATOM 28883 H1 TIP3 7630 -14.030 27.109 11.495 0.00 0.00 SOLV ATOM 28884 H2 TIP3 7630 -13.214 28.361 11.355 0.00 0.00 SOLV ATOM 28885 OH2 TIP3 7631 0.651 29.934 12.661 0.00 0.00 SOLV ATOM 28886 H1 TIP3 7631 1.249 30.288 13.411 0.00 0.00 SOLV ATOM 28887 H2 TIP3 7631 0.180 29.168 12.981 0.00 0.00 SOLV ATOM 28888 OH2 TIP3 7632 11.696 20.888 -1.049 0.00 0.00 SOLV ATOM 28889 H1 TIP3 7632 11.446 21.454 -0.311 0.00 0.00 SOLV ATOM 28890 H2 TIP3 7632 12.090 21.492 -1.693 0.00 0.00 SOLV ATOM 28891 OH2 TIP3 7633 -1.101 21.386 29.087 0.00 0.00 SOLV ATOM 28892 H1 TIP3 7633 -1.705 20.848 29.552 0.00 0.00 SOLV ATOM 28893 H2 TIP3 7633 -0.734 21.914 29.788 0.00 0.00 SOLV ATOM 28894 OH2 TIP3 7634 0.154 20.254 24.098 0.00 0.00 SOLV ATOM 28895 H1 TIP3 7634 0.131 20.989 24.644 0.00 0.00 SOLV ATOM 28896 H2 TIP3 7634 0.703 19.568 24.582 0.00 0.00 SOLV ATOM 28897 OH2 TIP3 7635 14.602 24.965 25.834 0.00 0.00 SOLV ATOM 28898 H1 TIP3 7635 14.304 25.697 25.269 0.00 0.00 SOLV ATOM 28899 H2 TIP3 7635 14.802 24.351 25.110 0.00 0.00 SOLV ATOM 28900 OH2 TIP3 7636 11.285 25.770 26.277 0.00 0.00 SOLV ATOM 28901 H1 TIP3 7636 11.603 26.125 27.128 0.00 0.00 SOLV ATOM 28902 H2 TIP3 7636 11.272 24.783 26.408 0.00 0.00 SOLV ATOM 28903 OH2 TIP3 7637 1.457 20.788 19.907 0.00 0.00 SOLV ATOM 28904 H1 TIP3 7637 1.139 21.726 19.875 0.00 0.00 SOLV ATOM 28905 H2 TIP3 7637 2.209 20.864 20.537 0.00 0.00 SOLV ATOM 28906 OH2 TIP3 7638 3.644 26.128 10.603 0.00 0.00 SOLV ATOM 28907 H1 TIP3 7638 4.123 26.117 11.473 0.00 0.00 SOLV ATOM 28908 H2 TIP3 7638 3.788 25.168 10.276 0.00 0.00 SOLV ATOM 28909 OH2 TIP3 7639 5.092 19.080 18.447 0.00 0.00 SOLV ATOM 28910 H1 TIP3 7639 5.917 19.163 17.885 0.00 0.00 SOLV ATOM 28911 H2 TIP3 7639 5.424 18.487 19.173 0.00 0.00 SOLV ATOM 28912 OH2 TIP3 7640 -4.312 20.691 24.677 0.00 0.00 SOLV ATOM 28913 H1 TIP3 7640 -4.107 20.550 23.766 0.00 0.00 SOLV ATOM 28914 H2 TIP3 7640 -5.076 20.153 24.864 0.00 0.00 SOLV ATOM 28915 OH2 TIP3 7641 3.914 18.109 32.124 0.00 0.00 SOLV ATOM 28916 H1 TIP3 7641 3.123 17.672 31.736 0.00 0.00 SOLV ATOM 28917 H2 TIP3 7641 4.583 17.398 32.132 0.00 0.00 SOLV ATOM 28918 OH2 TIP3 7642 14.238 -10.373 -11.884 0.00 0.00 SOLV ATOM 28919 H1 TIP3 7642 13.288 -10.160 -11.654 0.00 0.00 SOLV ATOM 28920 H2 TIP3 7642 14.492 -10.899 -11.144 0.00 0.00 SOLV ATOM 28921 OH2 TIP3 7643 13.255 19.197 22.136 0.00 0.00 SOLV ATOM 28922 H1 TIP3 7643 13.730 20.006 22.100 0.00 0.00 SOLV ATOM 28923 H2 TIP3 7643 12.510 19.344 22.701 0.00 0.00 SOLV ATOM 28924 OH2 TIP3 7644 5.738 17.936 20.864 0.00 0.00 SOLV ATOM 28925 H1 TIP3 7644 5.831 18.345 21.712 0.00 0.00 SOLV ATOM 28926 H2 TIP3 7644 5.321 17.146 21.112 0.00 0.00 SOLV ATOM 28927 OH2 TIP3 7645 21.409 4.861 16.289 0.00 0.00 SOLV ATOM 28928 H1 TIP3 7645 22.106 4.251 16.025 0.00 0.00 SOLV ATOM 28929 H2 TIP3 7645 20.868 4.373 16.934 0.00 0.00 SOLV ATOM 28930 OH2 TIP3 7646 14.662 23.760 9.774 0.00 0.00 SOLV ATOM 28931 H1 TIP3 7646 14.738 24.188 8.913 0.00 0.00 SOLV ATOM 28932 H2 TIP3 7646 15.084 22.931 9.537 0.00 0.00 SOLV ATOM 28933 OH2 TIP3 7647 11.903 21.864 24.818 0.00 0.00 SOLV ATOM 28934 H1 TIP3 7647 11.620 21.531 23.936 0.00 0.00 SOLV ATOM 28935 H2 TIP3 7647 11.118 21.833 25.372 0.00 0.00 SOLV ATOM 28936 OH2 TIP3 7648 19.255 21.645 12.268 0.00 0.00 SOLV ATOM 28937 H1 TIP3 7648 18.954 22.262 11.552 0.00 0.00 SOLV ATOM 28938 H2 TIP3 7648 19.116 22.224 13.087 0.00 0.00 SOLV ATOM 28939 OH2 TIP3 7649 10.057 18.602 15.038 0.00 0.00 SOLV ATOM 28940 H1 TIP3 7649 9.640 18.164 15.870 0.00 0.00 SOLV ATOM 28941 H2 TIP3 7649 10.206 19.531 15.295 0.00 0.00 SOLV ATOM 28942 OH2 TIP3 7650 6.427 17.399 30.186 0.00 0.00 SOLV ATOM 28943 H1 TIP3 7650 6.844 18.262 30.421 0.00 0.00 SOLV ATOM 28944 H2 TIP3 7650 6.990 16.818 30.656 0.00 0.00 SOLV ATOM 28945 OH2 TIP3 7651 6.525 23.194 33.756 0.00 0.00 SOLV ATOM 28946 H1 TIP3 7651 5.910 22.620 33.276 0.00 0.00 SOLV ATOM 28947 H2 TIP3 7651 6.020 24.069 33.902 0.00 0.00 SOLV ATOM 28948 OH2 TIP3 7652 -1.930 29.099 -7.018 0.00 0.00 SOLV ATOM 28949 H1 TIP3 7652 -1.834 28.484 -6.292 0.00 0.00 SOLV ATOM 28950 H2 TIP3 7652 -2.368 29.854 -6.634 0.00 0.00 SOLV ATOM 28951 OH2 TIP3 7653 14.747 25.740 17.380 0.00 0.00 SOLV ATOM 28952 H1 TIP3 7653 15.479 26.045 17.958 0.00 0.00 SOLV ATOM 28953 H2 TIP3 7653 14.274 26.608 17.185 0.00 0.00 SOLV ATOM 28954 OH2 TIP3 7654 11.985 19.087 35.394 0.00 0.00 SOLV ATOM 28955 H1 TIP3 7654 12.506 18.413 35.885 0.00 0.00 SOLV ATOM 28956 H2 TIP3 7654 12.548 19.898 35.492 0.00 0.00 SOLV ATOM 28957 OH2 TIP3 7655 0.995 20.010 32.707 0.00 0.00 SOLV ATOM 28958 H1 TIP3 7655 0.587 20.617 33.338 0.00 0.00 SOLV ATOM 28959 H2 TIP3 7655 1.896 20.323 32.501 0.00 0.00 SOLV ATOM 28960 OH2 TIP3 7656 18.058 20.933 21.636 0.00 0.00 SOLV ATOM 28961 H1 TIP3 7656 18.203 20.009 21.645 0.00 0.00 SOLV ATOM 28962 H2 TIP3 7656 18.716 21.353 22.220 0.00 0.00 SOLV ATOM 28963 OH2 TIP3 7657 -3.185 22.994 21.375 0.00 0.00 SOLV ATOM 28964 H1 TIP3 7657 -4.025 23.522 21.319 0.00 0.00 SOLV ATOM 28965 H2 TIP3 7657 -2.477 23.557 21.492 0.00 0.00 SOLV ATOM 28966 OH2 TIP3 7658 2.297 18.420 18.245 0.00 0.00 SOLV ATOM 28967 H1 TIP3 7658 1.862 19.193 18.747 0.00 0.00 SOLV ATOM 28968 H2 TIP3 7658 3.274 18.613 18.497 0.00 0.00 SOLV ATOM 28969 OH2 TIP3 7659 19.029 22.456 24.134 0.00 0.00 SOLV ATOM 28970 H1 TIP3 7659 19.127 22.183 25.047 0.00 0.00 SOLV ATOM 28971 H2 TIP3 7659 18.859 23.392 24.223 0.00 0.00 SOLV ATOM 28972 OH2 TIP3 7660 0.949 18.607 30.207 0.00 0.00 SOLV ATOM 28973 H1 TIP3 7660 1.607 19.200 29.854 0.00 0.00 SOLV ATOM 28974 H2 TIP3 7660 0.900 18.858 31.126 0.00 0.00 SOLV ATOM 28975 OH2 TIP3 7661 14.776 25.319 12.087 0.00 0.00 SOLV ATOM 28976 H1 TIP3 7661 15.514 24.802 12.552 0.00 0.00 SOLV ATOM 28977 H2 TIP3 7661 14.825 24.987 11.157 0.00 0.00 SOLV ATOM 28978 OH2 TIP3 7662 1.675 20.004 39.488 0.00 0.00 SOLV ATOM 28979 H1 TIP3 7662 2.317 19.588 40.040 0.00 0.00 SOLV ATOM 28980 H2 TIP3 7662 1.791 19.482 38.695 0.00 0.00 SOLV ATOM 28981 OH2 TIP3 7663 10.054 25.464 14.028 0.00 0.00 SOLV ATOM 28982 H1 TIP3 7663 9.530 26.273 13.829 0.00 0.00 SOLV ATOM 28983 H2 TIP3 7663 9.386 24.912 14.436 0.00 0.00 SOLV ATOM 28984 OH2 TIP3 7664 -0.825 31.476 7.835 0.00 0.00 SOLV ATOM 28985 H1 TIP3 7664 -1.750 31.643 8.042 0.00 0.00 SOLV ATOM 28986 H2 TIP3 7664 -0.396 31.883 8.567 0.00 0.00 SOLV ATOM 28987 OH2 TIP3 7665 19.331 24.127 13.338 0.00 0.00 SOLV ATOM 28988 H1 TIP3 7665 19.840 24.456 12.586 0.00 0.00 SOLV ATOM 28989 H2 TIP3 7665 19.425 24.792 14.047 0.00 0.00 SOLV ATOM 28990 OH2 TIP3 7666 -1.605 16.955 29.319 0.00 0.00 SOLV ATOM 28991 H1 TIP3 7666 -0.664 17.304 29.232 0.00 0.00 SOLV ATOM 28992 H2 TIP3 7666 -1.850 16.767 28.395 0.00 0.00 SOLV ATOM 28993 OH2 TIP3 7667 12.007 18.186 28.131 0.00 0.00 SOLV ATOM 28994 H1 TIP3 7667 11.412 18.653 28.747 0.00 0.00 SOLV ATOM 28995 H2 TIP3 7667 12.849 18.615 28.324 0.00 0.00 SOLV ATOM 28996 OH2 TIP3 7668 15.817 21.783 16.506 0.00 0.00 SOLV ATOM 28997 H1 TIP3 7668 16.078 22.052 17.418 0.00 0.00 SOLV ATOM 28998 H2 TIP3 7668 14.959 21.322 16.631 0.00 0.00 SOLV ATOM 28999 OH2 TIP3 7669 20.160 22.628 8.731 0.00 0.00 SOLV ATOM 29000 H1 TIP3 7669 19.624 23.012 8.022 0.00 0.00 SOLV ATOM 29001 H2 TIP3 7669 19.550 22.684 9.484 0.00 0.00 SOLV ATOM 29002 OH2 TIP3 7670 -4.363 20.381 20.593 0.00 0.00 SOLV ATOM 29003 H1 TIP3 7670 -3.918 21.170 20.965 0.00 0.00 SOLV ATOM 29004 H2 TIP3 7670 -3.877 20.331 19.703 0.00 0.00 SOLV ATOM 29005 OH2 TIP3 7671 9.972 20.436 10.139 0.00 0.00 SOLV ATOM 29006 H1 TIP3 7671 10.149 19.796 10.797 0.00 0.00 SOLV ATOM 29007 H2 TIP3 7671 10.822 20.908 10.142 0.00 0.00 SOLV ATOM 29008 OH2 TIP3 7672 16.855 25.975 9.429 0.00 0.00 SOLV ATOM 29009 H1 TIP3 7672 16.396 25.530 8.744 0.00 0.00 SOLV ATOM 29010 H2 TIP3 7672 16.456 26.867 9.248 0.00 0.00 SOLV ATOM 29011 OH2 TIP3 7673 15.514 19.785 14.429 0.00 0.00 SOLV ATOM 29012 H1 TIP3 7673 16.199 19.319 13.965 0.00 0.00 SOLV ATOM 29013 H2 TIP3 7673 15.980 20.340 15.072 0.00 0.00 SOLV ATOM 29014 OH2 TIP3 7674 1.195 16.760 26.468 0.00 0.00 SOLV ATOM 29015 H1 TIP3 7674 0.831 16.734 25.555 0.00 0.00 SOLV ATOM 29016 H2 TIP3 7674 1.989 17.345 26.372 0.00 0.00 SOLV ATOM 29017 OH2 TIP3 7675 22.395 24.481 12.664 0.00 0.00 SOLV ATOM 29018 H1 TIP3 7675 22.932 25.279 12.446 0.00 0.00 SOLV ATOM 29019 H2 TIP3 7675 22.440 23.892 11.866 0.00 0.00 SOLV ATOM 29020 OH2 TIP3 7676 7.054 19.642 14.242 0.00 0.00 SOLV ATOM 29021 H1 TIP3 7676 7.373 20.573 14.101 0.00 0.00 SOLV ATOM 29022 H2 TIP3 7676 7.381 19.380 15.079 0.00 0.00 SOLV ATOM 29023 OH2 TIP3 7677 22.403 23.191 10.095 0.00 0.00 SOLV ATOM 29024 H1 TIP3 7677 21.549 22.892 9.816 0.00 0.00 SOLV ATOM 29025 H2 TIP3 7677 22.938 23.037 9.296 0.00 0.00 SOLV ATOM 29026 OH2 TIP3 7678 -7.524 21.260 16.281 0.00 0.00 SOLV ATOM 29027 H1 TIP3 7678 -7.104 21.080 17.094 0.00 0.00 SOLV ATOM 29028 H2 TIP3 7678 -7.771 20.345 16.090 0.00 0.00 SOLV ATOM 29029 OH2 TIP3 7679 6.795 19.088 26.444 0.00 0.00 SOLV ATOM 29030 H1 TIP3 7679 6.192 18.433 26.881 0.00 0.00 SOLV ATOM 29031 H2 TIP3 7679 6.303 19.898 26.322 0.00 0.00 SOLV ATOM 29032 OH2 TIP3 7680 7.287 19.905 30.918 0.00 0.00 SOLV ATOM 29033 H1 TIP3 7680 7.775 20.680 30.685 0.00 0.00 SOLV ATOM 29034 H2 TIP3 7680 6.387 20.210 30.820 0.00 0.00 SOLV ATOM 29035 OH2 TIP3 7681 19.657 23.731 19.936 0.00 0.00 SOLV ATOM 29036 H1 TIP3 7681 19.649 24.399 19.180 0.00 0.00 SOLV ATOM 29037 H2 TIP3 7681 20.503 23.311 19.923 0.00 0.00 SOLV ATOM 29038 OH2 TIP3 7682 14.811 24.650 21.284 0.00 0.00 SOLV ATOM 29039 H1 TIP3 7682 15.644 24.151 21.236 0.00 0.00 SOLV ATOM 29040 H2 TIP3 7682 14.172 24.108 20.886 0.00 0.00 SOLV ATOM 29041 OH2 TIP3 7683 17.005 22.559 26.566 0.00 0.00 SOLV ATOM 29042 H1 TIP3 7683 16.435 22.538 25.781 0.00 0.00 SOLV ATOM 29043 H2 TIP3 7683 17.254 21.645 26.805 0.00 0.00 SOLV ATOM 29044 OH2 TIP3 7684 14.088 16.464 29.651 0.00 0.00 SOLV ATOM 29045 H1 TIP3 7684 14.547 15.716 30.078 0.00 0.00 SOLV ATOM 29046 H2 TIP3 7684 13.147 16.212 29.875 0.00 0.00 SOLV ATOM 29047 OH2 TIP3 7685 8.124 22.972 10.028 0.00 0.00 SOLV ATOM 29048 H1 TIP3 7685 8.762 23.057 10.703 0.00 0.00 SOLV ATOM 29049 H2 TIP3 7685 8.436 22.240 9.456 0.00 0.00 SOLV ATOM 29050 OH2 TIP3 7686 18.885 19.830 19.106 0.00 0.00 SOLV ATOM 29051 H1 TIP3 7686 19.298 20.076 18.245 0.00 0.00 SOLV ATOM 29052 H2 TIP3 7686 19.592 19.833 19.776 0.00 0.00 SOLV ATOM 29053 OH2 TIP3 7687 10.552 18.178 43.294 0.00 0.00 SOLV ATOM 29054 H1 TIP3 7687 9.631 18.056 43.024 0.00 0.00 SOLV ATOM 29055 H2 TIP3 7687 11.041 17.656 42.671 0.00 0.00 SOLV ATOM 29056 OH2 TIP3 7688 12.370 21.885 32.953 0.00 0.00 SOLV ATOM 29057 H1 TIP3 7688 12.350 20.928 32.685 0.00 0.00 SOLV ATOM 29058 H2 TIP3 7688 11.553 22.122 33.476 0.00 0.00 SOLV ATOM 29059 OH2 TIP3 7689 12.540 21.667 10.622 0.00 0.00 SOLV ATOM 29060 H1 TIP3 7689 13.203 21.248 11.170 0.00 0.00 SOLV ATOM 29061 H2 TIP3 7689 12.948 22.580 10.446 0.00 0.00 SOLV ATOM 29062 OH2 TIP3 7690 17.373 19.681 24.644 0.00 0.00 SOLV ATOM 29063 H1 TIP3 7690 17.344 20.383 24.031 0.00 0.00 SOLV ATOM 29064 H2 TIP3 7690 16.482 19.236 24.463 0.00 0.00 SOLV ATOM 29065 OH2 TIP3 7691 18.900 28.323 17.530 0.00 0.00 SOLV ATOM 29066 H1 TIP3 7691 18.495 28.956 16.911 0.00 0.00 SOLV ATOM 29067 H2 TIP3 7691 18.837 28.756 18.383 0.00 0.00 SOLV ATOM 29068 OH2 TIP3 7692 15.015 16.483 26.863 0.00 0.00 SOLV ATOM 29069 H1 TIP3 7692 15.887 16.349 27.326 0.00 0.00 SOLV ATOM 29070 H2 TIP3 7692 14.395 16.774 27.556 0.00 0.00 SOLV ATOM 29071 OH2 TIP3 7693 17.391 28.139 14.607 0.00 0.00 SOLV ATOM 29072 H1 TIP3 7693 17.366 27.648 13.774 0.00 0.00 SOLV ATOM 29073 H2 TIP3 7693 16.432 28.212 14.704 0.00 0.00 SOLV ATOM 29074 OH2 TIP3 7694 15.870 21.290 9.294 0.00 0.00 SOLV ATOM 29075 H1 TIP3 7694 16.525 20.667 8.892 0.00 0.00 SOLV ATOM 29076 H2 TIP3 7694 15.416 20.726 9.949 0.00 0.00 SOLV ATOM 29077 OH2 TIP3 7695 13.074 19.223 31.937 0.00 0.00 SOLV ATOM 29078 H1 TIP3 7695 12.241 18.950 31.408 0.00 0.00 SOLV ATOM 29079 H2 TIP3 7695 12.883 18.818 32.852 0.00 0.00 SOLV ATOM 29080 OH2 TIP3 7696 5.796 -11.936 42.979 0.00 0.00 SOLV ATOM 29081 H1 TIP3 7696 5.602 -11.691 43.905 0.00 0.00 SOLV ATOM 29082 H2 TIP3 7696 5.927 -11.075 42.539 0.00 0.00 SOLV ATOM 29083 OH2 TIP3 7697 9.105 22.261 29.804 0.00 0.00 SOLV ATOM 29084 H1 TIP3 7697 8.459 22.969 29.666 0.00 0.00 SOLV ATOM 29085 H2 TIP3 7697 9.750 22.651 30.365 0.00 0.00 SOLV ATOM 29086 OH2 TIP3 7698 -1.860 16.968 36.647 0.00 0.00 SOLV ATOM 29087 H1 TIP3 7698 -2.361 16.478 35.946 0.00 0.00 SOLV ATOM 29088 H2 TIP3 7698 -1.182 17.517 36.189 0.00 0.00 SOLV ATOM 29089 OH2 TIP3 7699 3.649 23.550 24.655 0.00 0.00 SOLV ATOM 29090 H1 TIP3 7699 3.516 24.513 24.847 0.00 0.00 SOLV ATOM 29091 H2 TIP3 7699 3.818 23.523 23.652 0.00 0.00 SOLV ATOM 29092 OH2 TIP3 7700 4.806 20.722 30.167 0.00 0.00 SOLV ATOM 29093 H1 TIP3 7700 5.349 21.555 29.944 0.00 0.00 SOLV ATOM 29094 H2 TIP3 7700 4.042 20.733 29.510 0.00 0.00 SOLV ATOM 29095 OH2 TIP3 7701 9.561 17.474 37.153 0.00 0.00 SOLV ATOM 29096 H1 TIP3 7701 9.236 16.706 37.729 0.00 0.00 SOLV ATOM 29097 H2 TIP3 7701 10.338 17.073 36.763 0.00 0.00 SOLV ATOM 29098 OH2 TIP3 7702 15.929 18.845 35.647 0.00 0.00 SOLV ATOM 29099 H1 TIP3 7702 15.385 18.428 36.368 0.00 0.00 SOLV ATOM 29100 H2 TIP3 7702 15.362 19.616 35.396 0.00 0.00 SOLV ATOM 29101 OH2 TIP3 7703 19.919 18.324 34.485 0.00 0.00 SOLV ATOM 29102 H1 TIP3 7703 19.517 17.422 34.452 0.00 0.00 SOLV ATOM 29103 H2 TIP3 7703 20.213 18.308 35.398 0.00 0.00 SOLV ATOM 29104 OH2 TIP3 7704 15.085 17.742 10.752 0.00 0.00 SOLV ATOM 29105 H1 TIP3 7704 14.928 17.062 11.447 0.00 0.00 SOLV ATOM 29106 H2 TIP3 7704 14.232 17.873 10.344 0.00 0.00 SOLV ATOM 29107 OH2 TIP3 7705 13.045 19.135 8.122 0.00 0.00 SOLV ATOM 29108 H1 TIP3 7705 12.463 18.434 7.669 0.00 0.00 SOLV ATOM 29109 H2 TIP3 7705 13.899 18.663 8.219 0.00 0.00 SOLV ATOM 29110 OH2 TIP3 7706 14.404 27.407 13.728 0.00 0.00 SOLV ATOM 29111 H1 TIP3 7706 14.731 26.782 14.449 0.00 0.00 SOLV ATOM 29112 H2 TIP3 7706 14.469 26.810 12.990 0.00 0.00 SOLV ATOM 29113 OH2 TIP3 7707 16.029 18.914 18.395 0.00 0.00 SOLV ATOM 29114 H1 TIP3 7707 16.776 19.486 18.577 0.00 0.00 SOLV ATOM 29115 H2 TIP3 7707 15.858 18.474 19.235 0.00 0.00 SOLV ATOM 29116 OH2 TIP3 7708 5.900 22.960 22.233 0.00 0.00 SOLV ATOM 29117 H1 TIP3 7708 6.358 23.716 21.839 0.00 0.00 SOLV ATOM 29118 H2 TIP3 7708 6.650 22.276 22.406 0.00 0.00 SOLV ATOM 29119 OH2 TIP3 7709 18.787 25.365 24.374 0.00 0.00 SOLV ATOM 29120 H1 TIP3 7709 19.560 26.003 24.399 0.00 0.00 SOLV ATOM 29121 H2 TIP3 7709 17.984 26.005 24.458 0.00 0.00 SOLV ATOM 29122 OH2 TIP3 7710 19.848 18.719 25.177 0.00 0.00 SOLV ATOM 29123 H1 TIP3 7710 19.057 18.920 24.671 0.00 0.00 SOLV ATOM 29124 H2 TIP3 7710 19.764 19.379 25.837 0.00 0.00 SOLV ATOM 29125 OH2 TIP3 7711 12.566 21.839 15.810 0.00 0.00 SOLV ATOM 29126 H1 TIP3 7711 12.856 21.144 16.377 0.00 0.00 SOLV ATOM 29127 H2 TIP3 7711 12.279 21.337 15.031 0.00 0.00 SOLV ATOM 29128 OH2 TIP3 7712 21.225 20.430 20.239 0.00 0.00 SOLV ATOM 29129 H1 TIP3 7712 21.910 20.010 20.697 0.00 0.00 SOLV ATOM 29130 H2 TIP3 7712 21.709 20.890 19.517 0.00 0.00 SOLV ATOM 29131 OH2 TIP3 7713 13.046 21.637 29.371 0.00 0.00 SOLV ATOM 29132 H1 TIP3 7713 13.265 21.212 28.552 0.00 0.00 SOLV ATOM 29133 H2 TIP3 7713 13.325 21.038 30.045 0.00 0.00 SOLV ATOM 29134 OH2 TIP3 7714 4.797 22.247 37.149 0.00 0.00 SOLV ATOM 29135 H1 TIP3 7714 5.131 21.926 36.299 0.00 0.00 SOLV ATOM 29136 H2 TIP3 7714 4.377 23.087 37.000 0.00 0.00 SOLV ATOM 29137 OH2 TIP3 7715 18.170 20.716 15.483 0.00 0.00 SOLV ATOM 29138 H1 TIP3 7715 18.891 21.253 15.904 0.00 0.00 SOLV ATOM 29139 H2 TIP3 7715 17.362 21.080 15.839 0.00 0.00 SOLV ATOM 29140 OH2 TIP3 7716 7.756 24.698 21.112 0.00 0.00 SOLV ATOM 29141 H1 TIP3 7716 6.892 24.858 20.656 0.00 0.00 SOLV ATOM 29142 H2 TIP3 7716 8.200 25.594 21.152 0.00 0.00 SOLV ATOM 29143 OH2 TIP3 7717 20.058 18.453 9.300 0.00 0.00 SOLV ATOM 29144 H1 TIP3 7717 19.138 18.441 9.003 0.00 0.00 SOLV ATOM 29145 H2 TIP3 7717 19.952 18.592 10.250 0.00 0.00 SOLV ATOM 29146 OH2 TIP3 7718 -7.535 23.921 14.539 0.00 0.00 SOLV ATOM 29147 H1 TIP3 7718 -7.660 23.549 13.612 0.00 0.00 SOLV ATOM 29148 H2 TIP3 7718 -7.260 23.153 15.095 0.00 0.00 SOLV ATOM 29149 OH2 TIP3 7719 2.680 26.364 8.047 0.00 0.00 SOLV ATOM 29150 H1 TIP3 7719 2.177 25.650 7.739 0.00 0.00 SOLV ATOM 29151 H2 TIP3 7719 2.964 25.996 8.936 0.00 0.00 SOLV ATOM 29152 OH2 TIP3 7720 23.533 17.369 11.185 0.00 0.00 SOLV ATOM 29153 H1 TIP3 7720 22.990 18.045 11.680 0.00 0.00 SOLV ATOM 29154 H2 TIP3 7720 24.418 17.501 11.633 0.00 0.00 SOLV ATOM 29155 OH2 TIP3 7721 7.122 25.256 24.517 0.00 0.00 SOLV ATOM 29156 H1 TIP3 7721 7.791 25.677 23.989 0.00 0.00 SOLV ATOM 29157 H2 TIP3 7721 6.355 25.247 23.993 0.00 0.00 SOLV ATOM 29158 OH2 TIP3 7722 10.287 22.366 27.098 0.00 0.00 SOLV ATOM 29159 H1 TIP3 7722 10.300 21.358 27.010 0.00 0.00 SOLV ATOM 29160 H2 TIP3 7722 10.095 22.532 28.024 0.00 0.00 SOLV ATOM 29161 OH2 TIP3 7723 -3.000 20.932 35.105 0.00 0.00 SOLV ATOM 29162 H1 TIP3 7723 -3.395 20.052 34.842 0.00 0.00 SOLV ATOM 29163 H2 TIP3 7723 -3.819 21.421 35.319 0.00 0.00 SOLV ATOM 29164 OH2 TIP3 7724 14.283 18.086 37.724 0.00 0.00 SOLV ATOM 29165 H1 TIP3 7724 14.076 17.212 38.078 0.00 0.00 SOLV ATOM 29166 H2 TIP3 7724 13.822 18.653 38.392 0.00 0.00 SOLV ATOM 29167 OH2 TIP3 7725 23.374 22.042 26.017 0.00 0.00 SOLV ATOM 29168 H1 TIP3 7725 23.468 22.307 26.913 0.00 0.00 SOLV ATOM 29169 H2 TIP3 7725 23.428 22.920 25.673 0.00 0.00 SOLV ATOM 29170 OH2 TIP3 7726 20.987 19.413 15.182 0.00 0.00 SOLV ATOM 29171 H1 TIP3 7726 20.749 18.787 15.881 0.00 0.00 SOLV ATOM 29172 H2 TIP3 7726 20.317 20.056 15.197 0.00 0.00 SOLV ATOM 29173 OH2 TIP3 7727 17.920 23.371 10.177 0.00 0.00 SOLV ATOM 29174 H1 TIP3 7727 17.328 22.755 9.667 0.00 0.00 SOLV ATOM 29175 H2 TIP3 7727 17.389 24.128 10.380 0.00 0.00 SOLV ATOM 29176 OH2 TIP3 7728 10.123 22.797 12.170 0.00 0.00 SOLV ATOM 29177 H1 TIP3 7728 10.415 23.672 12.452 0.00 0.00 SOLV ATOM 29178 H2 TIP3 7728 10.816 22.205 12.455 0.00 0.00 SOLV ATOM 29179 OH2 TIP3 7729 11.892 24.845 18.670 0.00 0.00 SOLV ATOM 29180 H1 TIP3 7729 11.913 24.950 17.698 0.00 0.00 SOLV ATOM 29181 H2 TIP3 7729 12.776 24.807 18.872 0.00 0.00 SOLV ATOM 29182 OH2 TIP3 7730 8.111 21.016 22.877 0.00 0.00 SOLV ATOM 29183 H1 TIP3 7730 8.047 20.231 22.365 0.00 0.00 SOLV ATOM 29184 H2 TIP3 7730 9.039 21.300 22.834 0.00 0.00 SOLV ATOM 29185 OH2 TIP3 7731 -7.047 22.824 29.861 0.00 0.00 SOLV ATOM 29186 H1 TIP3 7731 -6.696 22.029 29.358 0.00 0.00 SOLV ATOM 29187 H2 TIP3 7731 -6.433 23.544 29.616 0.00 0.00 SOLV ATOM 29188 OH2 TIP3 7732 22.426 16.284 16.342 0.00 0.00 SOLV ATOM 29189 H1 TIP3 7732 22.120 16.331 17.225 0.00 0.00 SOLV ATOM 29190 H2 TIP3 7732 21.952 15.556 16.039 0.00 0.00 SOLV ATOM 29191 OH2 TIP3 7733 23.060 19.545 22.001 0.00 0.00 SOLV ATOM 29192 H1 TIP3 7733 23.800 20.258 22.010 0.00 0.00 SOLV ATOM 29193 H2 TIP3 7733 23.580 18.704 21.990 0.00 0.00 SOLV ATOM 29194 OH2 TIP3 7734 9.555 25.633 23.372 0.00 0.00 SOLV ATOM 29195 H1 TIP3 7734 10.166 25.802 24.117 0.00 0.00 SOLV ATOM 29196 H2 TIP3 7734 10.084 25.067 22.816 0.00 0.00 SOLV ATOM 29197 OH2 TIP3 7735 7.411 19.655 17.209 0.00 0.00 SOLV ATOM 29198 H1 TIP3 7735 7.908 18.788 17.247 0.00 0.00 SOLV ATOM 29199 H2 TIP3 7735 7.912 20.252 17.777 0.00 0.00 SOLV ATOM 29200 OH2 TIP3 7736 7.208 10.423 1.561 0.00 0.00 SOLV ATOM 29201 H1 TIP3 7736 7.724 9.577 1.430 0.00 0.00 SOLV ATOM 29202 H2 TIP3 7736 7.294 10.721 2.520 0.00 0.00 SOLV ATOM 29203 OH2 TIP3 7737 19.584 23.873 26.915 0.00 0.00 SOLV ATOM 29204 H1 TIP3 7737 19.946 23.022 27.152 0.00 0.00 SOLV ATOM 29205 H2 TIP3 7737 18.618 23.705 26.894 0.00 0.00 SOLV ATOM 29206 OH2 TIP3 7738 -1.315 20.867 13.583 0.00 0.00 SOLV ATOM 29207 H1 TIP3 7738 -1.620 20.792 14.501 0.00 0.00 SOLV ATOM 29208 H2 TIP3 7738 -1.228 19.988 13.287 0.00 0.00 SOLV ATOM 29209 OH2 TIP3 7739 14.769 19.245 29.766 0.00 0.00 SOLV ATOM 29210 H1 TIP3 7739 14.364 18.334 29.961 0.00 0.00 SOLV ATOM 29211 H2 TIP3 7739 14.691 19.620 30.606 0.00 0.00 SOLV ATOM 29212 OH2 TIP3 7740 13.689 20.528 26.812 0.00 0.00 SOLV ATOM 29213 H1 TIP3 7740 13.230 21.073 26.179 0.00 0.00 SOLV ATOM 29214 H2 TIP3 7740 14.215 19.945 26.229 0.00 0.00 SOLV ATOM 29215 OH2 TIP3 7741 9.124 17.511 17.370 0.00 0.00 SOLV ATOM 29216 H1 TIP3 7741 8.833 16.590 17.741 0.00 0.00 SOLV ATOM 29217 H2 TIP3 7741 9.876 17.741 17.905 0.00 0.00 SOLV ATOM 29218 OH2 TIP3 7742 23.751 18.671 17.439 0.00 0.00 SOLV ATOM 29219 H1 TIP3 7742 23.091 18.935 16.863 0.00 0.00 SOLV ATOM 29220 H2 TIP3 7742 23.575 17.774 17.728 0.00 0.00 SOLV ATOM 29221 OH2 TIP3 7743 7.462 16.434 25.419 0.00 0.00 SOLV ATOM 29222 H1 TIP3 7743 6.588 16.370 24.987 0.00 0.00 SOLV ATOM 29223 H2 TIP3 7743 7.646 17.396 25.449 0.00 0.00 SOLV ATOM 29224 OH2 TIP3 7744 22.972 21.130 14.855 0.00 0.00 SOLV ATOM 29225 H1 TIP3 7744 22.140 20.580 14.920 0.00 0.00 SOLV ATOM 29226 H2 TIP3 7744 22.631 22.031 15.136 0.00 0.00 SOLV ATOM 29227 OH2 TIP3 7745 12.292 20.272 13.492 0.00 0.00 SOLV ATOM 29228 H1 TIP3 7745 13.193 19.855 13.380 0.00 0.00 SOLV ATOM 29229 H2 TIP3 7745 11.726 19.536 13.182 0.00 0.00 SOLV ATOM 29230 OH2 TIP3 7746 17.580 24.289 21.509 0.00 0.00 SOLV ATOM 29231 H1 TIP3 7746 18.255 24.017 20.853 0.00 0.00 SOLV ATOM 29232 H2 TIP3 7746 17.942 23.918 22.306 0.00 0.00 SOLV ATOM 29233 OH2 TIP3 7747 19.570 25.629 17.758 0.00 0.00 SOLV ATOM 29234 H1 TIP3 7747 19.254 26.589 17.775 0.00 0.00 SOLV ATOM 29235 H2 TIP3 7747 19.691 25.490 16.820 0.00 0.00 SOLV ATOM 29236 OH2 TIP3 7748 -33.428 16.839 10.898 0.00 0.00 SOLV ATOM 29237 H1 TIP3 7748 -33.364 16.759 9.922 0.00 0.00 SOLV ATOM 29238 H2 TIP3 7748 -34.372 16.654 10.949 0.00 0.00 SOLV ATOM 29239 OH2 TIP3 7749 13.822 19.883 17.475 0.00 0.00 SOLV ATOM 29240 H1 TIP3 7749 14.643 19.547 17.881 0.00 0.00 SOLV ATOM 29241 H2 TIP3 7749 13.208 19.839 18.254 0.00 0.00 SOLV ATOM 29242 OH2 TIP3 7750 11.173 17.068 7.421 0.00 0.00 SOLV ATOM 29243 H1 TIP3 7750 10.786 16.495 8.142 0.00 0.00 SOLV ATOM 29244 H2 TIP3 7750 11.247 16.413 6.715 0.00 0.00 SOLV ATOM 29245 OH2 TIP3 7751 11.531 23.442 30.728 0.00 0.00 SOLV ATOM 29246 H1 TIP3 7751 11.784 22.760 31.358 0.00 0.00 SOLV ATOM 29247 H2 TIP3 7751 12.053 23.293 29.898 0.00 0.00 SOLV ATOM 29248 OH2 TIP3 7752 17.239 18.214 9.364 0.00 0.00 SOLV ATOM 29249 H1 TIP3 7752 16.385 18.087 9.904 0.00 0.00 SOLV ATOM 29250 H2 TIP3 7752 17.610 17.373 9.427 0.00 0.00 SOLV ATOM 29251 OH2 TIP3 7753 10.916 20.991 22.392 0.00 0.00 SOLV ATOM 29252 H1 TIP3 7753 10.833 21.906 22.042 0.00 0.00 SOLV ATOM 29253 H2 TIP3 7753 11.205 20.509 21.594 0.00 0.00 SOLV ATOM 29254 OH2 TIP3 7754 11.755 25.386 11.835 0.00 0.00 SOLV ATOM 29255 H1 TIP3 7754 12.664 25.316 12.121 0.00 0.00 SOLV ATOM 29256 H2 TIP3 7754 11.326 25.559 12.699 0.00 0.00 SOLV ATOM 29257 OH2 TIP3 7755 23.154 26.517 15.483 0.00 0.00 SOLV ATOM 29258 H1 TIP3 7755 23.095 27.365 15.081 0.00 0.00 SOLV ATOM 29259 H2 TIP3 7755 23.997 26.186 15.192 0.00 0.00 SOLV ATOM 29260 OH2 TIP3 7756 -24.672 17.571 13.205 0.00 0.00 SOLV ATOM 29261 H1 TIP3 7756 -23.908 16.959 13.297 0.00 0.00 SOLV ATOM 29262 H2 TIP3 7756 -25.404 17.054 13.569 0.00 0.00 SOLV ATOM 29263 OH2 TIP3 7757 15.308 21.358 21.976 0.00 0.00 SOLV ATOM 29264 H1 TIP3 7757 15.014 21.526 21.127 0.00 0.00 SOLV ATOM 29265 H2 TIP3 7757 16.264 21.136 21.885 0.00 0.00 SOLV ATOM 29266 OH2 TIP3 7758 24.063 22.091 7.919 0.00 0.00 SOLV ATOM 29267 H1 TIP3 7758 24.254 21.976 7.017 0.00 0.00 SOLV ATOM 29268 H2 TIP3 7758 23.987 21.139 8.198 0.00 0.00 SOLV ATOM 29269 OH2 TIP3 7759 22.081 24.587 25.266 0.00 0.00 SOLV ATOM 29270 H1 TIP3 7759 21.187 24.482 25.603 0.00 0.00 SOLV ATOM 29271 H2 TIP3 7759 22.024 24.363 24.344 0.00 0.00 SOLV ATOM 29272 OH2 TIP3 7760 10.458 18.998 30.516 0.00 0.00 SOLV ATOM 29273 H1 TIP3 7760 9.809 19.619 30.227 0.00 0.00 SOLV ATOM 29274 H2 TIP3 7760 9.926 18.379 30.958 0.00 0.00 SOLV ATOM 29275 OH2 TIP3 7761 18.857 27.331 21.664 0.00 0.00 SOLV ATOM 29276 H1 TIP3 7761 19.332 26.745 21.045 0.00 0.00 SOLV ATOM 29277 H2 TIP3 7761 18.688 26.816 22.421 0.00 0.00 SOLV ATOM 29278 OH2 TIP3 7762 7.600 19.690 33.764 0.00 0.00 SOLV ATOM 29279 H1 TIP3 7762 7.564 19.863 32.819 0.00 0.00 SOLV ATOM 29280 H2 TIP3 7762 8.520 19.186 33.854 0.00 0.00 SOLV ATOM 29281 OH2 TIP3 7763 -32.422 17.252 13.770 0.00 0.00 SOLV ATOM 29282 H1 TIP3 7763 -33.072 16.949 13.113 0.00 0.00 SOLV ATOM 29283 H2 TIP3 7763 -32.437 18.220 13.754 0.00 0.00 SOLV ATOM 29284 OH2 TIP3 7764 18.748 18.844 31.132 0.00 0.00 SOLV ATOM 29285 H1 TIP3 7764 19.725 18.710 31.222 0.00 0.00 SOLV ATOM 29286 H2 TIP3 7764 18.507 19.189 31.969 0.00 0.00 SOLV ATOM 29287 OH2 TIP3 7765 20.359 26.198 11.177 0.00 0.00 SOLV ATOM 29288 H1 TIP3 7765 21.071 26.810 11.431 0.00 0.00 SOLV ATOM 29289 H2 TIP3 7765 20.808 25.619 10.545 0.00 0.00 SOLV ATOM 29290 OH2 TIP3 7766 13.576 22.343 19.908 0.00 0.00 SOLV ATOM 29291 H1 TIP3 7766 13.889 22.149 19.015 0.00 0.00 SOLV ATOM 29292 H2 TIP3 7766 12.805 21.690 20.037 0.00 0.00 SOLV ATOM 29293 OH2 TIP3 7767 21.162 17.297 22.590 0.00 0.00 SOLV ATOM 29294 H1 TIP3 7767 21.711 18.092 22.407 0.00 0.00 SOLV ATOM 29295 H2 TIP3 7767 20.309 17.707 22.544 0.00 0.00 SOLV ATOM 29296 OH2 TIP3 7768 24.576 -0.899 -9.606 0.00 0.00 SOLV ATOM 29297 H1 TIP3 7768 25.593 -1.007 -9.498 0.00 0.00 SOLV ATOM 29298 H2 TIP3 7768 24.553 -1.079 -10.566 0.00 0.00 SOLV ATOM 29299 OH2 TIP3 7769 31.731 15.860 -34.666 0.00 0.00 SOLV ATOM 29300 H1 TIP3 7769 31.597 15.397 -33.831 0.00 0.00 SOLV ATOM 29301 H2 TIP3 7769 30.910 15.638 -35.199 0.00 0.00 SOLV ATOM 29302 OH2 TIP3 7770 29.445 13.711 -49.089 0.00 0.00 SOLV ATOM 29303 H1 TIP3 7770 29.739 12.800 -49.187 0.00 0.00 SOLV ATOM 29304 H2 TIP3 7770 29.864 14.117 -49.879 0.00 0.00 SOLV ATOM 29305 OH2 TIP3 7771 4.560 -2.923 -5.191 0.00 0.00 SOLV ATOM 29306 H1 TIP3 7771 5.181 -3.482 -5.614 0.00 0.00 SOLV ATOM 29307 H2 TIP3 7771 5.037 -2.550 -4.368 0.00 0.00 SOLV ATOM 29308 OH2 TIP3 7772 13.680 22.007 -30.981 0.00 0.00 SOLV ATOM 29309 H1 TIP3 7772 14.155 21.381 -31.534 0.00 0.00 SOLV ATOM 29310 H2 TIP3 7772 13.706 21.549 -30.125 0.00 0.00 SOLV ATOM 29311 OH2 TIP3 7773 27.922 7.573 -16.959 0.00 0.00 SOLV ATOM 29312 H1 TIP3 7773 27.827 8.079 -17.809 0.00 0.00 SOLV ATOM 29313 H2 TIP3 7773 28.311 8.194 -16.320 0.00 0.00 SOLV ATOM 29314 OH2 TIP3 7774 29.238 -12.142 -40.213 0.00 0.00 SOLV ATOM 29315 H1 TIP3 7774 28.566 -12.780 -40.533 0.00 0.00 SOLV ATOM 29316 H2 TIP3 7774 29.404 -12.400 -39.315 0.00 0.00 SOLV ATOM 29317 OH2 TIP3 7775 24.447 -7.140 -43.864 0.00 0.00 SOLV ATOM 29318 H1 TIP3 7775 24.339 -8.054 -44.269 0.00 0.00 SOLV ATOM 29319 H2 TIP3 7775 25.226 -7.279 -43.275 0.00 0.00 SOLV ATOM 29320 OH2 TIP3 7776 27.280 -8.022 -46.045 0.00 0.00 SOLV ATOM 29321 H1 TIP3 7776 26.788 -7.687 -45.248 0.00 0.00 SOLV ATOM 29322 H2 TIP3 7776 26.821 -7.626 -46.799 0.00 0.00 SOLV ATOM 29323 OH2 TIP3 7777 30.498 -15.644 -32.403 0.00 0.00 SOLV ATOM 29324 H1 TIP3 7777 30.903 -15.063 -31.735 0.00 0.00 SOLV ATOM 29325 H2 TIP3 7777 29.601 -15.209 -32.504 0.00 0.00 SOLV ATOM 29326 OH2 TIP3 7778 27.941 -19.306 -30.725 0.00 0.00 SOLV ATOM 29327 H1 TIP3 7778 27.399 -19.761 -29.965 0.00 0.00 SOLV ATOM 29328 H2 TIP3 7778 27.309 -18.750 -31.113 0.00 0.00 SOLV ATOM 29329 OH2 TIP3 7779 28.858 -9.694 -11.812 0.00 0.00 SOLV ATOM 29330 H1 TIP3 7779 28.252 -10.245 -11.286 0.00 0.00 SOLV ATOM 29331 H2 TIP3 7779 29.208 -10.337 -12.446 0.00 0.00 SOLV ATOM 29332 OH2 TIP3 7780 34.844 -7.004 -9.086 0.00 0.00 SOLV ATOM 29333 H1 TIP3 7780 34.848 -8.002 -9.245 0.00 0.00 SOLV ATOM 29334 H2 TIP3 7780 35.615 -6.825 -8.564 0.00 0.00 SOLV ATOM 29335 OH2 TIP3 7781 30.523 -1.734 -1.538 0.00 0.00 SOLV ATOM 29336 H1 TIP3 7781 30.899 -1.035 -0.912 0.00 0.00 SOLV ATOM 29337 H2 TIP3 7781 30.373 -2.490 -0.927 0.00 0.00 SOLV ATOM 29338 OH2 TIP3 7782 34.535 0.941 -28.676 0.00 0.00 SOLV ATOM 29339 H1 TIP3 7782 35.033 0.208 -29.014 0.00 0.00 SOLV ATOM 29340 H2 TIP3 7782 34.922 1.092 -27.845 0.00 0.00 SOLV ATOM 29341 OH2 TIP3 7783 26.589 -3.602 -4.165 0.00 0.00 SOLV ATOM 29342 H1 TIP3 7783 26.783 -3.998 -5.004 0.00 0.00 SOLV ATOM 29343 H2 TIP3 7783 27.418 -3.193 -3.966 0.00 0.00 SOLV ATOM 29344 OH2 TIP3 7784 26.396 -12.040 -3.649 0.00 0.00 SOLV ATOM 29345 H1 TIP3 7784 26.196 -12.743 -3.011 0.00 0.00 SOLV ATOM 29346 H2 TIP3 7784 26.873 -11.373 -3.101 0.00 0.00 SOLV ATOM 29347 OH2 TIP3 7785 29.630 1.438 -10.287 0.00 0.00 SOLV ATOM 29348 H1 TIP3 7785 30.580 1.314 -10.509 0.00 0.00 SOLV ATOM 29349 H2 TIP3 7785 29.674 1.551 -9.322 0.00 0.00 SOLV ATOM 29350 OH2 TIP3 7786 33.905 -4.156 -29.471 0.00 0.00 SOLV ATOM 29351 H1 TIP3 7786 33.382 -4.437 -30.275 0.00 0.00 SOLV ATOM 29352 H2 TIP3 7786 33.534 -3.331 -29.338 0.00 0.00 SOLV ATOM 29353 OH2 TIP3 7787 27.646 -4.890 -14.602 0.00 0.00 SOLV ATOM 29354 H1 TIP3 7787 26.788 -4.480 -14.348 0.00 0.00 SOLV ATOM 29355 H2 TIP3 7787 27.676 -5.630 -13.942 0.00 0.00 SOLV ATOM 29356 OH2 TIP3 7788 30.633 1.296 -7.796 0.00 0.00 SOLV ATOM 29357 H1 TIP3 7788 30.581 0.484 -7.260 0.00 0.00 SOLV ATOM 29358 H2 TIP3 7788 31.559 1.294 -8.043 0.00 0.00 SOLV ATOM 29359 OH2 TIP3 7789 31.002 -11.220 -30.600 0.00 0.00 SOLV ATOM 29360 H1 TIP3 7789 31.260 -12.096 -30.785 0.00 0.00 SOLV ATOM 29361 H2 TIP3 7789 31.602 -10.958 -29.860 0.00 0.00 SOLV ATOM 29362 OH2 TIP3 7790 32.076 -7.988 -20.626 0.00 0.00 SOLV ATOM 29363 H1 TIP3 7790 32.799 -8.655 -20.568 0.00 0.00 SOLV ATOM 29364 H2 TIP3 7790 32.529 -7.208 -20.847 0.00 0.00 SOLV ATOM 29365 OH2 TIP3 7791 23.963 -1.583 -38.188 0.00 0.00 SOLV ATOM 29366 H1 TIP3 7791 24.151 -1.675 -39.148 0.00 0.00 SOLV ATOM 29367 H2 TIP3 7791 23.493 -0.739 -38.096 0.00 0.00 SOLV ATOM 29368 OH2 TIP3 7792 25.260 -7.681 -5.094 0.00 0.00 SOLV ATOM 29369 H1 TIP3 7792 26.120 -8.102 -4.809 0.00 0.00 SOLV ATOM 29370 H2 TIP3 7792 25.204 -6.949 -4.457 0.00 0.00 SOLV ATOM 29371 OH2 TIP3 7793 34.326 -4.132 -38.737 0.00 0.00 SOLV ATOM 29372 H1 TIP3 7793 34.108 -4.474 -39.616 0.00 0.00 SOLV ATOM 29373 H2 TIP3 7793 35.299 -4.256 -38.709 0.00 0.00 SOLV ATOM 29374 OH2 TIP3 7794 30.223 3.971 -24.700 0.00 0.00 SOLV ATOM 29375 H1 TIP3 7794 31.170 3.869 -24.869 0.00 0.00 SOLV ATOM 29376 H2 TIP3 7794 30.043 4.862 -24.939 0.00 0.00 SOLV ATOM 29377 OH2 TIP3 7795 38.681 2.579 -32.699 0.00 0.00 SOLV ATOM 29378 H1 TIP3 7795 37.896 2.067 -32.568 0.00 0.00 SOLV ATOM 29379 H2 TIP3 7795 38.810 2.803 -31.775 0.00 0.00 SOLV ATOM 29380 OH2 TIP3 7796 -4.522 -4.197 -6.841 0.00 0.00 SOLV ATOM 29381 H1 TIP3 7796 -3.909 -3.867 -6.138 0.00 0.00 SOLV ATOM 29382 H2 TIP3 7796 -4.118 -4.037 -7.690 0.00 0.00 SOLV ATOM 29383 OH2 TIP3 7797 29.633 -0.930 -6.765 0.00 0.00 SOLV ATOM 29384 H1 TIP3 7797 29.422 -1.164 -7.719 0.00 0.00 SOLV ATOM 29385 H2 TIP3 7797 30.293 -1.577 -6.441 0.00 0.00 SOLV ATOM 29386 OH2 TIP3 7798 25.852 -3.594 1.653 0.00 0.00 SOLV ATOM 29387 H1 TIP3 7798 26.119 -3.368 2.502 0.00 0.00 SOLV ATOM 29388 H2 TIP3 7798 26.649 -3.252 1.158 0.00 0.00 SOLV ATOM 29389 OH2 TIP3 7799 31.739 3.225 -40.157 0.00 0.00 SOLV ATOM 29390 H1 TIP3 7799 32.074 3.978 -40.707 0.00 0.00 SOLV ATOM 29391 H2 TIP3 7799 31.718 3.651 -39.229 0.00 0.00 SOLV ATOM 29392 OH2 TIP3 7800 -2.214 10.590 -33.516 0.00 0.00 SOLV ATOM 29393 H1 TIP3 7800 -1.240 10.250 -33.289 0.00 0.00 SOLV ATOM 29394 H2 TIP3 7800 -1.980 11.442 -34.012 0.00 0.00 SOLV ATOM 29395 OH2 TIP3 7801 22.939 7.333 -45.043 0.00 0.00 SOLV ATOM 29396 H1 TIP3 7801 21.970 7.005 -44.984 0.00 0.00 SOLV ATOM 29397 H2 TIP3 7801 23.184 7.417 -45.988 0.00 0.00 SOLV ATOM 29398 OH2 TIP3 7802 29.313 -11.228 -14.152 0.00 0.00 SOLV ATOM 29399 H1 TIP3 7802 29.322 -12.198 -14.050 0.00 0.00 SOLV ATOM 29400 H2 TIP3 7802 29.349 -11.051 -15.108 0.00 0.00 SOLV ATOM 29401 OH2 TIP3 7803 26.634 -2.751 -7.693 0.00 0.00 SOLV ATOM 29402 H1 TIP3 7803 25.874 -3.354 -7.539 0.00 0.00 SOLV ATOM 29403 H2 TIP3 7803 27.120 -3.343 -8.291 0.00 0.00 SOLV ATOM 29404 OH2 TIP3 7804 32.190 -1.936 -12.815 0.00 0.00 SOLV ATOM 29405 H1 TIP3 7804 31.637 -2.693 -13.012 0.00 0.00 SOLV ATOM 29406 H2 TIP3 7804 32.932 -2.379 -12.327 0.00 0.00 SOLV ATOM 29407 OH2 TIP3 7805 27.593 -13.836 -6.590 0.00 0.00 SOLV ATOM 29408 H1 TIP3 7805 28.514 -14.046 -6.471 0.00 0.00 SOLV ATOM 29409 H2 TIP3 7805 27.181 -14.663 -6.864 0.00 0.00 SOLV ATOM 29410 OH2 TIP3 7806 25.277 -6.511 -10.727 0.00 0.00 SOLV ATOM 29411 H1 TIP3 7806 25.350 -7.110 -11.532 0.00 0.00 SOLV ATOM 29412 H2 TIP3 7806 25.801 -7.054 -10.076 0.00 0.00 SOLV ATOM 29413 OH2 TIP3 7807 36.287 16.604 -18.599 0.00 0.00 SOLV ATOM 29414 H1 TIP3 7807 36.107 16.234 -17.740 0.00 0.00 SOLV ATOM 29415 H2 TIP3 7807 36.255 17.587 -18.471 0.00 0.00 SOLV ATOM 29416 OH2 TIP3 7808 30.229 15.750 -18.793 0.00 0.00 SOLV ATOM 29417 H1 TIP3 7808 30.244 16.085 -19.707 0.00 0.00 SOLV ATOM 29418 H2 TIP3 7808 30.723 14.853 -18.898 0.00 0.00 SOLV ATOM 29419 OH2 TIP3 7809 26.565 6.662 -3.362 0.00 0.00 SOLV ATOM 29420 H1 TIP3 7809 26.274 6.442 -2.485 0.00 0.00 SOLV ATOM 29421 H2 TIP3 7809 27.128 7.407 -3.157 0.00 0.00 SOLV ATOM 29422 OH2 TIP3 7810 30.428 15.400 -2.521 0.00 0.00 SOLV ATOM 29423 H1 TIP3 7810 29.663 15.843 -2.123 0.00 0.00 SOLV ATOM 29424 H2 TIP3 7810 31.032 16.123 -2.662 0.00 0.00 SOLV ATOM 29425 OH2 TIP3 7811 36.493 12.260 -43.838 0.00 0.00 SOLV ATOM 29426 H1 TIP3 7811 35.981 11.501 -43.661 0.00 0.00 SOLV ATOM 29427 H2 TIP3 7811 36.933 12.380 -42.954 0.00 0.00 SOLV ATOM 29428 OH2 TIP3 7812 37.114 14.954 -23.673 0.00 0.00 SOLV ATOM 29429 H1 TIP3 7812 36.239 15.444 -23.569 0.00 0.00 SOLV ATOM 29430 H2 TIP3 7812 36.951 14.244 -23.095 0.00 0.00 SOLV ATOM 29431 OH2 TIP3 7813 28.853 -5.741 -31.271 0.00 0.00 SOLV ATOM 29432 H1 TIP3 7813 28.755 -6.355 -30.509 0.00 0.00 SOLV ATOM 29433 H2 TIP3 7813 28.394 -6.194 -31.999 0.00 0.00 SOLV ATOM 29434 OH2 TIP3 7814 30.531 -4.726 -18.836 0.00 0.00 SOLV ATOM 29435 H1 TIP3 7814 29.851 -5.115 -18.230 0.00 0.00 SOLV ATOM 29436 H2 TIP3 7814 30.110 -4.742 -19.726 0.00 0.00 SOLV ATOM 29437 OH2 TIP3 7815 12.006 12.510 6.956 0.00 0.00 SOLV ATOM 29438 H1 TIP3 7815 12.876 12.730 7.360 0.00 0.00 SOLV ATOM 29439 H2 TIP3 7815 12.153 11.662 6.566 0.00 0.00 SOLV ATOM 29440 OH2 TIP3 7816 29.385 3.957 -47.095 0.00 0.00 SOLV ATOM 29441 H1 TIP3 7816 28.809 3.409 -46.551 0.00 0.00 SOLV ATOM 29442 H2 TIP3 7816 28.713 4.525 -47.500 0.00 0.00 SOLV ATOM 29443 OH2 TIP3 7817 37.816 9.393 -36.653 0.00 0.00 SOLV ATOM 29444 H1 TIP3 7817 37.921 8.441 -36.701 0.00 0.00 SOLV ATOM 29445 H2 TIP3 7817 37.274 9.599 -35.912 0.00 0.00 SOLV ATOM 29446 OH2 TIP3 7818 30.517 13.999 -33.100 0.00 0.00 SOLV ATOM 29447 H1 TIP3 7818 30.124 13.710 -33.930 0.00 0.00 SOLV ATOM 29448 H2 TIP3 7818 31.083 13.261 -32.928 0.00 0.00 SOLV ATOM 29449 OH2 TIP3 7819 32.391 0.748 -18.289 0.00 0.00 SOLV ATOM 29450 H1 TIP3 7819 33.356 0.716 -18.546 0.00 0.00 SOLV ATOM 29451 H2 TIP3 7819 32.396 1.173 -17.399 0.00 0.00 SOLV ATOM 29452 OH2 TIP3 7820 38.396 15.812 -37.006 0.00 0.00 SOLV ATOM 29453 H1 TIP3 7820 38.188 14.894 -37.090 0.00 0.00 SOLV ATOM 29454 H2 TIP3 7820 39.297 15.894 -37.294 0.00 0.00 SOLV ATOM 29455 OH2 TIP3 7821 18.980 15.423 -12.017 0.00 0.00 SOLV ATOM 29456 H1 TIP3 7821 18.532 15.061 -12.832 0.00 0.00 SOLV ATOM 29457 H2 TIP3 7821 19.746 14.843 -11.964 0.00 0.00 SOLV ATOM 29458 OH2 TIP3 7822 28.135 6.375 5.929 0.00 0.00 SOLV ATOM 29459 H1 TIP3 7822 28.098 6.224 6.892 0.00 0.00 SOLV ATOM 29460 H2 TIP3 7822 27.619 5.708 5.533 0.00 0.00 SOLV ATOM 29461 OH2 TIP3 7823 25.939 4.320 -46.121 0.00 0.00 SOLV ATOM 29462 H1 TIP3 7823 25.313 4.595 -46.876 0.00 0.00 SOLV ATOM 29463 H2 TIP3 7823 25.393 4.473 -45.314 0.00 0.00 SOLV ATOM 29464 OH2 TIP3 7824 30.694 0.768 -29.505 0.00 0.00 SOLV ATOM 29465 H1 TIP3 7824 31.083 -0.081 -29.656 0.00 0.00 SOLV ATOM 29466 H2 TIP3 7824 30.806 1.183 -30.340 0.00 0.00 SOLV ATOM 29467 OH2 TIP3 7825 26.389 7.832 -6.571 0.00 0.00 SOLV ATOM 29468 H1 TIP3 7825 26.719 7.220 -5.783 0.00 0.00 SOLV ATOM 29469 H2 TIP3 7825 26.943 8.662 -6.487 0.00 0.00 SOLV ATOM 29470 OH2 TIP3 7826 29.806 14.849 5.891 0.00 0.00 SOLV ATOM 29471 H1 TIP3 7826 30.015 15.302 5.057 0.00 0.00 SOLV ATOM 29472 H2 TIP3 7826 29.019 15.303 6.251 0.00 0.00 SOLV ATOM 29473 OH2 TIP3 7827 29.315 10.119 6.323 0.00 0.00 SOLV ATOM 29474 H1 TIP3 7827 29.851 9.618 5.695 0.00 0.00 SOLV ATOM 29475 H2 TIP3 7827 29.128 10.977 5.780 0.00 0.00 SOLV ATOM 29476 OH2 TIP3 7828 24.943 4.226 -52.729 0.00 0.00 SOLV ATOM 29477 H1 TIP3 7828 24.799 5.194 -52.861 0.00 0.00 SOLV ATOM 29478 H2 TIP3 7828 25.864 4.138 -52.631 0.00 0.00 SOLV ATOM 29479 OH2 TIP3 7829 29.321 7.219 -46.574 0.00 0.00 SOLV ATOM 29480 H1 TIP3 7829 29.170 8.082 -47.009 0.00 0.00 SOLV ATOM 29481 H2 TIP3 7829 30.155 7.339 -46.142 0.00 0.00 SOLV ATOM 29482 OH2 TIP3 7830 28.685 21.088 -20.251 0.00 0.00 SOLV ATOM 29483 H1 TIP3 7830 29.163 20.772 -19.454 0.00 0.00 SOLV ATOM 29484 H2 TIP3 7830 27.898 20.532 -20.330 0.00 0.00 SOLV ATOM 29485 OH2 TIP3 7831 29.531 -0.711 -46.040 0.00 0.00 SOLV ATOM 29486 H1 TIP3 7831 29.857 -1.636 -45.949 0.00 0.00 SOLV ATOM 29487 H2 TIP3 7831 30.111 -0.080 -45.576 0.00 0.00 SOLV ATOM 29488 OH2 TIP3 7832 38.497 13.732 -26.284 0.00 0.00 SOLV ATOM 29489 H1 TIP3 7832 38.166 12.816 -26.199 0.00 0.00 SOLV ATOM 29490 H2 TIP3 7832 38.180 14.207 -25.459 0.00 0.00 SOLV ATOM 29491 OH2 TIP3 7833 39.996 11.954 -8.015 0.00 0.00 SOLV ATOM 29492 H1 TIP3 7833 39.119 11.594 -8.211 0.00 0.00 SOLV ATOM 29493 H2 TIP3 7833 40.112 11.650 -7.082 0.00 0.00 SOLV ATOM 29494 OH2 TIP3 7834 27.064 -5.204 -34.385 0.00 0.00 SOLV ATOM 29495 H1 TIP3 7834 26.746 -4.754 -35.135 0.00 0.00 SOLV ATOM 29496 H2 TIP3 7834 26.683 -4.644 -33.651 0.00 0.00 SOLV ATOM 29497 OH2 TIP3 7835 35.173 13.161 -21.850 0.00 0.00 SOLV ATOM 29498 H1 TIP3 7835 34.728 12.635 -21.175 0.00 0.00 SOLV ATOM 29499 H2 TIP3 7835 34.512 13.596 -22.444 0.00 0.00 SOLV ATOM 29500 OH2 TIP3 7836 25.335 9.895 -47.765 0.00 0.00 SOLV ATOM 29501 H1 TIP3 7836 24.766 10.289 -48.413 0.00 0.00 SOLV ATOM 29502 H2 TIP3 7836 25.677 9.095 -48.204 0.00 0.00 SOLV ATOM 29503 OH2 TIP3 7837 21.049 9.048 -9.322 0.00 0.00 SOLV ATOM 29504 H1 TIP3 7837 20.199 8.840 -8.947 0.00 0.00 SOLV ATOM 29505 H2 TIP3 7837 20.959 9.892 -9.681 0.00 0.00 SOLV ATOM 29506 OH2 TIP3 7838 27.338 13.778 -8.898 0.00 0.00 SOLV ATOM 29507 H1 TIP3 7838 27.901 14.540 -8.596 0.00 0.00 SOLV ATOM 29508 H2 TIP3 7838 26.475 14.197 -8.899 0.00 0.00 SOLV ATOM 29509 OH2 TIP3 7839 26.943 9.649 -2.732 0.00 0.00 SOLV ATOM 29510 H1 TIP3 7839 26.432 10.403 -2.498 0.00 0.00 SOLV ATOM 29511 H2 TIP3 7839 27.851 9.788 -2.419 0.00 0.00 SOLV ATOM 29512 OH2 TIP3 7840 24.740 15.848 -2.335 0.00 0.00 SOLV ATOM 29513 H1 TIP3 7840 25.578 16.217 -1.972 0.00 0.00 SOLV ATOM 29514 H2 TIP3 7840 24.098 16.221 -1.746 0.00 0.00 SOLV ATOM 29515 OH2 TIP3 7841 25.175 -14.956 -45.077 0.00 0.00 SOLV ATOM 29516 H1 TIP3 7841 25.797 -14.800 -44.344 0.00 0.00 SOLV ATOM 29517 H2 TIP3 7841 24.751 -15.779 -44.771 0.00 0.00 SOLV ATOM 29518 OH2 TIP3 7842 27.504 -13.714 -17.350 0.00 0.00 SOLV ATOM 29519 H1 TIP3 7842 28.364 -13.764 -16.991 0.00 0.00 SOLV ATOM 29520 H2 TIP3 7842 26.942 -14.185 -16.736 0.00 0.00 SOLV ATOM 29521 OH2 TIP3 7843 33.758 -10.587 -39.977 0.00 0.00 SOLV ATOM 29522 H1 TIP3 7843 33.711 -11.275 -39.291 0.00 0.00 SOLV ATOM 29523 H2 TIP3 7843 34.524 -10.886 -40.489 0.00 0.00 SOLV ATOM 29524 OH2 TIP3 7844 27.425 -15.031 -43.251 0.00 0.00 SOLV ATOM 29525 H1 TIP3 7844 28.169 -14.792 -43.841 0.00 0.00 SOLV ATOM 29526 H2 TIP3 7844 27.523 -15.958 -43.075 0.00 0.00 SOLV ATOM 29527 OH2 TIP3 7845 29.616 -11.260 -37.488 0.00 0.00 SOLV ATOM 29528 H1 TIP3 7845 29.936 -10.512 -37.972 0.00 0.00 SOLV ATOM 29529 H2 TIP3 7845 28.657 -11.048 -37.227 0.00 0.00 SOLV ATOM 29530 OH2 TIP3 7846 31.404 -14.843 -34.952 0.00 0.00 SOLV ATOM 29531 H1 TIP3 7846 30.637 -14.915 -35.543 0.00 0.00 SOLV ATOM 29532 H2 TIP3 7846 31.135 -15.392 -34.200 0.00 0.00 SOLV ATOM 29533 OH2 TIP3 7847 31.417 -14.245 -22.658 0.00 0.00 SOLV ATOM 29534 H1 TIP3 7847 32.020 -14.009 -22.005 0.00 0.00 SOLV ATOM 29535 H2 TIP3 7847 31.355 -15.196 -22.536 0.00 0.00 SOLV ATOM 29536 OH2 TIP3 7848 26.174 -14.383 -23.592 0.00 0.00 SOLV ATOM 29537 H1 TIP3 7848 26.211 -14.338 -22.580 0.00 0.00 SOLV ATOM 29538 H2 TIP3 7848 26.988 -13.989 -23.821 0.00 0.00 SOLV ATOM 29539 OH2 TIP3 7849 29.976 -7.916 -47.034 0.00 0.00 SOLV ATOM 29540 H1 TIP3 7849 29.060 -8.061 -46.634 0.00 0.00 SOLV ATOM 29541 H2 TIP3 7849 30.272 -7.051 -46.622 0.00 0.00 SOLV ATOM 29542 OH2 TIP3 7850 26.045 -18.900 -21.642 0.00 0.00 SOLV ATOM 29543 H1 TIP3 7850 26.148 -18.288 -22.382 0.00 0.00 SOLV ATOM 29544 H2 TIP3 7850 25.331 -18.451 -21.157 0.00 0.00 SOLV ATOM 29545 OH2 TIP3 7851 28.181 -10.737 -1.909 0.00 0.00 SOLV ATOM 29546 H1 TIP3 7851 28.247 -11.636 -1.639 0.00 0.00 SOLV ATOM 29547 H2 TIP3 7851 28.476 -10.255 -1.145 0.00 0.00 SOLV ATOM 29548 OH2 TIP3 7852 28.454 -6.349 -4.168 0.00 0.00 SOLV ATOM 29549 H1 TIP3 7852 28.123 -7.288 -4.250 0.00 0.00 SOLV ATOM 29550 H2 TIP3 7852 27.967 -5.855 -4.844 0.00 0.00 SOLV ATOM 29551 OH2 TIP3 7853 28.627 -4.460 -40.450 0.00 0.00 SOLV ATOM 29552 H1 TIP3 7853 28.725 -5.059 -39.732 0.00 0.00 SOLV ATOM 29553 H2 TIP3 7853 28.658 -3.578 -40.035 0.00 0.00 SOLV ATOM 29554 OH2 TIP3 7854 19.758 -12.589 -32.337 0.00 0.00 SOLV ATOM 29555 H1 TIP3 7854 18.985 -13.028 -31.901 0.00 0.00 SOLV ATOM 29556 H2 TIP3 7854 20.476 -13.265 -32.280 0.00 0.00 SOLV ATOM 29557 OH2 TIP3 7855 26.577 -12.500 -32.645 0.00 0.00 SOLV ATOM 29558 H1 TIP3 7855 27.310 -12.955 -33.065 0.00 0.00 SOLV ATOM 29559 H2 TIP3 7855 26.823 -11.564 -32.801 0.00 0.00 SOLV ATOM 29560 OH2 TIP3 7856 33.565 -10.442 -19.509 0.00 0.00 SOLV ATOM 29561 H1 TIP3 7856 34.311 -11.036 -19.504 0.00 0.00 SOLV ATOM 29562 H2 TIP3 7856 33.902 -9.644 -19.056 0.00 0.00 SOLV ATOM 29563 OH2 TIP3 7857 24.500 -7.837 -7.814 0.00 0.00 SOLV ATOM 29564 H1 TIP3 7857 24.795 -7.663 -6.888 0.00 0.00 SOLV ATOM 29565 H2 TIP3 7857 23.519 -8.066 -7.693 0.00 0.00 SOLV ATOM 29566 OH2 TIP3 7858 24.926 -5.364 -2.934 0.00 0.00 SOLV ATOM 29567 H1 TIP3 7858 24.189 -4.926 -2.578 0.00 0.00 SOLV ATOM 29568 H2 TIP3 7858 25.516 -4.673 -3.121 0.00 0.00 SOLV ATOM 29569 OH2 TIP3 7859 31.219 -11.884 -35.348 0.00 0.00 SOLV ATOM 29570 H1 TIP3 7859 31.323 -12.862 -35.173 0.00 0.00 SOLV ATOM 29571 H2 TIP3 7859 30.649 -11.831 -36.092 0.00 0.00 SOLV ATOM 29572 OH2 TIP3 7860 27.429 -8.291 -19.657 0.00 0.00 SOLV ATOM 29573 H1 TIP3 7860 27.066 -8.310 -18.833 0.00 0.00 SOLV ATOM 29574 H2 TIP3 7860 27.122 -7.401 -20.036 0.00 0.00 SOLV ATOM 29575 OH2 TIP3 7861 43.411 -4.065 -24.654 0.00 0.00 SOLV ATOM 29576 H1 TIP3 7861 42.659 -4.434 -25.158 0.00 0.00 SOLV ATOM 29577 H2 TIP3 7861 43.386 -3.109 -25.042 0.00 0.00 SOLV ATOM 29578 OH2 TIP3 7862 30.551 -13.701 -18.410 0.00 0.00 SOLV ATOM 29579 H1 TIP3 7862 29.919 -13.585 -19.092 0.00 0.00 SOLV ATOM 29580 H2 TIP3 7862 30.781 -14.613 -18.481 0.00 0.00 SOLV ATOM 29581 OH2 TIP3 7863 30.460 -12.026 -23.717 0.00 0.00 SOLV ATOM 29582 H1 TIP3 7863 30.858 -11.647 -22.939 0.00 0.00 SOLV ATOM 29583 H2 TIP3 7863 31.223 -12.131 -24.317 0.00 0.00 SOLV ATOM 29584 OH2 TIP3 7864 32.288 -5.174 -3.544 0.00 0.00 SOLV ATOM 29585 H1 TIP3 7864 33.142 -4.996 -4.105 0.00 0.00 SOLV ATOM 29586 H2 TIP3 7864 31.602 -5.039 -4.193 0.00 0.00 SOLV ATOM 29587 OH2 TIP3 7865 27.133 1.909 -47.161 0.00 0.00 SOLV ATOM 29588 H1 TIP3 7865 26.718 2.649 -46.710 0.00 0.00 SOLV ATOM 29589 H2 TIP3 7865 26.448 1.692 -47.836 0.00 0.00 SOLV ATOM 29590 OH2 TIP3 7866 28.371 -16.508 -37.901 0.00 0.00 SOLV ATOM 29591 H1 TIP3 7866 28.375 -17.230 -38.607 0.00 0.00 SOLV ATOM 29592 H2 TIP3 7866 27.537 -16.718 -37.454 0.00 0.00 SOLV ATOM 29593 OH2 TIP3 7867 28.280 -7.280 -29.018 0.00 0.00 SOLV ATOM 29594 H1 TIP3 7867 28.490 -7.156 -28.085 0.00 0.00 SOLV ATOM 29595 H2 TIP3 7867 28.330 -8.244 -29.135 0.00 0.00 SOLV ATOM 29596 OH2 TIP3 7868 34.688 -7.855 -18.478 0.00 0.00 SOLV ATOM 29597 H1 TIP3 7868 34.140 -7.154 -18.078 0.00 0.00 SOLV ATOM 29598 H2 TIP3 7868 35.565 -7.517 -18.385 0.00 0.00 SOLV ATOM 29599 OH2 TIP3 7869 30.295 -7.402 -22.650 0.00 0.00 SOLV ATOM 29600 H1 TIP3 7869 30.946 -7.656 -21.957 0.00 0.00 SOLV ATOM 29601 H2 TIP3 7869 29.810 -8.189 -22.869 0.00 0.00 SOLV ATOM 29602 OH2 TIP3 7870 26.617 -12.636 -13.647 0.00 0.00 SOLV ATOM 29603 H1 TIP3 7870 26.522 -12.043 -12.876 0.00 0.00 SOLV ATOM 29604 H2 TIP3 7870 25.831 -12.506 -14.268 0.00 0.00 SOLV ATOM 29605 OH2 TIP3 7871 31.347 2.883 -2.612 0.00 0.00 SOLV ATOM 29606 H1 TIP3 7871 31.450 2.024 -3.112 0.00 0.00 SOLV ATOM 29607 H2 TIP3 7871 32.177 2.939 -2.111 0.00 0.00 SOLV ATOM 29608 OH2 TIP3 7872 30.753 -16.178 -27.400 0.00 0.00 SOLV ATOM 29609 H1 TIP3 7872 31.613 -16.158 -26.903 0.00 0.00 SOLV ATOM 29610 H2 TIP3 7872 31.050 -16.477 -28.296 0.00 0.00 SOLV ATOM 29611 OH2 TIP3 7873 39.327 7.685 -30.264 0.00 0.00 SOLV ATOM 29612 H1 TIP3 7873 38.418 7.291 -30.116 0.00 0.00 SOLV ATOM 29613 H2 TIP3 7873 39.663 7.584 -29.392 0.00 0.00 SOLV ATOM 29614 OH2 TIP3 7874 35.069 6.377 -32.823 0.00 0.00 SOLV ATOM 29615 H1 TIP3 7874 34.894 5.704 -33.461 0.00 0.00 SOLV ATOM 29616 H2 TIP3 7874 36.041 6.280 -32.682 0.00 0.00 SOLV ATOM 29617 OH2 TIP3 7875 30.682 -2.525 -26.150 0.00 0.00 SOLV ATOM 29618 H1 TIP3 7875 30.861 -1.980 -25.377 0.00 0.00 SOLV ATOM 29619 H2 TIP3 7875 30.774 -3.371 -25.667 0.00 0.00 SOLV ATOM 29620 OH2 TIP3 7876 23.515 20.051 -15.274 0.00 0.00 SOLV ATOM 29621 H1 TIP3 7876 22.722 20.354 -14.888 0.00 0.00 SOLV ATOM 29622 H2 TIP3 7876 23.707 19.154 -14.878 0.00 0.00 SOLV ATOM 29623 OH2 TIP3 7877 27.797 0.313 -0.045 0.00 0.00 SOLV ATOM 29624 H1 TIP3 7877 28.079 1.109 -0.448 0.00 0.00 SOLV ATOM 29625 H2 TIP3 7877 27.203 0.613 0.730 0.00 0.00 SOLV ATOM 29626 OH2 TIP3 7878 28.403 0.560 -4.537 0.00 0.00 SOLV ATOM 29627 H1 TIP3 7878 28.219 0.326 -5.384 0.00 0.00 SOLV ATOM 29628 H2 TIP3 7878 27.752 0.047 -4.002 0.00 0.00 SOLV ATOM 29629 OH2 TIP3 7879 23.667 11.679 -41.924 0.00 0.00 SOLV ATOM 29630 H1 TIP3 7879 24.624 11.532 -42.013 0.00 0.00 SOLV ATOM 29631 H2 TIP3 7879 23.297 10.960 -42.561 0.00 0.00 SOLV ATOM 29632 OH2 TIP3 7880 31.308 1.076 -32.118 0.00 0.00 SOLV ATOM 29633 H1 TIP3 7880 32.021 1.636 -31.936 0.00 0.00 SOLV ATOM 29634 H2 TIP3 7880 31.806 0.366 -32.577 0.00 0.00 SOLV ATOM 29635 OH2 TIP3 7881 32.079 -2.719 -40.030 0.00 0.00 SOLV ATOM 29636 H1 TIP3 7881 32.368 -3.480 -39.589 0.00 0.00 SOLV ATOM 29637 H2 TIP3 7881 31.649 -3.033 -40.857 0.00 0.00 SOLV ATOM 29638 OH2 TIP3 7882 27.716 4.518 -43.964 0.00 0.00 SOLV ATOM 29639 H1 TIP3 7882 27.165 4.622 -44.754 0.00 0.00 SOLV ATOM 29640 H2 TIP3 7882 27.733 5.452 -43.648 0.00 0.00 SOLV ATOM 29641 OH2 TIP3 7883 35.524 4.376 -28.985 0.00 0.00 SOLV ATOM 29642 H1 TIP3 7883 35.284 4.022 -28.106 0.00 0.00 SOLV ATOM 29643 H2 TIP3 7883 36.187 3.748 -29.203 0.00 0.00 SOLV ATOM 29644 OH2 TIP3 7884 27.702 4.476 -8.506 0.00 0.00 SOLV ATOM 29645 H1 TIP3 7884 28.531 4.971 -8.272 0.00 0.00 SOLV ATOM 29646 H2 TIP3 7884 27.001 5.171 -8.514 0.00 0.00 SOLV ATOM 29647 OH2 TIP3 7885 24.899 -12.706 -39.100 0.00 0.00 SOLV ATOM 29648 H1 TIP3 7885 24.161 -12.094 -39.273 0.00 0.00 SOLV ATOM 29649 H2 TIP3 7885 25.266 -12.870 -40.005 0.00 0.00 SOLV ATOM 29650 OH2 TIP3 7886 30.408 12.311 -36.895 0.00 0.00 SOLV ATOM 29651 H1 TIP3 7886 29.775 12.433 -36.154 0.00 0.00 SOLV ATOM 29652 H2 TIP3 7886 29.758 12.237 -37.619 0.00 0.00 SOLV ATOM 29653 OH2 TIP3 7887 31.512 4.668 -37.702 0.00 0.00 SOLV ATOM 29654 H1 TIP3 7887 32.049 5.385 -37.305 0.00 0.00 SOLV ATOM 29655 H2 TIP3 7887 30.566 5.043 -37.666 0.00 0.00 SOLV ATOM 29656 OH2 TIP3 7888 30.762 -5.048 -38.145 0.00 0.00 SOLV ATOM 29657 H1 TIP3 7888 30.184 -5.084 -37.407 0.00 0.00 SOLV ATOM 29658 H2 TIP3 7888 31.575 -4.656 -37.777 0.00 0.00 SOLV ATOM 29659 OH2 TIP3 7889 36.521 9.788 -34.265 0.00 0.00 SOLV ATOM 29660 H1 TIP3 7889 36.302 9.382 -33.394 0.00 0.00 SOLV ATOM 29661 H2 TIP3 7889 36.903 10.632 -33.967 0.00 0.00 SOLV ATOM 29662 OH2 TIP3 7890 0.468 -9.410 14.670 0.00 0.00 SOLV ATOM 29663 H1 TIP3 7890 -0.047 -9.372 15.503 0.00 0.00 SOLV ATOM 29664 H2 TIP3 7890 1.088 -10.129 14.891 0.00 0.00 SOLV ATOM 29665 OH2 TIP3 7891 30.511 -5.191 -10.708 0.00 0.00 SOLV ATOM 29666 H1 TIP3 7891 30.295 -5.929 -10.142 0.00 0.00 SOLV ATOM 29667 H2 TIP3 7891 31.378 -5.490 -11.093 0.00 0.00 SOLV ATOM 29668 OH2 TIP3 7892 31.295 0.515 -4.067 0.00 0.00 SOLV ATOM 29669 H1 TIP3 7892 31.455 -0.395 -4.398 0.00 0.00 SOLV ATOM 29670 H2 TIP3 7892 30.342 0.641 -4.282 0.00 0.00 SOLV ATOM 29671 OH2 TIP3 7893 34.586 -7.876 -15.568 0.00 0.00 SOLV ATOM 29672 H1 TIP3 7893 34.656 -8.753 -15.988 0.00 0.00 SOLV ATOM 29673 H2 TIP3 7893 35.313 -7.385 -15.947 0.00 0.00 SOLV ATOM 29674 OH2 TIP3 7894 29.934 -6.233 -1.863 0.00 0.00 SOLV ATOM 29675 H1 TIP3 7894 29.224 -6.273 -2.544 0.00 0.00 SOLV ATOM 29676 H2 TIP3 7894 30.717 -6.098 -2.331 0.00 0.00 SOLV ATOM 29677 OH2 TIP3 7895 33.744 9.196 -5.125 0.00 0.00 SOLV ATOM 29678 H1 TIP3 7895 33.803 10.169 -5.362 0.00 0.00 SOLV ATOM 29679 H2 TIP3 7895 33.354 8.855 -5.970 0.00 0.00 SOLV ATOM 29680 OH2 TIP3 7896 35.451 6.156 -43.203 0.00 0.00 SOLV ATOM 29681 H1 TIP3 7896 34.472 5.931 -43.116 0.00 0.00 SOLV ATOM 29682 H2 TIP3 7896 35.607 6.898 -42.524 0.00 0.00 SOLV ATOM 29683 OH2 TIP3 7897 31.901 -4.983 -31.280 0.00 0.00 SOLV ATOM 29684 H1 TIP3 7897 31.472 -5.813 -31.209 0.00 0.00 SOLV ATOM 29685 H2 TIP3 7897 32.109 -5.008 -32.218 0.00 0.00 SOLV ATOM 29686 OH2 TIP3 7898 28.847 7.130 -49.771 0.00 0.00 SOLV ATOM 29687 H1 TIP3 7898 29.532 6.444 -49.440 0.00 0.00 SOLV ATOM 29688 H2 TIP3 7898 29.406 7.883 -49.816 0.00 0.00 SOLV ATOM 29689 OH2 TIP3 7899 17.596 11.097 -11.649 0.00 0.00 SOLV ATOM 29690 H1 TIP3 7899 17.301 10.628 -10.840 0.00 0.00 SOLV ATOM 29691 H2 TIP3 7899 17.123 10.645 -12.396 0.00 0.00 SOLV ATOM 29692 OH2 TIP3 7900 32.492 -3.350 -37.019 0.00 0.00 SOLV ATOM 29693 H1 TIP3 7900 32.896 -2.867 -36.302 0.00 0.00 SOLV ATOM 29694 H2 TIP3 7900 33.308 -3.594 -37.462 0.00 0.00 SOLV ATOM 29695 OH2 TIP3 7901 35.239 6.310 -18.179 0.00 0.00 SOLV ATOM 29696 H1 TIP3 7901 35.199 6.017 -17.258 0.00 0.00 SOLV ATOM 29697 H2 TIP3 7901 35.767 7.069 -18.112 0.00 0.00 SOLV ATOM 29698 OH2 TIP3 7902 43.431 0.938 -19.225 0.00 0.00 SOLV ATOM 29699 H1 TIP3 7902 43.961 0.242 -19.704 0.00 0.00 SOLV ATOM 29700 H2 TIP3 7902 43.591 0.660 -18.261 0.00 0.00 SOLV ATOM 29701 OH2 TIP3 7903 25.693 7.537 -9.188 0.00 0.00 SOLV ATOM 29702 H1 TIP3 7903 25.545 8.504 -9.413 0.00 0.00 SOLV ATOM 29703 H2 TIP3 7903 26.085 7.644 -8.297 0.00 0.00 SOLV ATOM 29704 OH2 TIP3 7904 43.004 -5.136 -22.094 0.00 0.00 SOLV ATOM 29705 H1 TIP3 7904 43.132 -4.787 -22.969 0.00 0.00 SOLV ATOM 29706 H2 TIP3 7904 43.188 -6.051 -22.169 0.00 0.00 SOLV ATOM 29707 OH2 TIP3 7905 28.584 11.243 -8.491 0.00 0.00 SOLV ATOM 29708 H1 TIP3 7905 28.247 12.144 -8.626 0.00 0.00 SOLV ATOM 29709 H2 TIP3 7905 28.455 11.024 -7.568 0.00 0.00 SOLV ATOM 29710 OH2 TIP3 7906 41.508 -0.921 -9.900 0.00 0.00 SOLV ATOM 29711 H1 TIP3 7906 40.925 -0.748 -9.105 0.00 0.00 SOLV ATOM 29712 H2 TIP3 7906 42.282 -1.236 -9.479 0.00 0.00 SOLV ATOM 29713 OH2 TIP3 7907 25.420 7.292 -0.244 0.00 0.00 SOLV ATOM 29714 H1 TIP3 7907 24.662 6.719 -0.176 0.00 0.00 SOLV ATOM 29715 H2 TIP3 7907 25.226 7.954 0.492 0.00 0.00 SOLV ATOM 29716 OH2 TIP3 7908 25.684 15.312 -47.156 0.00 0.00 SOLV ATOM 29717 H1 TIP3 7908 25.731 14.309 -47.134 0.00 0.00 SOLV ATOM 29718 H2 TIP3 7908 26.015 15.613 -48.021 0.00 0.00 SOLV ATOM 29719 OH2 TIP3 7909 36.029 10.404 -17.605 0.00 0.00 SOLV ATOM 29720 H1 TIP3 7909 36.771 10.985 -17.676 0.00 0.00 SOLV ATOM 29721 H2 TIP3 7909 36.406 9.526 -17.810 0.00 0.00 SOLV ATOM 29722 OH2 TIP3 7910 34.560 9.823 -36.457 0.00 0.00 SOLV ATOM 29723 H1 TIP3 7910 35.121 9.866 -35.629 0.00 0.00 SOLV ATOM 29724 H2 TIP3 7910 33.697 10.003 -36.115 0.00 0.00 SOLV ATOM 29725 OH2 TIP3 7911 1.120 -6.676 1.485 0.00 0.00 SOLV ATOM 29726 H1 TIP3 7911 0.485 -6.242 2.011 0.00 0.00 SOLV ATOM 29727 H2 TIP3 7911 2.050 -6.484 1.761 0.00 0.00 SOLV ATOM 29728 OH2 TIP3 7912 35.246 8.522 -27.985 0.00 0.00 SOLV ATOM 29729 H1 TIP3 7912 34.413 8.419 -28.509 0.00 0.00 SOLV ATOM 29730 H2 TIP3 7912 34.910 8.533 -27.071 0.00 0.00 SOLV ATOM 29731 OH2 TIP3 7913 19.755 14.103 -15.683 0.00 0.00 SOLV ATOM 29732 H1 TIP3 7913 20.048 13.216 -15.816 0.00 0.00 SOLV ATOM 29733 H2 TIP3 7913 20.545 14.582 -15.753 0.00 0.00 SOLV ATOM 29734 OH2 TIP3 7914 38.282 15.960 -29.616 0.00 0.00 SOLV ATOM 29735 H1 TIP3 7914 37.305 15.845 -29.699 0.00 0.00 SOLV ATOM 29736 H2 TIP3 7914 38.704 15.369 -30.261 0.00 0.00 SOLV ATOM 29737 OH2 TIP3 7915 32.796 9.074 -12.274 0.00 0.00 SOLV ATOM 29738 H1 TIP3 7915 32.245 9.220 -11.491 0.00 0.00 SOLV ATOM 29739 H2 TIP3 7915 32.780 9.957 -12.734 0.00 0.00 SOLV ATOM 29740 OH2 TIP3 7916 27.659 6.955 -11.858 0.00 0.00 SOLV ATOM 29741 H1 TIP3 7916 27.490 7.849 -11.770 0.00 0.00 SOLV ATOM 29742 H2 TIP3 7916 28.491 6.811 -11.302 0.00 0.00 SOLV ATOM 29743 OH2 TIP3 7917 31.903 5.180 -4.212 0.00 0.00 SOLV ATOM 29744 H1 TIP3 7917 31.787 4.786 -5.070 0.00 0.00 SOLV ATOM 29745 H2 TIP3 7917 31.870 4.414 -3.656 0.00 0.00 SOLV ATOM 29746 OH2 TIP3 7918 28.455 9.690 -47.579 0.00 0.00 SOLV ATOM 29747 H1 TIP3 7918 28.511 10.449 -46.940 0.00 0.00 SOLV ATOM 29748 H2 TIP3 7918 28.615 10.203 -48.463 0.00 0.00 SOLV ATOM 29749 OH2 TIP3 7919 25.482 8.450 -52.360 0.00 0.00 SOLV ATOM 29750 H1 TIP3 7919 25.001 7.905 -52.994 0.00 0.00 SOLV ATOM 29751 H2 TIP3 7919 24.795 9.195 -52.197 0.00 0.00 SOLV ATOM 29752 OH2 TIP3 7920 34.639 7.887 -38.820 0.00 0.00 SOLV ATOM 29753 H1 TIP3 7920 33.720 7.672 -38.705 0.00 0.00 SOLV ATOM 29754 H2 TIP3 7920 34.799 8.573 -38.104 0.00 0.00 SOLV ATOM 29755 OH2 TIP3 7921 34.857 16.484 -23.333 0.00 0.00 SOLV ATOM 29756 H1 TIP3 7921 35.589 17.035 -22.943 0.00 0.00 SOLV ATOM 29757 H2 TIP3 7921 34.040 16.954 -23.002 0.00 0.00 SOLV ATOM 29758 OH2 TIP3 7922 40.384 13.289 -30.108 0.00 0.00 SOLV ATOM 29759 H1 TIP3 7922 40.158 13.384 -31.055 0.00 0.00 SOLV ATOM 29760 H2 TIP3 7922 41.314 13.121 -30.142 0.00 0.00 SOLV ATOM 29761 OH2 TIP3 7923 37.410 13.848 -10.626 0.00 0.00 SOLV ATOM 29762 H1 TIP3 7923 38.166 13.878 -10.090 0.00 0.00 SOLV ATOM 29763 H2 TIP3 7923 37.757 13.769 -11.495 0.00 0.00 SOLV ATOM 29764 OH2 TIP3 7924 29.767 6.083 -7.629 0.00 0.00 SOLV ATOM 29765 H1 TIP3 7924 29.533 6.470 -6.831 0.00 0.00 SOLV ATOM 29766 H2 TIP3 7924 30.683 5.835 -7.560 0.00 0.00 SOLV ATOM 29767 OH2 TIP3 7925 37.260 1.944 -7.681 0.00 0.00 SOLV ATOM 29768 H1 TIP3 7925 37.098 0.970 -7.646 0.00 0.00 SOLV ATOM 29769 H2 TIP3 7925 37.472 2.019 -8.632 0.00 0.00 SOLV ATOM 29770 OH2 TIP3 7926 22.909 10.019 -43.845 0.00 0.00 SOLV ATOM 29771 H1 TIP3 7926 23.020 9.111 -44.152 0.00 0.00 SOLV ATOM 29772 H2 TIP3 7926 23.035 10.541 -44.665 0.00 0.00 SOLV ATOM 29773 OH2 TIP3 7927 39.241 8.583 -24.933 0.00 0.00 SOLV ATOM 29774 H1 TIP3 7927 39.424 8.488 -25.885 0.00 0.00 SOLV ATOM 29775 H2 TIP3 7927 38.421 7.997 -24.843 0.00 0.00 SOLV ATOM 29776 OH2 TIP3 7928 16.327 -7.595 -10.744 0.00 0.00 SOLV ATOM 29777 H1 TIP3 7928 15.833 -7.586 -11.609 0.00 0.00 SOLV ATOM 29778 H2 TIP3 7928 16.325 -6.638 -10.398 0.00 0.00 SOLV ATOM 29779 OH2 TIP3 7929 26.804 14.520 -36.178 0.00 0.00 SOLV ATOM 29780 H1 TIP3 7929 26.305 15.058 -36.705 0.00 0.00 SOLV ATOM 29781 H2 TIP3 7929 26.209 14.488 -35.403 0.00 0.00 SOLV ATOM 29782 OH2 TIP3 7930 35.245 12.174 -11.985 0.00 0.00 SOLV ATOM 29783 H1 TIP3 7930 35.691 12.867 -11.420 0.00 0.00 SOLV ATOM 29784 H2 TIP3 7930 34.308 12.286 -11.756 0.00 0.00 SOLV ATOM 29785 OH2 TIP3 7931 28.984 -2.506 -28.209 0.00 0.00 SOLV ATOM 29786 H1 TIP3 7931 28.485 -1.635 -28.185 0.00 0.00 SOLV ATOM 29787 H2 TIP3 7931 29.481 -2.538 -27.384 0.00 0.00 SOLV ATOM 29788 OH2 TIP3 7932 27.098 15.927 -11.216 0.00 0.00 SOLV ATOM 29789 H1 TIP3 7932 26.377 15.715 -10.623 0.00 0.00 SOLV ATOM 29790 H2 TIP3 7932 27.381 15.048 -11.491 0.00 0.00 SOLV ATOM 29791 OH2 TIP3 7933 33.661 12.974 -8.061 0.00 0.00 SOLV ATOM 29792 H1 TIP3 7933 34.594 13.246 -8.122 0.00 0.00 SOLV ATOM 29793 H2 TIP3 7933 33.343 13.046 -8.968 0.00 0.00 SOLV ATOM 29794 OH2 TIP3 7934 31.809 16.346 -40.388 0.00 0.00 SOLV ATOM 29795 H1 TIP3 7934 32.653 16.685 -40.728 0.00 0.00 SOLV ATOM 29796 H2 TIP3 7934 31.680 17.034 -39.723 0.00 0.00 SOLV ATOM 29797 OH2 TIP3 7935 30.275 8.281 -38.097 0.00 0.00 SOLV ATOM 29798 H1 TIP3 7935 29.623 7.502 -38.027 0.00 0.00 SOLV ATOM 29799 H2 TIP3 7935 29.603 8.984 -38.379 0.00 0.00 SOLV ATOM 29800 OH2 TIP3 7936 35.760 11.732 -38.133 0.00 0.00 SOLV ATOM 29801 H1 TIP3 7936 35.099 12.289 -38.542 0.00 0.00 SOLV ATOM 29802 H2 TIP3 7936 35.296 11.115 -37.569 0.00 0.00 SOLV ATOM 29803 OH2 TIP3 7937 21.533 21.740 -13.878 0.00 0.00 SOLV ATOM 29804 H1 TIP3 7937 21.455 22.700 -13.865 0.00 0.00 SOLV ATOM 29805 H2 TIP3 7937 21.407 21.522 -12.940 0.00 0.00 SOLV ATOM 29806 OH2 TIP3 7938 33.729 14.768 -37.642 0.00 0.00 SOLV ATOM 29807 H1 TIP3 7938 33.451 14.243 -36.897 0.00 0.00 SOLV ATOM 29808 H2 TIP3 7938 33.278 15.611 -37.500 0.00 0.00 SOLV ATOM 29809 OH2 TIP3 7939 40.229 13.818 -33.011 0.00 0.00 SOLV ATOM 29810 H1 TIP3 7939 39.433 14.250 -33.243 0.00 0.00 SOLV ATOM 29811 H2 TIP3 7939 40.736 14.107 -33.733 0.00 0.00 SOLV ATOM 29812 OH2 TIP3 7940 2.868 -6.858 -32.991 0.00 0.00 SOLV ATOM 29813 H1 TIP3 7940 3.132 -7.092 -33.907 0.00 0.00 SOLV ATOM 29814 H2 TIP3 7940 3.346 -7.525 -32.442 0.00 0.00 SOLV ATOM 29815 OH2 TIP3 7941 3.022 7.262 -36.649 0.00 0.00 SOLV ATOM 29816 H1 TIP3 7941 3.229 6.343 -36.470 0.00 0.00 SOLV ATOM 29817 H2 TIP3 7941 2.282 7.535 -36.062 0.00 0.00 SOLV ATOM 29818 OH2 TIP3 7942 20.146 1.030 -10.018 0.00 0.00 SOLV ATOM 29819 H1 TIP3 7942 19.213 1.116 -10.079 0.00 0.00 SOLV ATOM 29820 H2 TIP3 7942 20.369 1.762 -9.392 0.00 0.00 SOLV ATOM 29821 OH2 TIP3 7943 33.844 16.089 -47.098 0.00 0.00 SOLV ATOM 29822 H1 TIP3 7943 33.809 15.267 -46.565 0.00 0.00 SOLV ATOM 29823 H2 TIP3 7943 34.489 16.583 -46.619 0.00 0.00 SOLV ATOM 29824 OH2 TIP3 7944 28.996 10.897 -50.051 0.00 0.00 SOLV ATOM 29825 H1 TIP3 7944 28.378 10.832 -50.821 0.00 0.00 SOLV ATOM 29826 H2 TIP3 7944 29.758 10.505 -50.390 0.00 0.00 SOLV ATOM 29827 OH2 TIP3 7945 34.342 -10.090 -35.487 0.00 0.00 SOLV ATOM 29828 H1 TIP3 7945 34.174 -10.494 -34.543 0.00 0.00 SOLV ATOM 29829 H2 TIP3 7945 33.566 -10.283 -36.052 0.00 0.00 SOLV ATOM 29830 OH2 TIP3 7946 28.161 -15.732 -26.480 0.00 0.00 SOLV ATOM 29831 H1 TIP3 7946 29.116 -15.893 -26.610 0.00 0.00 SOLV ATOM 29832 H2 TIP3 7946 28.089 -15.080 -25.807 0.00 0.00 SOLV ATOM 29833 OH2 TIP3 7947 25.498 -6.962 -48.312 0.00 0.00 SOLV ATOM 29834 H1 TIP3 7947 24.799 -6.282 -48.578 0.00 0.00 SOLV ATOM 29835 H2 TIP3 7947 24.898 -7.699 -48.062 0.00 0.00 SOLV ATOM 29836 OH2 TIP3 7948 35.133 -5.079 -35.652 0.00 0.00 SOLV ATOM 29837 H1 TIP3 7948 35.187 -4.123 -35.297 0.00 0.00 SOLV ATOM 29838 H2 TIP3 7948 34.589 -5.008 -36.409 0.00 0.00 SOLV ATOM 29839 OH2 TIP3 7949 32.111 -14.075 -30.864 0.00 0.00 SOLV ATOM 29840 H1 TIP3 7949 32.868 -14.147 -31.501 0.00 0.00 SOLV ATOM 29841 H2 TIP3 7949 32.609 -13.997 -30.013 0.00 0.00 SOLV ATOM 29842 OH2 TIP3 7950 25.797 -17.282 -26.873 0.00 0.00 SOLV ATOM 29843 H1 TIP3 7950 26.570 -16.828 -26.446 0.00 0.00 SOLV ATOM 29844 H2 TIP3 7950 25.476 -17.939 -26.226 0.00 0.00 SOLV ATOM 29845 OH2 TIP3 7951 34.299 -9.834 -22.826 0.00 0.00 SOLV ATOM 29846 H1 TIP3 7951 33.700 -10.154 -22.109 0.00 0.00 SOLV ATOM 29847 H2 TIP3 7951 35.154 -9.903 -22.423 0.00 0.00 SOLV ATOM 29848 OH2 TIP3 7952 26.150 -17.521 -36.995 0.00 0.00 SOLV ATOM 29849 H1 TIP3 7952 26.302 -18.138 -37.652 0.00 0.00 SOLV ATOM 29850 H2 TIP3 7952 26.181 -18.024 -36.147 0.00 0.00 SOLV ATOM 29851 OH2 TIP3 7953 21.752 12.231 -15.804 0.00 0.00 SOLV ATOM 29852 H1 TIP3 7953 21.599 11.791 -14.915 0.00 0.00 SOLV ATOM 29853 H2 TIP3 7953 22.758 12.312 -15.888 0.00 0.00 SOLV ATOM 29854 OH2 TIP3 7954 32.238 -1.657 -43.565 0.00 0.00 SOLV ATOM 29855 H1 TIP3 7954 31.682 -0.901 -43.487 0.00 0.00 SOLV ATOM 29856 H2 TIP3 7954 32.868 -1.503 -42.819 0.00 0.00 SOLV ATOM 29857 OH2 TIP3 7955 31.684 -8.308 -28.082 0.00 0.00 SOLV ATOM 29858 H1 TIP3 7955 32.577 -8.598 -28.368 0.00 0.00 SOLV ATOM 29859 H2 TIP3 7955 31.292 -7.872 -28.844 0.00 0.00 SOLV ATOM 29860 OH2 TIP3 7956 34.698 -4.570 -24.948 0.00 0.00 SOLV ATOM 29861 H1 TIP3 7956 35.194 -5.403 -25.204 0.00 0.00 SOLV ATOM 29862 H2 TIP3 7956 33.821 -4.650 -25.480 0.00 0.00 SOLV ATOM 29863 OH2 TIP3 7957 26.283 -13.391 -10.736 0.00 0.00 SOLV ATOM 29864 H1 TIP3 7957 26.392 -13.367 -11.670 0.00 0.00 SOLV ATOM 29865 H2 TIP3 7957 26.413 -14.317 -10.528 0.00 0.00 SOLV ATOM 29866 OH2 TIP3 7958 25.892 -11.434 -6.474 0.00 0.00 SOLV ATOM 29867 H1 TIP3 7958 25.848 -11.447 -5.536 0.00 0.00 SOLV ATOM 29868 H2 TIP3 7958 26.411 -12.261 -6.602 0.00 0.00 SOLV ATOM 29869 OH2 TIP3 7959 32.668 5.464 -41.481 0.00 0.00 SOLV ATOM 29870 H1 TIP3 7959 31.848 5.389 -42.106 0.00 0.00 SOLV ATOM 29871 H2 TIP3 7959 32.521 6.368 -41.139 0.00 0.00 SOLV ATOM 29872 OH2 TIP3 7960 31.531 -11.949 -41.520 0.00 0.00 SOLV ATOM 29873 H1 TIP3 7960 30.678 -12.267 -41.249 0.00 0.00 SOLV ATOM 29874 H2 TIP3 7960 31.616 -11.040 -41.232 0.00 0.00 SOLV ATOM 29875 OH2 TIP3 7961 34.757 11.728 -29.740 0.00 0.00 SOLV ATOM 29876 H1 TIP3 7961 34.293 12.526 -29.978 0.00 0.00 SOLV ATOM 29877 H2 TIP3 7961 34.164 11.460 -29.015 0.00 0.00 SOLV ATOM 29878 OH2 TIP3 7962 27.953 -1.822 -39.647 0.00 0.00 SOLV ATOM 29879 H1 TIP3 7962 27.490 -1.136 -39.171 0.00 0.00 SOLV ATOM 29880 H2 TIP3 7962 28.729 -2.015 -39.163 0.00 0.00 SOLV ATOM 29881 OH2 TIP3 7963 42.858 -0.352 -21.657 0.00 0.00 SOLV ATOM 29882 H1 TIP3 7963 42.638 -1.274 -21.660 0.00 0.00 SOLV ATOM 29883 H2 TIP3 7963 42.653 0.004 -20.733 0.00 0.00 SOLV ATOM 29884 OH2 TIP3 7964 29.680 -11.067 -17.064 0.00 0.00 SOLV ATOM 29885 H1 TIP3 7964 30.197 -10.313 -17.333 0.00 0.00 SOLV ATOM 29886 H2 TIP3 7964 30.017 -11.786 -17.604 0.00 0.00 SOLV ATOM 29887 OH2 TIP3 7965 28.955 -14.297 -13.254 0.00 0.00 SOLV ATOM 29888 H1 TIP3 7965 29.430 -14.639 -14.032 0.00 0.00 SOLV ATOM 29889 H2 TIP3 7965 28.142 -13.919 -13.651 0.00 0.00 SOLV ATOM 29890 OH2 TIP3 7966 26.222 5.208 1.654 0.00 0.00 SOLV ATOM 29891 H1 TIP3 7966 26.385 4.997 0.708 0.00 0.00 SOLV ATOM 29892 H2 TIP3 7966 25.273 5.390 1.680 0.00 0.00 SOLV ATOM 29893 OH2 TIP3 7967 33.458 -4.579 -41.754 0.00 0.00 SOLV ATOM 29894 H1 TIP3 7967 34.270 -4.110 -41.743 0.00 0.00 SOLV ATOM 29895 H2 TIP3 7967 33.838 -5.386 -42.104 0.00 0.00 SOLV ATOM 29896 OH2 TIP3 7968 28.753 -9.922 -29.034 0.00 0.00 SOLV ATOM 29897 H1 TIP3 7968 29.524 -9.836 -29.533 0.00 0.00 SOLV ATOM 29898 H2 TIP3 7968 28.339 -10.699 -29.420 0.00 0.00 SOLV ATOM 29899 OH2 TIP3 7969 31.361 21.300 -21.707 0.00 0.00 SOLV ATOM 29900 H1 TIP3 7969 31.699 22.114 -21.252 0.00 0.00 SOLV ATOM 29901 H2 TIP3 7969 30.522 21.146 -21.373 0.00 0.00 SOLV ATOM 29902 OH2 TIP3 7970 33.923 -9.286 -29.343 0.00 0.00 SOLV ATOM 29903 H1 TIP3 7970 34.410 -9.449 -30.219 0.00 0.00 SOLV ATOM 29904 H2 TIP3 7970 34.621 -9.009 -28.666 0.00 0.00 SOLV ATOM 29905 OH2 TIP3 7971 29.501 -7.652 -9.924 0.00 0.00 SOLV ATOM 29906 H1 TIP3 7971 28.606 -7.432 -9.792 0.00 0.00 SOLV ATOM 29907 H2 TIP3 7971 29.484 -8.432 -10.471 0.00 0.00 SOLV ATOM 29908 OH2 TIP3 7972 29.345 -10.309 -20.417 0.00 0.00 SOLV ATOM 29909 H1 TIP3 7972 28.893 -9.483 -20.112 0.00 0.00 SOLV ATOM 29910 H2 TIP3 7972 28.630 -10.860 -20.791 0.00 0.00 SOLV ATOM 29911 OH2 TIP3 7973 28.529 -3.774 -11.804 0.00 0.00 SOLV ATOM 29912 H1 TIP3 7973 28.935 -3.701 -12.680 0.00 0.00 SOLV ATOM 29913 H2 TIP3 7973 29.287 -4.110 -11.304 0.00 0.00 SOLV ATOM 29914 OH2 TIP3 7974 29.328 -7.822 -33.351 0.00 0.00 SOLV ATOM 29915 H1 TIP3 7974 29.752 -8.665 -33.091 0.00 0.00 SOLV ATOM 29916 H2 TIP3 7974 28.649 -8.071 -34.018 0.00 0.00 SOLV ATOM 29917 OH2 TIP3 7975 30.252 -4.484 -34.162 0.00 0.00 SOLV ATOM 29918 H1 TIP3 7975 30.700 -5.279 -34.366 0.00 0.00 SOLV ATOM 29919 H2 TIP3 7975 29.418 -4.765 -33.831 0.00 0.00 SOLV ATOM 29920 OH2 TIP3 7976 27.759 -11.024 -9.465 0.00 0.00 SOLV ATOM 29921 H1 TIP3 7976 28.103 -11.872 -9.731 0.00 0.00 SOLV ATOM 29922 H2 TIP3 7976 28.066 -10.966 -8.596 0.00 0.00 SOLV ATOM 29923 OH2 TIP3 7977 33.988 -3.371 -11.193 0.00 0.00 SOLV ATOM 29924 H1 TIP3 7977 34.364 -3.928 -11.865 0.00 0.00 SOLV ATOM 29925 H2 TIP3 7977 33.718 -4.001 -10.549 0.00 0.00 SOLV ATOM 29926 OH2 TIP3 7978 32.058 -7.498 -24.862 0.00 0.00 SOLV ATOM 29927 H1 TIP3 7978 32.380 -8.324 -25.273 0.00 0.00 SOLV ATOM 29928 H2 TIP3 7978 31.920 -7.736 -23.962 0.00 0.00 SOLV ATOM 29929 OH2 TIP3 7979 36.392 0.695 -26.738 0.00 0.00 SOLV ATOM 29930 H1 TIP3 7979 36.301 -0.276 -26.723 0.00 0.00 SOLV ATOM 29931 H2 TIP3 7979 36.989 0.940 -27.444 0.00 0.00 SOLV ATOM 29932 OH2 TIP3 7980 25.202 -6.999 -0.608 0.00 0.00 SOLV ATOM 29933 H1 TIP3 7980 24.656 -6.318 -0.203 0.00 0.00 SOLV ATOM 29934 H2 TIP3 7980 25.113 -6.701 -1.556 0.00 0.00 SOLV ATOM 29935 OH2 TIP3 7981 35.675 -4.055 -17.517 0.00 0.00 SOLV ATOM 29936 H1 TIP3 7981 34.940 -4.210 -18.108 0.00 0.00 SOLV ATOM 29937 H2 TIP3 7981 35.819 -4.914 -17.101 0.00 0.00 SOLV ATOM 29938 OH2 TIP3 7982 36.869 -6.657 -16.593 0.00 0.00 SOLV ATOM 29939 H1 TIP3 7982 37.473 -7.201 -17.153 0.00 0.00 SOLV ATOM 29940 H2 TIP3 7982 37.403 -6.451 -15.847 0.00 0.00 SOLV ATOM 29941 OH2 TIP3 7983 24.622 -1.808 -3.767 0.00 0.00 SOLV ATOM 29942 H1 TIP3 7983 25.335 -1.248 -3.470 0.00 0.00 SOLV ATOM 29943 H2 TIP3 7983 25.167 -2.501 -4.257 0.00 0.00 SOLV ATOM 29944 OH2 TIP3 7984 30.238 -4.752 -22.064 0.00 0.00 SOLV ATOM 29945 H1 TIP3 7984 29.475 -4.394 -22.496 0.00 0.00 SOLV ATOM 29946 H2 TIP3 7984 30.110 -5.691 -22.261 0.00 0.00 SOLV ATOM 29947 OH2 TIP3 7985 33.436 7.785 -47.154 0.00 0.00 SOLV ATOM 29948 H1 TIP3 7985 32.714 7.799 -46.479 0.00 0.00 SOLV ATOM 29949 H2 TIP3 7985 34.060 8.455 -46.840 0.00 0.00 SOLV ATOM 29950 OH2 TIP3 7986 31.553 -2.652 -6.150 0.00 0.00 SOLV ATOM 29951 H1 TIP3 7986 32.428 -2.761 -5.740 0.00 0.00 SOLV ATOM 29952 H2 TIP3 7986 31.264 -3.575 -6.259 0.00 0.00 SOLV ATOM 29953 OH2 TIP3 7987 35.876 -3.134 -41.705 0.00 0.00 SOLV ATOM 29954 H1 TIP3 7987 35.722 -2.156 -41.733 0.00 0.00 SOLV ATOM 29955 H2 TIP3 7987 36.683 -3.210 -41.177 0.00 0.00 SOLV ATOM 29956 OH2 TIP3 7988 32.908 11.274 -39.232 0.00 0.00 SOLV ATOM 29957 H1 TIP3 7988 32.704 10.654 -39.894 0.00 0.00 SOLV ATOM 29958 H2 TIP3 7988 32.675 10.819 -38.339 0.00 0.00 SOLV ATOM 29959 OH2 TIP3 7989 34.983 9.782 -44.075 0.00 0.00 SOLV ATOM 29960 H1 TIP3 7989 35.124 9.074 -43.462 0.00 0.00 SOLV ATOM 29961 H2 TIP3 7989 35.236 9.357 -44.920 0.00 0.00 SOLV ATOM 29962 OH2 TIP3 7990 42.891 5.420 -24.962 0.00 0.00 SOLV ATOM 29963 H1 TIP3 7990 43.121 5.930 -25.747 0.00 0.00 SOLV ATOM 29964 H2 TIP3 7990 42.236 6.028 -24.565 0.00 0.00 SOLV ATOM 29965 OH2 TIP3 7991 37.511 11.037 -9.426 0.00 0.00 SOLV ATOM 29966 H1 TIP3 7991 37.059 11.590 -8.738 0.00 0.00 SOLV ATOM 29967 H2 TIP3 7991 37.892 11.647 -10.042 0.00 0.00 SOLV ATOM 29968 OH2 TIP3 7992 36.840 -10.942 -13.958 0.00 0.00 SOLV ATOM 29969 H1 TIP3 7992 36.408 -11.653 -14.494 0.00 0.00 SOLV ATOM 29970 H2 TIP3 7992 36.263 -11.052 -13.122 0.00 0.00 SOLV ATOM 29971 OH2 TIP3 7993 28.580 2.698 -1.282 0.00 0.00 SOLV ATOM 29972 H1 TIP3 7993 29.370 3.204 -1.022 0.00 0.00 SOLV ATOM 29973 H2 TIP3 7993 28.983 1.887 -1.644 0.00 0.00 SOLV ATOM 29974 OH2 TIP3 7994 27.872 14.049 -45.638 0.00 0.00 SOLV ATOM 29975 H1 TIP3 7994 27.521 13.733 -46.458 0.00 0.00 SOLV ATOM 29976 H2 TIP3 7994 27.136 14.546 -45.253 0.00 0.00 SOLV ATOM 29977 OH2 TIP3 7995 39.817 11.419 -36.127 0.00 0.00 SOLV ATOM 29978 H1 TIP3 7995 39.152 10.712 -35.946 0.00 0.00 SOLV ATOM 29979 H2 TIP3 7995 40.639 11.107 -35.696 0.00 0.00 SOLV ATOM 29980 OH2 TIP3 7996 29.556 14.478 -39.790 0.00 0.00 SOLV ATOM 29981 H1 TIP3 7996 30.369 15.031 -39.886 0.00 0.00 SOLV ATOM 29982 H2 TIP3 7996 29.004 14.627 -40.638 0.00 0.00 SOLV ATOM 29983 OH2 TIP3 7997 30.316 -1.795 -34.694 0.00 0.00 SOLV ATOM 29984 H1 TIP3 7997 29.742 -1.660 -35.365 0.00 0.00 SOLV ATOM 29985 H2 TIP3 7997 30.308 -2.751 -34.471 0.00 0.00 SOLV ATOM 29986 OH2 TIP3 7998 33.200 8.767 -20.579 0.00 0.00 SOLV ATOM 29987 H1 TIP3 7998 33.111 8.292 -19.719 0.00 0.00 SOLV ATOM 29988 H2 TIP3 7998 32.236 8.859 -20.728 0.00 0.00 SOLV ATOM 29989 OH2 TIP3 7999 41.033 8.812 -13.905 0.00 0.00 SOLV ATOM 29990 H1 TIP3 7999 40.063 8.785 -13.823 0.00 0.00 SOLV ATOM 29991 H2 TIP3 7999 41.199 9.154 -14.812 0.00 0.00 SOLV ATOM 29992 OH2 TIP3 8000 21.921 -10.117 -24.681 0.00 0.00 SOLV ATOM 29993 H1 TIP3 8000 22.881 -10.220 -24.795 0.00 0.00 SOLV ATOM 29994 H2 TIP3 8000 21.872 -9.901 -23.796 0.00 0.00 SOLV ATOM 29995 OH2 TIP3 8001 37.722 8.134 -7.860 0.00 0.00 SOLV ATOM 29996 H1 TIP3 8001 38.424 8.462 -7.281 0.00 0.00 SOLV ATOM 29997 H2 TIP3 8001 37.757 8.824 -8.494 0.00 0.00 SOLV ATOM 29998 OH2 TIP3 8002 28.614 -0.921 -32.202 0.00 0.00 SOLV ATOM 29999 H1 TIP3 8002 28.978 -0.987 -33.128 0.00 0.00 SOLV ATOM 30000 H2 TIP3 8002 28.909 -1.755 -31.839 0.00 0.00 SOLV ATOM 30001 OH2 TIP3 8003 30.484 -7.436 -7.392 0.00 0.00 SOLV ATOM 30002 H1 TIP3 8003 30.361 -7.378 -8.372 0.00 0.00 SOLV ATOM 30003 H2 TIP3 8003 29.696 -7.939 -7.094 0.00 0.00 SOLV ATOM 30004 OH2 TIP3 8004 26.519 4.528 -1.401 0.00 0.00 SOLV ATOM 30005 H1 TIP3 8004 27.389 5.031 -1.526 0.00 0.00 SOLV ATOM 30006 H2 TIP3 8004 26.772 3.603 -1.531 0.00 0.00 SOLV ATOM 30007 OH2 TIP3 8005 31.073 4.563 -49.459 0.00 0.00 SOLV ATOM 30008 H1 TIP3 8005 30.661 4.423 -48.600 0.00 0.00 SOLV ATOM 30009 H2 TIP3 8005 31.917 5.039 -49.242 0.00 0.00 SOLV ATOM 30010 OH2 TIP3 8006 32.019 8.197 -40.122 0.00 0.00 SOLV ATOM 30011 H1 TIP3 8006 31.253 8.271 -39.559 0.00 0.00 SOLV ATOM 30012 H2 TIP3 8006 31.861 8.778 -40.832 0.00 0.00 SOLV ATOM 30013 OH2 TIP3 8007 14.701 26.371 -27.827 0.00 0.00 SOLV ATOM 30014 H1 TIP3 8007 14.145 25.649 -28.079 0.00 0.00 SOLV ATOM 30015 H2 TIP3 8007 15.476 26.326 -28.438 0.00 0.00 SOLV ATOM 30016 OH2 TIP3 8008 27.402 14.192 -42.244 0.00 0.00 SOLV ATOM 30017 H1 TIP3 8008 27.209 14.884 -42.850 0.00 0.00 SOLV ATOM 30018 H2 TIP3 8008 27.469 13.382 -42.703 0.00 0.00 SOLV ATOM 30019 OH2 TIP3 8009 29.955 6.602 -10.392 0.00 0.00 SOLV ATOM 30020 H1 TIP3 8009 29.775 6.841 -9.494 0.00 0.00 SOLV ATOM 30021 H2 TIP3 8009 30.713 5.953 -10.322 0.00 0.00 SOLV ATOM 30022 OH2 TIP3 8010 29.267 -2.765 -3.703 0.00 0.00 SOLV ATOM 30023 H1 TIP3 8010 29.651 -2.327 -2.909 0.00 0.00 SOLV ATOM 30024 H2 TIP3 8010 30.099 -3.014 -4.164 0.00 0.00 SOLV ATOM 30025 OH2 TIP3 8011 27.951 13.442 -11.764 0.00 0.00 SOLV ATOM 30026 H1 TIP3 8011 28.044 12.928 -12.628 0.00 0.00 SOLV ATOM 30027 H2 TIP3 8011 27.366 12.868 -11.273 0.00 0.00 SOLV ATOM 30028 OH2 TIP3 8012 1.217 2.940 -8.894 0.00 0.00 SOLV ATOM 30029 H1 TIP3 8012 1.497 3.485 -8.138 0.00 0.00 SOLV ATOM 30030 H2 TIP3 8012 1.829 2.206 -9.000 0.00 0.00 SOLV ATOM 30031 OH2 TIP3 8013 27.621 4.629 -49.657 0.00 0.00 SOLV ATOM 30032 H1 TIP3 8013 27.426 5.293 -49.034 0.00 0.00 SOLV ATOM 30033 H2 TIP3 8013 27.580 5.082 -50.506 0.00 0.00 SOLV ATOM 30034 OH2 TIP3 8014 21.417 -3.430 -20.272 0.00 0.00 SOLV ATOM 30035 H1 TIP3 8014 22.232 -2.947 -20.091 0.00 0.00 SOLV ATOM 30036 H2 TIP3 8014 20.772 -2.984 -19.827 0.00 0.00 SOLV ATOM 30037 OH2 TIP3 8015 36.981 12.753 -33.779 0.00 0.00 SOLV ATOM 30038 H1 TIP3 8015 36.247 13.359 -33.724 0.00 0.00 SOLV ATOM 30039 H2 TIP3 8015 37.383 13.059 -34.622 0.00 0.00 SOLV ATOM 30040 OH2 TIP3 8016 32.113 10.843 -33.426 0.00 0.00 SOLV ATOM 30041 H1 TIP3 8016 32.398 10.966 -32.532 0.00 0.00 SOLV ATOM 30042 H2 TIP3 8016 32.620 10.058 -33.595 0.00 0.00 SOLV ATOM 30043 OH2 TIP3 8017 38.281 5.618 -9.807 0.00 0.00 SOLV ATOM 30044 H1 TIP3 8017 37.803 6.088 -9.082 0.00 0.00 SOLV ATOM 30045 H2 TIP3 8017 39.027 6.170 -10.040 0.00 0.00 SOLV ATOM 30046 OH2 TIP3 8018 26.483 13.836 -50.226 0.00 0.00 SOLV ATOM 30047 H1 TIP3 8018 27.217 13.461 -49.719 0.00 0.00 SOLV ATOM 30048 H2 TIP3 8018 26.946 14.225 -50.970 0.00 0.00 SOLV ATOM 30049 OH2 TIP3 8019 34.119 13.774 -40.171 0.00 0.00 SOLV ATOM 30050 H1 TIP3 8019 33.715 12.929 -40.040 0.00 0.00 SOLV ATOM 30051 H2 TIP3 8019 33.777 14.327 -39.412 0.00 0.00 SOLV ATOM 30052 OH2 TIP3 8020 31.221 7.110 -30.898 0.00 0.00 SOLV ATOM 30053 H1 TIP3 8020 31.826 7.878 -30.671 0.00 0.00 SOLV ATOM 30054 H2 TIP3 8020 31.923 6.412 -30.951 0.00 0.00 SOLV ATOM 30055 OH2 TIP3 8021 29.339 16.021 -9.438 0.00 0.00 SOLV ATOM 30056 H1 TIP3 8021 30.008 15.541 -10.054 0.00 0.00 SOLV ATOM 30057 H2 TIP3 8021 28.518 16.051 -9.968 0.00 0.00 SOLV ATOM 30058 OH2 TIP3 8022 32.716 4.721 -25.585 0.00 0.00 SOLV ATOM 30059 H1 TIP3 8022 33.035 5.599 -25.199 0.00 0.00 SOLV ATOM 30060 H2 TIP3 8022 32.463 4.866 -26.509 0.00 0.00 SOLV ATOM 30061 OH2 TIP3 8023 25.119 15.447 -9.032 0.00 0.00 SOLV ATOM 30062 H1 TIP3 8023 24.358 15.336 -9.595 0.00 0.00 SOLV ATOM 30063 H2 TIP3 8023 24.753 16.106 -8.339 0.00 0.00 SOLV ATOM 30064 OH2 TIP3 8024 34.885 9.878 -8.635 0.00 0.00 SOLV ATOM 30065 H1 TIP3 8024 35.674 10.019 -9.224 0.00 0.00 SOLV ATOM 30066 H2 TIP3 8024 34.280 10.646 -8.775 0.00 0.00 SOLV ATOM 30067 OH2 TIP3 8025 35.586 15.686 -7.715 0.00 0.00 SOLV ATOM 30068 H1 TIP3 8025 36.300 16.330 -7.573 0.00 0.00 SOLV ATOM 30069 H2 TIP3 8025 35.270 15.546 -6.807 0.00 0.00 SOLV ATOM 30070 OH2 TIP3 8026 30.533 16.416 -13.112 0.00 0.00 SOLV ATOM 30071 H1 TIP3 8026 29.711 16.797 -13.397 0.00 0.00 SOLV ATOM 30072 H2 TIP3 8026 30.797 15.903 -13.921 0.00 0.00 SOLV ATOM 30073 OH2 TIP3 8027 24.558 13.246 -13.554 0.00 0.00 SOLV ATOM 30074 H1 TIP3 8027 24.162 13.081 -14.448 0.00 0.00 SOLV ATOM 30075 H2 TIP3 8027 25.319 13.860 -13.728 0.00 0.00 SOLV ATOM 30076 OH2 TIP3 8028 38.215 14.048 -13.391 0.00 0.00 SOLV ATOM 30077 H1 TIP3 8028 39.098 13.722 -13.578 0.00 0.00 SOLV ATOM 30078 H2 TIP3 8028 37.650 13.614 -14.079 0.00 0.00 SOLV ATOM 30079 OH2 TIP3 8029 25.243 -9.358 0.846 0.00 0.00 SOLV ATOM 30080 H1 TIP3 8029 25.467 -10.281 0.523 0.00 0.00 SOLV ATOM 30081 H2 TIP3 8029 24.848 -8.943 0.114 0.00 0.00 SOLV ATOM 30082 OH2 TIP3 8030 29.858 -17.446 -35.181 0.00 0.00 SOLV ATOM 30083 H1 TIP3 8030 29.043 -17.212 -34.665 0.00 0.00 SOLV ATOM 30084 H2 TIP3 8030 29.431 -18.086 -35.821 0.00 0.00 SOLV ATOM 30085 OH2 TIP3 8031 28.948 -14.433 -36.107 0.00 0.00 SOLV ATOM 30086 H1 TIP3 8031 28.769 -15.197 -36.661 0.00 0.00 SOLV ATOM 30087 H2 TIP3 8031 28.427 -13.681 -36.554 0.00 0.00 SOLV ATOM 30088 OH2 TIP3 8032 26.678 -7.811 -17.091 0.00 0.00 SOLV ATOM 30089 H1 TIP3 8032 25.803 -7.897 -16.705 0.00 0.00 SOLV ATOM 30090 H2 TIP3 8032 27.261 -8.336 -16.491 0.00 0.00 SOLV ATOM 30091 OH2 TIP3 8033 34.882 4.338 -34.420 0.00 0.00 SOLV ATOM 30092 H1 TIP3 8033 35.264 4.468 -35.338 0.00 0.00 SOLV ATOM 30093 H2 TIP3 8033 33.952 4.084 -34.650 0.00 0.00 SOLV ATOM 30094 OH2 TIP3 8034 42.757 -2.224 -18.660 0.00 0.00 SOLV ATOM 30095 H1 TIP3 8034 43.667 -2.235 -19.047 0.00 0.00 SOLV ATOM 30096 H2 TIP3 8034 42.837 -1.683 -17.844 0.00 0.00 SOLV ATOM 30097 OH2 TIP3 8035 29.691 -17.955 -24.656 0.00 0.00 SOLV ATOM 30098 H1 TIP3 8035 30.456 -17.972 -25.316 0.00 0.00 SOLV ATOM 30099 H2 TIP3 8035 29.085 -18.619 -25.059 0.00 0.00 SOLV ATOM 30100 OH2 TIP3 8036 25.767 -18.830 -17.023 0.00 0.00 SOLV ATOM 30101 H1 TIP3 8036 25.803 -19.678 -17.445 0.00 0.00 SOLV ATOM 30102 H2 TIP3 8036 24.976 -18.477 -17.406 0.00 0.00 SOLV ATOM 30103 OH2 TIP3 8037 25.433 -15.503 -15.555 0.00 0.00 SOLV ATOM 30104 H1 TIP3 8037 24.776 -16.186 -15.543 0.00 0.00 SOLV ATOM 30105 H2 TIP3 8037 24.962 -14.703 -15.199 0.00 0.00 SOLV ATOM 30106 OH2 TIP3 8038 26.087 -14.285 -28.218 0.00 0.00 SOLV ATOM 30107 H1 TIP3 8038 25.599 -15.060 -28.519 0.00 0.00 SOLV ATOM 30108 H2 TIP3 8038 26.670 -14.653 -27.522 0.00 0.00 SOLV ATOM 30109 OH2 TIP3 8039 27.005 -9.784 -33.168 0.00 0.00 SOLV ATOM 30110 H1 TIP3 8039 26.872 -8.912 -33.580 0.00 0.00 SOLV ATOM 30111 H2 TIP3 8039 26.414 -9.737 -32.357 0.00 0.00 SOLV ATOM 30112 OH2 TIP3 8040 33.249 2.984 -31.502 0.00 0.00 SOLV ATOM 30113 H1 TIP3 8040 33.639 2.334 -30.927 0.00 0.00 SOLV ATOM 30114 H2 TIP3 8040 33.585 3.822 -31.241 0.00 0.00 SOLV ATOM 30115 OH2 TIP3 8041 35.713 -7.523 -24.460 0.00 0.00 SOLV ATOM 30116 H1 TIP3 8041 34.898 -7.966 -24.061 0.00 0.00 SOLV ATOM 30117 H2 TIP3 8041 36.286 -8.284 -24.581 0.00 0.00 SOLV ATOM 30118 OH2 TIP3 8042 33.801 -4.398 -8.123 0.00 0.00 SOLV ATOM 30119 H1 TIP3 8042 32.844 -4.351 -8.169 0.00 0.00 SOLV ATOM 30120 H2 TIP3 8042 33.996 -5.372 -8.404 0.00 0.00 SOLV ATOM 30121 OH2 TIP3 8043 35.285 -3.596 -14.039 0.00 0.00 SOLV ATOM 30122 H1 TIP3 8043 36.050 -3.951 -14.449 0.00 0.00 SOLV ATOM 30123 H2 TIP3 8043 34.601 -3.443 -14.750 0.00 0.00 SOLV ATOM 30124 OH2 TIP3 8044 31.195 -4.209 -13.814 0.00 0.00 SOLV ATOM 30125 H1 TIP3 8044 30.472 -4.348 -14.443 0.00 0.00 SOLV ATOM 30126 H2 TIP3 8044 31.829 -4.913 -14.081 0.00 0.00 SOLV ATOM 30127 OH2 TIP3 8045 32.811 -8.419 -6.612 0.00 0.00 SOLV ATOM 30128 H1 TIP3 8045 33.199 -8.852 -7.397 0.00 0.00 SOLV ATOM 30129 H2 TIP3 8045 31.920 -8.105 -6.880 0.00 0.00 SOLV ATOM 30130 OH2 TIP3 8046 27.504 -6.766 1.035 0.00 0.00 SOLV ATOM 30131 H1 TIP3 8046 26.817 -7.036 0.366 0.00 0.00 SOLV ATOM 30132 H2 TIP3 8046 27.612 -5.851 0.780 0.00 0.00 SOLV ATOM 30133 OH2 TIP3 8047 35.911 -8.164 -37.327 0.00 0.00 SOLV ATOM 30134 H1 TIP3 8047 35.516 -8.023 -36.495 0.00 0.00 SOLV ATOM 30135 H2 TIP3 8047 36.723 -7.674 -37.259 0.00 0.00 SOLV ATOM 30136 OH2 TIP3 8048 35.994 -7.072 -33.957 0.00 0.00 SOLV ATOM 30137 H1 TIP3 8048 36.905 -6.844 -33.813 0.00 0.00 SOLV ATOM 30138 H2 TIP3 8048 35.678 -6.269 -34.445 0.00 0.00 SOLV ATOM 30139 OH2 TIP3 8049 35.007 -8.276 -27.168 0.00 0.00 SOLV ATOM 30140 H1 TIP3 8049 34.655 -7.421 -27.000 0.00 0.00 SOLV ATOM 30141 H2 TIP3 8049 35.377 -8.627 -26.361 0.00 0.00 SOLV ATOM 30142 OH2 TIP3 8050 26.017 -11.945 -19.412 0.00 0.00 SOLV ATOM 30143 H1 TIP3 8050 26.398 -11.201 -19.939 0.00 0.00 SOLV ATOM 30144 H2 TIP3 8050 26.753 -12.133 -18.754 0.00 0.00 SOLV ATOM 30145 OH2 TIP3 8051 37.308 -8.612 -30.600 0.00 0.00 SOLV ATOM 30146 H1 TIP3 8051 36.527 -9.153 -30.942 0.00 0.00 SOLV ATOM 30147 H2 TIP3 8051 37.141 -7.668 -30.877 0.00 0.00 SOLV ATOM 30148 OH2 TIP3 8052 28.476 -4.535 -45.504 0.00 0.00 SOLV ATOM 30149 H1 TIP3 8052 28.836 -4.084 -44.774 0.00 0.00 SOLV ATOM 30150 H2 TIP3 8052 29.316 -4.647 -46.057 0.00 0.00 SOLV ATOM 30151 OH2 TIP3 8053 27.714 -7.702 -35.610 0.00 0.00 SOLV ATOM 30152 H1 TIP3 8053 27.158 -6.941 -35.310 0.00 0.00 SOLV ATOM 30153 H2 TIP3 8053 28.208 -7.353 -36.395 0.00 0.00 SOLV ATOM 30154 OH2 TIP3 8054 39.220 -1.816 -22.998 0.00 0.00 SOLV ATOM 30155 H1 TIP3 8054 38.486 -2.419 -23.067 0.00 0.00 SOLV ATOM 30156 H2 TIP3 8054 39.691 -2.139 -22.146 0.00 0.00 SOLV ATOM 30157 OH2 TIP3 8055 34.940 -0.413 -42.613 0.00 0.00 SOLV ATOM 30158 H1 TIP3 8055 34.529 0.432 -42.325 0.00 0.00 SOLV ATOM 30159 H2 TIP3 8055 35.377 -0.105 -43.440 0.00 0.00 SOLV ATOM 30160 OH2 TIP3 8056 28.086 -13.220 -25.007 0.00 0.00 SOLV ATOM 30161 H1 TIP3 8056 29.026 -13.052 -24.681 0.00 0.00 SOLV ATOM 30162 H2 TIP3 8056 27.894 -12.464 -25.587 0.00 0.00 SOLV ATOM 30163 OH2 TIP3 8057 26.538 2.741 -4.714 0.00 0.00 SOLV ATOM 30164 H1 TIP3 8057 26.878 1.874 -4.404 0.00 0.00 SOLV ATOM 30165 H2 TIP3 8057 27.378 3.324 -4.635 0.00 0.00 SOLV ATOM 30166 OH2 TIP3 8058 25.431 0.242 2.192 0.00 0.00 SOLV ATOM 30167 H1 TIP3 8058 24.782 -0.157 2.817 0.00 0.00 SOLV ATOM 30168 H2 TIP3 8058 25.129 -0.005 1.253 0.00 0.00 SOLV ATOM 30169 OH2 TIP3 8059 31.411 5.170 -45.791 0.00 0.00 SOLV ATOM 30170 H1 TIP3 8059 30.532 5.031 -46.212 0.00 0.00 SOLV ATOM 30171 H2 TIP3 8059 31.619 4.301 -45.463 0.00 0.00 SOLV ATOM 30172 OH2 TIP3 8060 37.382 -4.596 -38.824 0.00 0.00 SOLV ATOM 30173 H1 TIP3 8060 37.230 -5.589 -38.942 0.00 0.00 SOLV ATOM 30174 H2 TIP3 8060 38.341 -4.514 -39.167 0.00 0.00 SOLV ATOM 30175 OH2 TIP3 8061 27.712 -9.736 -41.123 0.00 0.00 SOLV ATOM 30176 H1 TIP3 8061 28.142 -10.598 -41.057 0.00 0.00 SOLV ATOM 30177 H2 TIP3 8061 28.344 -9.169 -40.724 0.00 0.00 SOLV ATOM 30178 OH2 TIP3 8062 27.642 -5.534 -37.883 0.00 0.00 SOLV ATOM 30179 H1 TIP3 8062 27.362 -4.682 -37.501 0.00 0.00 SOLV ATOM 30180 H2 TIP3 8062 26.848 -5.810 -38.371 0.00 0.00 SOLV ATOM 30181 OH2 TIP3 8063 31.745 -11.133 -21.636 0.00 0.00 SOLV ATOM 30182 H1 TIP3 8063 30.915 -10.743 -21.307 0.00 0.00 SOLV ATOM 30183 H2 TIP3 8063 32.305 -11.083 -20.824 0.00 0.00 SOLV ATOM 30184 OH2 TIP3 8064 33.791 1.661 -41.265 0.00 0.00 SOLV ATOM 30185 H1 TIP3 8064 34.522 1.306 -40.693 0.00 0.00 SOLV ATOM 30186 H2 TIP3 8064 33.072 1.852 -40.641 0.00 0.00 SOLV ATOM 30187 OH2 TIP3 8065 24.969 -11.626 -23.727 0.00 0.00 SOLV ATOM 30188 H1 TIP3 8065 24.801 -11.228 -24.580 0.00 0.00 SOLV ATOM 30189 H2 TIP3 8065 25.054 -12.534 -23.883 0.00 0.00 SOLV ATOM 30190 OH2 TIP3 8066 19.166 -4.515 -9.734 0.00 0.00 SOLV ATOM 30191 H1 TIP3 8066 18.202 -4.455 -9.635 0.00 0.00 SOLV ATOM 30192 H2 TIP3 8066 19.262 -4.233 -10.704 0.00 0.00 SOLV ATOM 30193 OH2 TIP3 8067 39.810 5.073 -26.092 0.00 0.00 SOLV ATOM 30194 H1 TIP3 8067 40.030 5.469 -25.285 0.00 0.00 SOLV ATOM 30195 H2 TIP3 8067 39.080 4.459 -25.931 0.00 0.00 SOLV ATOM 30196 OH2 TIP3 8068 33.656 3.776 -16.994 0.00 0.00 SOLV ATOM 30197 H1 TIP3 8068 34.089 4.245 -16.333 0.00 0.00 SOLV ATOM 30198 H2 TIP3 8068 34.164 2.987 -17.116 0.00 0.00 SOLV ATOM 30199 OH2 TIP3 8069 26.421 -16.311 -31.143 0.00 0.00 SOLV ATOM 30200 H1 TIP3 8069 27.070 -15.744 -30.563 0.00 0.00 SOLV ATOM 30201 H2 TIP3 8069 26.204 -15.708 -31.852 0.00 0.00 SOLV ATOM 30202 OH2 TIP3 8070 33.062 -1.681 -27.604 0.00 0.00 SOLV ATOM 30203 H1 TIP3 8070 32.940 -1.015 -28.275 0.00 0.00 SOLV ATOM 30204 H2 TIP3 8070 32.105 -1.882 -27.412 0.00 0.00 SOLV ATOM 30205 OH2 TIP3 8071 30.399 -2.049 -38.095 0.00 0.00 SOLV ATOM 30206 H1 TIP3 8071 30.982 -2.310 -38.798 0.00 0.00 SOLV ATOM 30207 H2 TIP3 8071 30.754 -2.428 -37.365 0.00 0.00 SOLV ATOM 30208 OH2 TIP3 8072 14.918 13.127 -35.994 0.00 0.00 SOLV ATOM 30209 H1 TIP3 8072 14.511 13.899 -36.474 0.00 0.00 SOLV ATOM 30210 H2 TIP3 8072 14.812 12.399 -36.650 0.00 0.00 SOLV ATOM 30211 OH2 TIP3 8073 37.642 11.207 -25.907 0.00 0.00 SOLV ATOM 30212 H1 TIP3 8073 37.687 10.740 -26.761 0.00 0.00 SOLV ATOM 30213 H2 TIP3 8073 37.917 10.547 -25.278 0.00 0.00 SOLV ATOM 30214 OH2 TIP3 8074 8.840 19.301 -21.827 0.00 0.00 SOLV ATOM 30215 H1 TIP3 8074 9.123 18.503 -21.478 0.00 0.00 SOLV ATOM 30216 H2 TIP3 8074 9.590 19.933 -21.722 0.00 0.00 SOLV ATOM 30217 OH2 TIP3 8075 34.615 -0.573 -6.360 0.00 0.00 SOLV ATOM 30218 H1 TIP3 8075 33.997 -0.985 -6.949 0.00 0.00 SOLV ATOM 30219 H2 TIP3 8075 34.734 -1.264 -5.697 0.00 0.00 SOLV ATOM 30220 OH2 TIP3 8076 29.031 5.876 -37.663 0.00 0.00 SOLV ATOM 30221 H1 TIP3 8076 28.945 5.113 -38.191 0.00 0.00 SOLV ATOM 30222 H2 TIP3 8076 28.343 5.694 -37.003 0.00 0.00 SOLV ATOM 30223 OH2 TIP3 8077 34.910 3.242 -26.616 0.00 0.00 SOLV ATOM 30224 H1 TIP3 8077 35.160 2.368 -26.373 0.00 0.00 SOLV ATOM 30225 H2 TIP3 8077 34.146 3.486 -25.985 0.00 0.00 SOLV ATOM 30226 OH2 TIP3 8078 36.079 -1.743 -21.174 0.00 0.00 SOLV ATOM 30227 H1 TIP3 8078 35.754 -0.904 -21.550 0.00 0.00 SOLV ATOM 30228 H2 TIP3 8078 36.833 -1.447 -20.620 0.00 0.00 SOLV ATOM 30229 OH2 TIP3 8079 43.268 15.645 -23.786 0.00 0.00 SOLV ATOM 30230 H1 TIP3 8079 43.993 14.956 -23.717 0.00 0.00 SOLV ATOM 30231 H2 TIP3 8079 42.572 15.227 -24.342 0.00 0.00 SOLV ATOM 30232 OH2 TIP3 8080 33.059 -6.171 -11.156 0.00 0.00 SOLV ATOM 30233 H1 TIP3 8080 33.774 -6.382 -10.565 0.00 0.00 SOLV ATOM 30234 H2 TIP3 8080 33.357 -6.651 -11.977 0.00 0.00 SOLV ATOM 30235 OH2 TIP3 8081 27.163 -4.948 -9.395 0.00 0.00 SOLV ATOM 30236 H1 TIP3 8081 27.571 -4.588 -10.229 0.00 0.00 SOLV ATOM 30237 H2 TIP3 8081 26.666 -5.682 -9.733 0.00 0.00 SOLV ATOM 30238 OH2 TIP3 8082 35.992 0.790 -39.785 0.00 0.00 SOLV ATOM 30239 H1 TIP3 8082 36.129 1.329 -38.971 0.00 0.00 SOLV ATOM 30240 H2 TIP3 8082 36.342 -0.123 -39.612 0.00 0.00 SOLV ATOM 30241 OH2 TIP3 8083 31.843 10.025 -36.591 0.00 0.00 SOLV ATOM 30242 H1 TIP3 8083 31.212 9.267 -36.901 0.00 0.00 SOLV ATOM 30243 H2 TIP3 8083 31.302 10.795 -36.663 0.00 0.00 SOLV ATOM 30244 OH2 TIP3 8084 36.636 15.213 -39.513 0.00 0.00 SOLV ATOM 30245 H1 TIP3 8084 35.725 15.175 -39.224 0.00 0.00 SOLV ATOM 30246 H2 TIP3 8084 37.006 15.284 -38.615 0.00 0.00 SOLV ATOM 30247 OH2 TIP3 8085 26.042 8.869 -34.718 0.00 0.00 SOLV ATOM 30248 H1 TIP3 8085 25.864 9.757 -35.087 0.00 0.00 SOLV ATOM 30249 H2 TIP3 8085 26.958 8.975 -34.443 0.00 0.00 SOLV ATOM 30250 OH2 TIP3 8086 33.385 0.386 -25.604 0.00 0.00 SOLV ATOM 30251 H1 TIP3 8086 32.907 -0.170 -26.183 0.00 0.00 SOLV ATOM 30252 H2 TIP3 8086 34.213 -0.142 -25.615 0.00 0.00 SOLV ATOM 30253 OH2 TIP3 8087 28.938 4.346 -4.419 0.00 0.00 SOLV ATOM 30254 H1 TIP3 8087 28.863 5.016 -3.734 0.00 0.00 SOLV ATOM 30255 H2 TIP3 8087 29.484 3.744 -3.920 0.00 0.00 SOLV ATOM 30256 OH2 TIP3 8088 27.206 -5.603 -6.690 0.00 0.00 SOLV ATOM 30257 H1 TIP3 8088 27.573 -5.423 -7.545 0.00 0.00 SOLV ATOM 30258 H2 TIP3 8088 26.296 -5.354 -6.773 0.00 0.00 SOLV ATOM 30259 OH2 TIP3 8089 31.117 8.563 -49.208 0.00 0.00 SOLV ATOM 30260 H1 TIP3 8089 31.927 8.291 -49.641 0.00 0.00 SOLV ATOM 30261 H2 TIP3 8089 31.392 8.961 -48.393 0.00 0.00 SOLV ATOM 30262 OH2 TIP3 8090 29.397 2.425 -42.899 0.00 0.00 SOLV ATOM 30263 H1 TIP3 8090 28.828 3.218 -43.301 0.00 0.00 SOLV ATOM 30264 H2 TIP3 8090 30.116 2.827 -42.463 0.00 0.00 SOLV ATOM 30265 OH2 TIP3 8091 44.839 12.685 -20.935 0.00 0.00 SOLV ATOM 30266 H1 TIP3 8091 44.336 11.886 -20.560 0.00 0.00 SOLV ATOM 30267 H2 TIP3 8091 45.591 12.842 -20.271 0.00 0.00 SOLV ATOM 30268 OH2 TIP3 8092 38.296 3.440 -18.296 0.00 0.00 SOLV ATOM 30269 H1 TIP3 8092 38.765 2.618 -18.532 0.00 0.00 SOLV ATOM 30270 H2 TIP3 8092 37.590 3.566 -19.022 0.00 0.00 SOLV ATOM 30271 OH2 TIP3 8093 29.356 11.572 -45.910 0.00 0.00 SOLV ATOM 30272 H1 TIP3 8093 29.384 12.529 -45.789 0.00 0.00 SOLV ATOM 30273 H2 TIP3 8093 30.281 11.464 -46.309 0.00 0.00 SOLV ATOM 30274 OH2 TIP3 8094 18.098 2.026 -7.130 0.00 0.00 SOLV ATOM 30275 H1 TIP3 8094 18.972 1.750 -6.629 0.00 0.00 SOLV ATOM 30276 H2 TIP3 8094 18.460 2.749 -7.698 0.00 0.00 SOLV ATOM 30277 OH2 TIP3 8095 39.064 12.809 -39.762 0.00 0.00 SOLV ATOM 30278 H1 TIP3 8095 38.674 13.472 -40.314 0.00 0.00 SOLV ATOM 30279 H2 TIP3 8095 38.618 12.965 -38.910 0.00 0.00 SOLV ATOM 30280 OH2 TIP3 8096 35.292 4.719 -10.144 0.00 0.00 SOLV ATOM 30281 H1 TIP3 8096 35.672 5.480 -10.471 0.00 0.00 SOLV ATOM 30282 H2 TIP3 8096 34.327 4.902 -10.244 0.00 0.00 SOLV ATOM 30283 OH2 TIP3 8097 33.014 5.576 -8.592 0.00 0.00 SOLV ATOM 30284 H1 TIP3 8097 32.728 4.972 -7.833 0.00 0.00 SOLV ATOM 30285 H2 TIP3 8097 33.811 6.033 -8.235 0.00 0.00 SOLV ATOM 30286 OH2 TIP3 8098 24.951 14.328 -43.839 0.00 0.00 SOLV ATOM 30287 H1 TIP3 8098 24.356 13.717 -44.299 0.00 0.00 SOLV ATOM 30288 H2 TIP3 8098 25.171 13.868 -43.006 0.00 0.00 SOLV ATOM 30289 OH2 TIP3 8099 42.949 12.504 -30.166 0.00 0.00 SOLV ATOM 30290 H1 TIP3 8099 43.733 12.022 -30.448 0.00 0.00 SOLV ATOM 30291 H2 TIP3 8099 43.260 13.459 -30.194 0.00 0.00 SOLV ATOM 30292 OH2 TIP3 8100 32.753 13.847 -23.192 0.00 0.00 SOLV ATOM 30293 H1 TIP3 8100 31.856 13.676 -22.913 0.00 0.00 SOLV ATOM 30294 H2 TIP3 8100 32.761 14.790 -23.336 0.00 0.00 SOLV ATOM 30295 OH2 TIP3 8101 43.202 13.565 -17.690 0.00 0.00 SOLV ATOM 30296 H1 TIP3 8101 43.341 13.664 -16.713 0.00 0.00 SOLV ATOM 30297 H2 TIP3 8101 43.993 14.031 -18.037 0.00 0.00 SOLV ATOM 30298 OH2 TIP3 8102 36.448 6.805 -11.466 0.00 0.00 SOLV ATOM 30299 H1 TIP3 8102 37.257 6.248 -11.369 0.00 0.00 SOLV ATOM 30300 H2 TIP3 8102 36.955 7.630 -11.749 0.00 0.00 SOLV ATOM 30301 OH2 TIP3 8103 25.710 12.070 -6.919 0.00 0.00 SOLV ATOM 30302 H1 TIP3 8103 25.456 12.085 -7.829 0.00 0.00 SOLV ATOM 30303 H2 TIP3 8103 24.908 11.642 -6.523 0.00 0.00 SOLV ATOM 30304 OH2 TIP3 8104 30.191 5.625 -42.529 0.00 0.00 SOLV ATOM 30305 H1 TIP3 8104 29.718 5.425 -43.294 0.00 0.00 SOLV ATOM 30306 H2 TIP3 8104 29.497 5.832 -41.921 0.00 0.00 SOLV ATOM 30307 OH2 TIP3 8105 36.028 15.944 -44.809 0.00 0.00 SOLV ATOM 30308 H1 TIP3 8105 35.588 16.768 -45.038 0.00 0.00 SOLV ATOM 30309 H2 TIP3 8105 35.574 15.510 -44.018 0.00 0.00 SOLV ATOM 30310 OH2 TIP3 8106 33.244 18.503 -17.020 0.00 0.00 SOLV ATOM 30311 H1 TIP3 8106 34.200 18.354 -17.095 0.00 0.00 SOLV ATOM 30312 H2 TIP3 8106 33.055 18.997 -17.823 0.00 0.00 SOLV ATOM 30313 OH2 TIP3 8107 40.785 9.978 -30.659 0.00 0.00 SOLV ATOM 30314 H1 TIP3 8107 40.131 9.274 -30.517 0.00 0.00 SOLV ATOM 30315 H2 TIP3 8107 41.423 9.798 -29.961 0.00 0.00 SOLV ATOM 30316 OH2 TIP3 8108 25.112 11.596 -2.059 0.00 0.00 SOLV ATOM 30317 H1 TIP3 8108 24.442 12.277 -1.835 0.00 0.00 SOLV ATOM 30318 H2 TIP3 8108 25.689 11.640 -1.265 0.00 0.00 SOLV ATOM 30319 OH2 TIP3 8109 43.090 9.794 -10.615 0.00 0.00 SOLV ATOM 30320 H1 TIP3 8109 43.074 8.881 -10.464 0.00 0.00 SOLV ATOM 30321 H2 TIP3 8109 42.181 10.023 -10.685 0.00 0.00 SOLV ATOM 30322 OH2 TIP3 8110 33.583 -14.523 -33.152 0.00 0.00 SOLV ATOM 30323 H1 TIP3 8110 34.214 -15.281 -33.346 0.00 0.00 SOLV ATOM 30324 H2 TIP3 8110 32.921 -14.649 -33.893 0.00 0.00 SOLV ATOM 30325 OH2 TIP3 8111 27.098 -17.007 -34.225 0.00 0.00 SOLV ATOM 30326 H1 TIP3 8111 26.601 -17.701 -33.754 0.00 0.00 SOLV ATOM 30327 H2 TIP3 8111 26.356 -16.473 -34.658 0.00 0.00 SOLV ATOM 30328 OH2 TIP3 8112 33.162 -10.381 -25.279 0.00 0.00 SOLV ATOM 30329 H1 TIP3 8112 33.362 -10.077 -24.423 0.00 0.00 SOLV ATOM 30330 H2 TIP3 8112 33.418 -11.339 -25.283 0.00 0.00 SOLV ATOM 30331 OH2 TIP3 8113 31.476 -8.617 -13.556 0.00 0.00 SOLV ATOM 30332 H1 TIP3 8113 30.587 -8.791 -13.264 0.00 0.00 SOLV ATOM 30333 H2 TIP3 8113 31.948 -9.236 -13.091 0.00 0.00 SOLV ATOM 30334 OH2 TIP3 8114 32.333 -11.352 -28.160 0.00 0.00 SOLV ATOM 30335 H1 TIP3 8114 32.875 -10.626 -28.569 0.00 0.00 SOLV ATOM 30336 H2 TIP3 8114 32.400 -11.117 -27.244 0.00 0.00 SOLV ATOM 30337 OH2 TIP3 8115 39.706 -6.126 -15.144 0.00 0.00 SOLV ATOM 30338 H1 TIP3 8115 40.583 -6.180 -14.902 0.00 0.00 SOLV ATOM 30339 H2 TIP3 8115 39.397 -5.398 -14.715 0.00 0.00 SOLV ATOM 30340 OH2 TIP3 8116 28.177 -2.617 0.761 0.00 0.00 SOLV ATOM 30341 H1 TIP3 8116 29.038 -3.063 0.740 0.00 0.00 SOLV ATOM 30342 H2 TIP3 8116 28.345 -1.727 0.378 0.00 0.00 SOLV ATOM 30343 OH2 TIP3 8117 28.079 -12.055 -44.365 0.00 0.00 SOLV ATOM 30344 H1 TIP3 8117 27.788 -12.306 -45.252 0.00 0.00 SOLV ATOM 30345 H2 TIP3 8117 29.031 -12.132 -44.432 0.00 0.00 SOLV ATOM 30346 OH2 TIP3 8118 31.249 7.171 -34.579 0.00 0.00 SOLV ATOM 30347 H1 TIP3 8118 30.711 6.528 -34.093 0.00 0.00 SOLV ATOM 30348 H2 TIP3 8118 31.969 7.506 -33.995 0.00 0.00 SOLV ATOM 30349 OH2 TIP3 8119 36.745 -2.788 -36.145 0.00 0.00 SOLV ATOM 30350 H1 TIP3 8119 37.479 -2.614 -36.686 0.00 0.00 SOLV ATOM 30351 H2 TIP3 8119 36.770 -3.757 -36.111 0.00 0.00 SOLV ATOM 30352 OH2 TIP3 8120 28.146 -14.447 -33.525 0.00 0.00 SOLV ATOM 30353 H1 TIP3 8120 28.528 -14.186 -34.401 0.00 0.00 SOLV ATOM 30354 H2 TIP3 8120 27.787 -15.304 -33.797 0.00 0.00 SOLV ATOM 30355 OH2 TIP3 8121 38.587 1.596 -20.680 0.00 0.00 SOLV ATOM 30356 H1 TIP3 8121 38.016 2.144 -21.241 0.00 0.00 SOLV ATOM 30357 H2 TIP3 8121 39.368 1.532 -21.228 0.00 0.00 SOLV ATOM 30358 OH2 TIP3 8122 35.416 -2.676 -32.188 0.00 0.00 SOLV ATOM 30359 H1 TIP3 8122 35.968 -1.930 -32.437 0.00 0.00 SOLV ATOM 30360 H2 TIP3 8122 35.296 -2.607 -31.231 0.00 0.00 SOLV ATOM 30361 OH2 TIP3 8123 35.297 -1.824 -26.194 0.00 0.00 SOLV ATOM 30362 H1 TIP3 8123 35.627 -2.465 -25.612 0.00 0.00 SOLV ATOM 30363 H2 TIP3 8123 34.496 -2.172 -26.616 0.00 0.00 SOLV ATOM 30364 OH2 TIP3 8124 26.776 -8.537 -9.548 0.00 0.00 SOLV ATOM 30365 H1 TIP3 8124 27.046 -9.477 -9.495 0.00 0.00 SOLV ATOM 30366 H2 TIP3 8124 26.035 -8.451 -8.921 0.00 0.00 SOLV ATOM 30367 OH2 TIP3 8125 30.992 -5.332 -46.709 0.00 0.00 SOLV ATOM 30368 H1 TIP3 8125 31.725 -4.964 -46.121 0.00 0.00 SOLV ATOM 30369 H2 TIP3 8125 31.147 -4.820 -47.535 0.00 0.00 SOLV ATOM 30370 OH2 TIP3 8126 30.144 -2.263 -49.060 0.00 0.00 SOLV ATOM 30371 H1 TIP3 8126 30.349 -1.309 -48.865 0.00 0.00 SOLV ATOM 30372 H2 TIP3 8126 29.220 -2.392 -48.789 0.00 0.00 SOLV ATOM 30373 OH2 TIP3 8127 33.705 12.769 -45.178 0.00 0.00 SOLV ATOM 30374 H1 TIP3 8127 34.451 12.714 -44.582 0.00 0.00 SOLV ATOM 30375 H2 TIP3 8127 33.051 12.620 -44.468 0.00 0.00 SOLV ATOM 30376 OH2 TIP3 8128 32.157 3.819 -34.271 0.00 0.00 SOLV ATOM 30377 H1 TIP3 8128 32.481 3.999 -33.370 0.00 0.00 SOLV ATOM 30378 H2 TIP3 8128 31.168 3.671 -34.120 0.00 0.00 SOLV ATOM 30379 OH2 TIP3 8129 37.077 -0.192 -29.333 0.00 0.00 SOLV ATOM 30380 H1 TIP3 8129 37.597 -0.318 -30.143 0.00 0.00 SOLV ATOM 30381 H2 TIP3 8129 36.892 -1.154 -29.189 0.00 0.00 SOLV ATOM 30382 OH2 TIP3 8130 44.221 3.603 -19.709 0.00 0.00 SOLV ATOM 30383 H1 TIP3 8130 44.160 2.607 -19.745 0.00 0.00 SOLV ATOM 30384 H2 TIP3 8130 43.767 3.817 -20.456 0.00 0.00 SOLV ATOM 30385 OH2 TIP3 8131 40.993 -4.711 -18.060 0.00 0.00 SOLV ATOM 30386 H1 TIP3 8131 40.150 -4.514 -18.453 0.00 0.00 SOLV ATOM 30387 H2 TIP3 8131 40.716 -5.134 -17.226 0.00 0.00 SOLV ATOM 30388 OH2 TIP3 8132 32.035 3.725 -6.486 0.00 0.00 SOLV ATOM 30389 H1 TIP3 8132 32.798 3.177 -6.714 0.00 0.00 SOLV ATOM 30390 H2 TIP3 8132 31.274 3.080 -6.669 0.00 0.00 SOLV ATOM 30391 OH2 TIP3 8133 25.941 -11.429 -42.668 0.00 0.00 SOLV ATOM 30392 H1 TIP3 8133 26.662 -11.514 -43.349 0.00 0.00 SOLV ATOM 30393 H2 TIP3 8133 26.359 -10.819 -41.995 0.00 0.00 SOLV ATOM 30394 OH2 TIP3 8134 24.799 -16.847 -40.121 0.00 0.00 SOLV ATOM 30395 H1 TIP3 8134 25.560 -17.221 -39.659 0.00 0.00 SOLV ATOM 30396 H2 TIP3 8134 24.119 -16.891 -39.521 0.00 0.00 SOLV ATOM 30397 OH2 TIP3 8135 36.602 2.142 -37.527 0.00 0.00 SOLV ATOM 30398 H1 TIP3 8135 36.115 2.965 -37.433 0.00 0.00 SOLV ATOM 30399 H2 TIP3 8135 37.266 2.333 -36.822 0.00 0.00 SOLV ATOM 30400 OH2 TIP3 8136 37.607 -6.760 -26.354 0.00 0.00 SOLV ATOM 30401 H1 TIP3 8136 36.837 -6.668 -25.775 0.00 0.00 SOLV ATOM 30402 H2 TIP3 8136 38.284 -6.251 -25.901 0.00 0.00 SOLV ATOM 30403 OH2 TIP3 8137 32.357 -1.131 -33.280 0.00 0.00 SOLV ATOM 30404 H1 TIP3 8137 31.537 -1.178 -33.778 0.00 0.00 SOLV ATOM 30405 H2 TIP3 8137 32.893 -1.826 -33.772 0.00 0.00 SOLV ATOM 30406 OH2 TIP3 8138 38.176 0.498 -35.627 0.00 0.00 SOLV ATOM 30407 H1 TIP3 8138 39.116 0.544 -35.385 0.00 0.00 SOLV ATOM 30408 H2 TIP3 8138 38.168 0.398 -36.585 0.00 0.00 SOLV ATOM 30409 OH2 TIP3 8139 13.473 13.986 -17.377 0.00 0.00 SOLV ATOM 30410 H1 TIP3 8139 13.897 13.738 -16.525 0.00 0.00 SOLV ATOM 30411 H2 TIP3 8139 12.618 13.556 -17.339 0.00 0.00 SOLV ATOM 30412 OH2 TIP3 8140 33.036 4.104 -12.410 0.00 0.00 SOLV ATOM 30413 H1 TIP3 8140 32.087 4.191 -12.757 0.00 0.00 SOLV ATOM 30414 H2 TIP3 8140 33.385 5.041 -12.569 0.00 0.00 SOLV ATOM 30415 OH2 TIP3 8141 31.086 -8.725 -17.795 0.00 0.00 SOLV ATOM 30416 H1 TIP3 8141 30.661 -7.931 -17.469 0.00 0.00 SOLV ATOM 30417 H2 TIP3 8141 31.601 -8.368 -18.494 0.00 0.00 SOLV ATOM 30418 OH2 TIP3 8142 32.726 -10.933 -13.003 0.00 0.00 SOLV ATOM 30419 H1 TIP3 8142 32.155 -11.464 -12.468 0.00 0.00 SOLV ATOM 30420 H2 TIP3 8142 33.275 -11.598 -13.473 0.00 0.00 SOLV ATOM 30421 OH2 TIP3 8143 31.380 -9.435 -43.381 0.00 0.00 SOLV ATOM 30422 H1 TIP3 8143 30.575 -9.185 -43.060 0.00 0.00 SOLV ATOM 30423 H2 TIP3 8143 31.899 -8.697 -42.996 0.00 0.00 SOLV ATOM 30424 OH2 TIP3 8144 32.859 -5.987 -33.918 0.00 0.00 SOLV ATOM 30425 H1 TIP3 8144 33.353 -5.468 -34.564 0.00 0.00 SOLV ATOM 30426 H2 TIP3 8144 33.183 -6.898 -34.097 0.00 0.00 SOLV ATOM 30427 OH2 TIP3 8145 26.857 11.668 -43.501 0.00 0.00 SOLV ATOM 30428 H1 TIP3 8145 26.642 12.087 -44.395 0.00 0.00 SOLV ATOM 30429 H2 TIP3 8145 27.462 10.979 -43.779 0.00 0.00 SOLV ATOM 30430 OH2 TIP3 8146 41.299 -2.569 -20.942 0.00 0.00 SOLV ATOM 30431 H1 TIP3 8146 41.451 -3.493 -21.272 0.00 0.00 SOLV ATOM 30432 H2 TIP3 8146 41.629 -2.525 -20.008 0.00 0.00 SOLV ATOM 30433 OH2 TIP3 8147 36.129 10.025 -31.582 0.00 0.00 SOLV ATOM 30434 H1 TIP3 8147 35.783 10.644 -30.875 0.00 0.00 SOLV ATOM 30435 H2 TIP3 8147 37.030 10.346 -31.775 0.00 0.00 SOLV ATOM 30436 OH2 TIP3 8148 41.597 0.459 -12.221 0.00 0.00 SOLV ATOM 30437 H1 TIP3 8148 41.583 0.173 -11.317 0.00 0.00 SOLV ATOM 30438 H2 TIP3 8148 40.618 0.636 -12.376 0.00 0.00 SOLV ATOM 30439 OH2 TIP3 8149 38.003 -5.712 -9.728 0.00 0.00 SOLV ATOM 30440 H1 TIP3 8149 38.838 -5.979 -10.132 0.00 0.00 SOLV ATOM 30441 H2 TIP3 8149 37.319 -5.974 -10.405 0.00 0.00 SOLV ATOM 30442 OH2 TIP3 8150 29.708 -7.330 -26.605 0.00 0.00 SOLV ATOM 30443 H1 TIP3 8150 29.998 -7.194 -25.695 0.00 0.00 SOLV ATOM 30444 H2 TIP3 8150 30.385 -7.881 -27.036 0.00 0.00 SOLV ATOM 30445 OH2 TIP3 8151 37.620 -1.649 -11.914 0.00 0.00 SOLV ATOM 30446 H1 TIP3 8151 37.674 -0.848 -11.392 0.00 0.00 SOLV ATOM 30447 H2 TIP3 8151 36.686 -1.577 -12.193 0.00 0.00 SOLV ATOM 30448 OH2 TIP3 8152 31.498 1.281 -44.833 0.00 0.00 SOLV ATOM 30449 H1 TIP3 8152 32.157 1.099 -45.522 0.00 0.00 SOLV ATOM 30450 H2 TIP3 8152 32.043 1.770 -44.198 0.00 0.00 SOLV ATOM 30451 OH2 TIP3 8153 32.104 7.726 -44.829 0.00 0.00 SOLV ATOM 30452 H1 TIP3 8153 32.079 6.738 -45.121 0.00 0.00 SOLV ATOM 30453 H2 TIP3 8153 31.740 7.779 -44.006 0.00 0.00 SOLV ATOM 30454 OH2 TIP3 8154 29.849 -0.276 -42.607 0.00 0.00 SOLV ATOM 30455 H1 TIP3 8154 29.770 0.519 -43.135 0.00 0.00 SOLV ATOM 30456 H2 TIP3 8154 30.056 0.090 -41.732 0.00 0.00 SOLV ATOM 30457 OH2 TIP3 8155 37.978 13.104 -37.258 0.00 0.00 SOLV ATOM 30458 H1 TIP3 8155 37.324 12.422 -37.320 0.00 0.00 SOLV ATOM 30459 H2 TIP3 8155 38.747 12.626 -36.899 0.00 0.00 SOLV ATOM 30460 OH2 TIP3 8156 -29.207 -1.992 8.117 0.00 0.00 SOLV ATOM 30461 H1 TIP3 8156 -29.282 -2.148 7.184 0.00 0.00 SOLV ATOM 30462 H2 TIP3 8156 -29.953 -2.499 8.420 0.00 0.00 SOLV ATOM 30463 OH2 TIP3 8157 36.799 -7.992 -21.698 0.00 0.00 SOLV ATOM 30464 H1 TIP3 8157 37.326 -7.211 -22.118 0.00 0.00 SOLV ATOM 30465 H2 TIP3 8157 35.951 -7.635 -21.438 0.00 0.00 SOLV ATOM 30466 OH2 TIP3 8158 37.392 -2.192 -15.998 0.00 0.00 SOLV ATOM 30467 H1 TIP3 8158 38.330 -2.049 -16.210 0.00 0.00 SOLV ATOM 30468 H2 TIP3 8158 37.035 -2.755 -16.706 0.00 0.00 SOLV ATOM 30469 OH2 TIP3 8159 32.025 -10.282 -8.978 0.00 0.00 SOLV ATOM 30470 H1 TIP3 8159 31.767 -10.716 -8.173 0.00 0.00 SOLV ATOM 30471 H2 TIP3 8159 31.690 -10.844 -9.700 0.00 0.00 SOLV ATOM 30472 OH2 TIP3 8160 38.973 4.424 -30.683 0.00 0.00 SOLV ATOM 30473 H1 TIP3 8160 39.465 5.164 -30.248 0.00 0.00 SOLV ATOM 30474 H2 TIP3 8160 38.622 3.849 -29.976 0.00 0.00 SOLV ATOM 30475 OH2 TIP3 8161 36.522 -0.539 -8.359 0.00 0.00 SOLV ATOM 30476 H1 TIP3 8161 36.708 -1.485 -8.376 0.00 0.00 SOLV ATOM 30477 H2 TIP3 8161 35.685 -0.518 -7.909 0.00 0.00 SOLV ATOM 30478 OH2 TIP3 8162 32.261 11.235 -43.202 0.00 0.00 SOLV ATOM 30479 H1 TIP3 8162 31.890 10.628 -42.522 0.00 0.00 SOLV ATOM 30480 H2 TIP3 8162 32.316 10.647 -43.977 0.00 0.00 SOLV ATOM 30481 OH2 TIP3 8163 9.704 9.587 -42.423 0.00 0.00 SOLV ATOM 30482 H1 TIP3 8163 9.486 8.839 -43.065 0.00 0.00 SOLV ATOM 30483 H2 TIP3 8163 8.885 10.136 -42.568 0.00 0.00 SOLV ATOM 30484 OH2 TIP3 8164 39.603 9.003 -27.650 0.00 0.00 SOLV ATOM 30485 H1 TIP3 8164 39.987 9.903 -27.560 0.00 0.00 SOLV ATOM 30486 H2 TIP3 8164 38.704 9.154 -28.059 0.00 0.00 SOLV ATOM 30487 OH2 TIP3 8165 37.692 13.473 -20.915 0.00 0.00 SOLV ATOM 30488 H1 TIP3 8165 37.863 14.457 -20.853 0.00 0.00 SOLV ATOM 30489 H2 TIP3 8165 36.751 13.517 -21.079 0.00 0.00 SOLV ATOM 30490 OH2 TIP3 8166 26.293 0.845 -12.938 0.00 0.00 SOLV ATOM 30491 H1 TIP3 8166 25.583 0.724 -13.579 0.00 0.00 SOLV ATOM 30492 H2 TIP3 8166 26.556 -0.126 -12.644 0.00 0.00 SOLV ATOM 30493 OH2 TIP3 8167 26.587 -0.351 -6.518 0.00 0.00 SOLV ATOM 30494 H1 TIP3 8167 26.946 0.269 -7.176 0.00 0.00 SOLV ATOM 30495 H2 TIP3 8167 26.658 -1.258 -6.885 0.00 0.00 SOLV ATOM 30496 OH2 TIP3 8168 26.738 4.954 -33.043 0.00 0.00 SOLV ATOM 30497 H1 TIP3 8168 27.443 4.489 -32.539 0.00 0.00 SOLV ATOM 30498 H2 TIP3 8168 25.918 4.806 -32.541 0.00 0.00 SOLV ATOM 30499 OH2 TIP3 8169 44.296 10.336 -19.283 0.00 0.00 SOLV ATOM 30500 H1 TIP3 8169 44.495 10.664 -18.383 0.00 0.00 SOLV ATOM 30501 H2 TIP3 8169 45.225 10.079 -19.593 0.00 0.00 SOLV ATOM 30502 OH2 TIP3 8170 29.736 10.253 -11.953 0.00 0.00 SOLV ATOM 30503 H1 TIP3 8170 30.172 10.073 -11.089 0.00 0.00 SOLV ATOM 30504 H2 TIP3 8170 28.745 10.203 -11.787 0.00 0.00 SOLV ATOM 30505 OH2 TIP3 8171 19.603 4.094 -8.525 0.00 0.00 SOLV ATOM 30506 H1 TIP3 8171 19.761 4.787 -9.201 0.00 0.00 SOLV ATOM 30507 H2 TIP3 8171 20.507 3.801 -8.389 0.00 0.00 SOLV ATOM 30508 OH2 TIP3 8172 27.812 12.825 -38.334 0.00 0.00 SOLV ATOM 30509 H1 TIP3 8172 28.374 13.440 -38.874 0.00 0.00 SOLV ATOM 30510 H2 TIP3 8172 27.369 13.410 -37.785 0.00 0.00 SOLV ATOM 30511 OH2 TIP3 8173 24.851 10.137 -9.308 0.00 0.00 SOLV ATOM 30512 H1 TIP3 8173 24.700 10.362 -8.415 0.00 0.00 SOLV ATOM 30513 H2 TIP3 8173 24.227 10.739 -9.775 0.00 0.00 SOLV ATOM 30514 OH2 TIP3 8174 30.329 7.430 -5.223 0.00 0.00 SOLV ATOM 30515 H1 TIP3 8174 29.884 8.071 -4.663 0.00 0.00 SOLV ATOM 30516 H2 TIP3 8174 30.580 6.734 -4.681 0.00 0.00 SOLV ATOM 30517 OH2 TIP3 8175 26.268 12.465 -47.585 0.00 0.00 SOLV ATOM 30518 H1 TIP3 8175 26.206 11.551 -47.664 0.00 0.00 SOLV ATOM 30519 H2 TIP3 8175 25.941 12.775 -48.482 0.00 0.00 SOLV ATOM 30520 OH2 TIP3 8176 34.627 14.592 -42.876 0.00 0.00 SOLV ATOM 30521 H1 TIP3 8176 35.243 13.863 -42.913 0.00 0.00 SOLV ATOM 30522 H2 TIP3 8176 34.243 14.527 -41.960 0.00 0.00 SOLV ATOM 30523 OH2 TIP3 8177 26.210 7.859 -49.641 0.00 0.00 SOLV ATOM 30524 H1 TIP3 8177 25.963 7.949 -50.593 0.00 0.00 SOLV ATOM 30525 H2 TIP3 8177 27.175 7.617 -49.714 0.00 0.00 SOLV ATOM 30526 OH2 TIP3 8178 33.489 -6.002 -22.104 0.00 0.00 SOLV ATOM 30527 H1 TIP3 8178 34.076 -5.591 -22.659 0.00 0.00 SOLV ATOM 30528 H2 TIP3 8178 32.843 -5.325 -21.967 0.00 0.00 SOLV ATOM 30529 OH2 TIP3 8179 37.410 0.416 -17.111 0.00 0.00 SOLV ATOM 30530 H1 TIP3 8179 37.424 -0.426 -16.629 0.00 0.00 SOLV ATOM 30531 H2 TIP3 8179 37.522 1.085 -16.410 0.00 0.00 SOLV ATOM 30532 OH2 TIP3 8180 40.228 10.939 -18.518 0.00 0.00 SOLV ATOM 30533 H1 TIP3 8180 40.518 11.846 -18.423 0.00 0.00 SOLV ATOM 30534 H2 TIP3 8180 40.330 10.801 -19.443 0.00 0.00 SOLV ATOM 30535 OH2 TIP3 8181 34.882 1.880 -9.974 0.00 0.00 SOLV ATOM 30536 H1 TIP3 8181 35.444 1.429 -10.563 0.00 0.00 SOLV ATOM 30537 H2 TIP3 8181 34.991 2.829 -10.269 0.00 0.00 SOLV ATOM 30538 OH2 TIP3 8182 34.982 5.201 -15.106 0.00 0.00 SOLV ATOM 30539 H1 TIP3 8182 34.594 5.729 -14.359 0.00 0.00 SOLV ATOM 30540 H2 TIP3 8182 35.947 5.382 -15.182 0.00 0.00 SOLV ATOM 30541 OH2 TIP3 8183 29.511 11.811 -5.111 0.00 0.00 SOLV ATOM 30542 H1 TIP3 8183 30.407 11.361 -4.964 0.00 0.00 SOLV ATOM 30543 H2 TIP3 8183 29.664 12.765 -5.178 0.00 0.00 SOLV ATOM 30544 OH2 TIP3 8184 32.768 12.580 -10.677 0.00 0.00 SOLV ATOM 30545 H1 TIP3 8184 32.230 11.851 -10.551 0.00 0.00 SOLV ATOM 30546 H2 TIP3 8184 32.135 13.259 -10.895 0.00 0.00 SOLV ATOM 30547 OH2 TIP3 8185 29.317 -13.330 -9.022 0.00 0.00 SOLV ATOM 30548 H1 TIP3 8185 28.948 -14.213 -9.376 0.00 0.00 SOLV ATOM 30549 H2 TIP3 8185 29.764 -13.719 -8.187 0.00 0.00 SOLV ATOM 30550 OH2 TIP3 8186 29.176 -11.811 -4.765 0.00 0.00 SOLV ATOM 30551 H1 TIP3 8186 29.448 -11.889 -3.855 0.00 0.00 SOLV ATOM 30552 H2 TIP3 8186 28.605 -12.620 -4.751 0.00 0.00 SOLV ATOM 30553 OH2 TIP3 8187 37.814 -5.060 -28.764 0.00 0.00 SOLV ATOM 30554 H1 TIP3 8187 37.813 -5.670 -28.025 0.00 0.00 SOLV ATOM 30555 H2 TIP3 8187 37.426 -5.599 -29.527 0.00 0.00 SOLV ATOM 30556 OH2 TIP3 8188 37.535 6.013 -15.289 0.00 0.00 SOLV ATOM 30557 H1 TIP3 8188 38.174 6.001 -15.959 0.00 0.00 SOLV ATOM 30558 H2 TIP3 8188 38.061 5.577 -14.595 0.00 0.00 SOLV ATOM 30559 OH2 TIP3 8189 2.218 16.155 -31.777 0.00 0.00 SOLV ATOM 30560 H1 TIP3 8189 2.094 17.015 -32.169 0.00 0.00 SOLV ATOM 30561 H2 TIP3 8189 3.147 15.933 -32.081 0.00 0.00 SOLV ATOM 30562 OH2 TIP3 8190 34.057 -12.669 -38.396 0.00 0.00 SOLV ATOM 30563 H1 TIP3 8190 34.888 -12.814 -38.017 0.00 0.00 SOLV ATOM 30564 H2 TIP3 8190 34.072 -13.320 -39.118 0.00 0.00 SOLV ATOM 30565 OH2 TIP3 8191 26.730 -9.748 -14.942 0.00 0.00 SOLV ATOM 30566 H1 TIP3 8191 27.075 -10.458 -14.399 0.00 0.00 SOLV ATOM 30567 H2 TIP3 8191 25.844 -10.034 -15.214 0.00 0.00 SOLV ATOM 30568 OH2 TIP3 8192 31.828 -8.834 -38.326 0.00 0.00 SOLV ATOM 30569 H1 TIP3 8192 32.539 -9.463 -38.731 0.00 0.00 SOLV ATOM 30570 H2 TIP3 8192 31.962 -8.047 -38.837 0.00 0.00 SOLV ATOM 30571 OH2 TIP3 8193 36.288 -2.771 -29.495 0.00 0.00 SOLV ATOM 30572 H1 TIP3 8193 35.521 -3.281 -29.368 0.00 0.00 SOLV ATOM 30573 H2 TIP3 8193 37.038 -3.352 -29.552 0.00 0.00 SOLV ATOM 30574 OH2 TIP3 8194 37.303 -9.868 -24.796 0.00 0.00 SOLV ATOM 30575 H1 TIP3 8194 36.806 -10.594 -25.277 0.00 0.00 SOLV ATOM 30576 H2 TIP3 8194 38.049 -10.225 -24.343 0.00 0.00 SOLV ATOM 30577 OH2 TIP3 8195 39.368 -6.170 -23.982 0.00 0.00 SOLV ATOM 30578 H1 TIP3 8195 38.955 -6.090 -23.113 0.00 0.00 SOLV ATOM 30579 H2 TIP3 8195 39.632 -7.107 -23.923 0.00 0.00 SOLV ATOM 30580 OH2 TIP3 8196 41.522 3.770 -14.715 0.00 0.00 SOLV ATOM 30581 H1 TIP3 8196 42.308 3.415 -15.186 0.00 0.00 SOLV ATOM 30582 H2 TIP3 8196 40.898 3.018 -14.704 0.00 0.00 SOLV ATOM 30583 OH2 TIP3 8197 30.950 -2.497 -9.376 0.00 0.00 SOLV ATOM 30584 H1 TIP3 8197 30.877 -3.290 -9.939 0.00 0.00 SOLV ATOM 30585 H2 TIP3 8197 30.135 -1.958 -9.557 0.00 0.00 SOLV ATOM 30586 OH2 TIP3 8198 26.575 -7.179 -42.188 0.00 0.00 SOLV ATOM 30587 H1 TIP3 8198 26.089 -7.183 -41.331 0.00 0.00 SOLV ATOM 30588 H2 TIP3 8198 27.333 -7.805 -42.072 0.00 0.00 SOLV ATOM 30589 OH2 TIP3 8199 39.490 7.691 -19.558 0.00 0.00 SOLV ATOM 30590 H1 TIP3 8199 39.609 6.784 -19.386 0.00 0.00 SOLV ATOM 30591 H2 TIP3 8199 40.377 8.019 -19.665 0.00 0.00 SOLV ATOM 30592 OH2 TIP3 8200 33.474 -5.878 -27.119 0.00 0.00 SOLV ATOM 30593 H1 TIP3 8200 33.622 -5.175 -27.866 0.00 0.00 SOLV ATOM 30594 H2 TIP3 8200 32.886 -6.458 -27.529 0.00 0.00 SOLV ATOM 30595 OH2 TIP3 8201 41.246 -5.451 -26.070 0.00 0.00 SOLV ATOM 30596 H1 TIP3 8201 40.757 -4.765 -26.495 0.00 0.00 SOLV ATOM 30597 H2 TIP3 8201 40.620 -5.752 -25.423 0.00 0.00 SOLV ATOM 30598 OH2 TIP3 8202 41.312 -3.345 -14.061 0.00 0.00 SOLV ATOM 30599 H1 TIP3 8202 40.910 -3.237 -13.141 0.00 0.00 SOLV ATOM 30600 H2 TIP3 8202 42.088 -2.725 -13.933 0.00 0.00 SOLV ATOM 30601 OH2 TIP3 8203 40.638 -6.180 -20.378 0.00 0.00 SOLV ATOM 30602 H1 TIP3 8203 41.214 -5.659 -20.936 0.00 0.00 SOLV ATOM 30603 H2 TIP3 8203 40.934 -5.983 -19.449 0.00 0.00 SOLV ATOM 30604 OH2 TIP3 8204 29.413 -3.202 -43.362 0.00 0.00 SOLV ATOM 30605 H1 TIP3 8204 29.565 -2.340 -42.999 0.00 0.00 SOLV ATOM 30606 H2 TIP3 8204 28.486 -3.458 -43.070 0.00 0.00 SOLV ATOM 30607 OH2 TIP3 8205 24.911 -3.695 -50.376 0.00 0.00 SOLV ATOM 30608 H1 TIP3 8205 23.966 -3.438 -50.384 0.00 0.00 SOLV ATOM 30609 H2 TIP3 8205 24.975 -4.521 -50.970 0.00 0.00 SOLV ATOM 30610 OH2 TIP3 8206 33.677 3.199 -44.356 0.00 0.00 SOLV ATOM 30611 H1 TIP3 8206 34.577 3.275 -44.666 0.00 0.00 SOLV ATOM 30612 H2 TIP3 8206 33.803 2.976 -43.399 0.00 0.00 SOLV ATOM 30613 OH2 TIP3 8207 36.418 10.165 -13.489 0.00 0.00 SOLV ATOM 30614 H1 TIP3 8207 35.961 10.868 -12.872 0.00 0.00 SOLV ATOM 30615 H2 TIP3 8207 36.371 10.643 -14.368 0.00 0.00 SOLV ATOM 30616 OH2 TIP3 8208 40.521 6.349 -23.221 0.00 0.00 SOLV ATOM 30617 H1 TIP3 8208 40.316 7.258 -22.835 0.00 0.00 SOLV ATOM 30618 H2 TIP3 8208 39.869 5.789 -22.850 0.00 0.00 SOLV ATOM 30619 OH2 TIP3 8209 36.413 -3.245 -7.982 0.00 0.00 SOLV ATOM 30620 H1 TIP3 8209 36.908 -3.962 -8.470 0.00 0.00 SOLV ATOM 30621 H2 TIP3 8209 35.529 -3.589 -7.818 0.00 0.00 SOLV ATOM 30622 OH2 TIP3 8210 25.753 14.601 2.000 0.00 0.00 SOLV ATOM 30623 H1 TIP3 8210 26.584 14.586 2.518 0.00 0.00 SOLV ATOM 30624 H2 TIP3 8210 26.060 14.947 1.125 0.00 0.00 SOLV ATOM 30625 OH2 TIP3 8211 37.076 6.088 -39.663 0.00 0.00 SOLV ATOM 30626 H1 TIP3 8211 36.550 6.628 -39.005 0.00 0.00 SOLV ATOM 30627 H2 TIP3 8211 36.545 5.238 -39.913 0.00 0.00 SOLV ATOM 30628 OH2 TIP3 8212 42.118 7.647 -32.021 0.00 0.00 SOLV ATOM 30629 H1 TIP3 8212 42.537 6.923 -31.524 0.00 0.00 SOLV ATOM 30630 H2 TIP3 8212 41.854 8.212 -31.327 0.00 0.00 SOLV ATOM 30631 OH2 TIP3 8213 32.535 -3.056 -22.598 0.00 0.00 SOLV ATOM 30632 H1 TIP3 8213 31.880 -3.664 -22.458 0.00 0.00 SOLV ATOM 30633 H2 TIP3 8213 32.081 -2.235 -22.957 0.00 0.00 SOLV ATOM 30634 OH2 TIP3 8214 35.033 1.797 -18.140 0.00 0.00 SOLV ATOM 30635 H1 TIP3 8214 35.931 1.385 -18.101 0.00 0.00 SOLV ATOM 30636 H2 TIP3 8214 35.201 2.462 -18.823 0.00 0.00 SOLV ATOM 30637 OH2 TIP3 8215 38.773 10.963 -11.996 0.00 0.00 SOLV ATOM 30638 H1 TIP3 8215 38.016 10.605 -12.343 0.00 0.00 SOLV ATOM 30639 H2 TIP3 8215 39.229 11.435 -12.691 0.00 0.00 SOLV ATOM 30640 OH2 TIP3 8216 26.920 -0.648 -2.594 0.00 0.00 SOLV ATOM 30641 H1 TIP3 8216 27.135 -0.307 -1.716 0.00 0.00 SOLV ATOM 30642 H2 TIP3 8216 27.530 -1.394 -2.741 0.00 0.00 SOLV ATOM 30643 OH2 TIP3 8217 26.786 14.342 -5.532 0.00 0.00 SOLV ATOM 30644 H1 TIP3 8217 26.274 13.662 -6.039 0.00 0.00 SOLV ATOM 30645 H2 TIP3 8217 27.339 13.807 -4.950 0.00 0.00 SOLV ATOM 30646 OH2 TIP3 8218 37.027 10.712 -41.006 0.00 0.00 SOLV ATOM 30647 H1 TIP3 8218 37.921 10.830 -40.606 0.00 0.00 SOLV ATOM 30648 H2 TIP3 8218 36.537 11.405 -40.537 0.00 0.00 SOLV ATOM 30649 OH2 TIP3 8219 34.773 14.423 -34.068 0.00 0.00 SOLV ATOM 30650 H1 TIP3 8219 34.032 14.076 -34.653 0.00 0.00 SOLV ATOM 30651 H2 TIP3 8219 34.476 15.374 -33.885 0.00 0.00 SOLV ATOM 30652 OH2 TIP3 8220 28.617 9.740 -43.906 0.00 0.00 SOLV ATOM 30653 H1 TIP3 8220 28.023 9.238 -44.486 0.00 0.00 SOLV ATOM 30654 H2 TIP3 8220 29.006 10.446 -44.481 0.00 0.00 SOLV ATOM 30655 OH2 TIP3 8221 37.306 10.306 -28.520 0.00 0.00 SOLV ATOM 30656 H1 TIP3 8221 36.587 9.606 -28.501 0.00 0.00 SOLV ATOM 30657 H2 TIP3 8221 37.134 10.744 -29.361 0.00 0.00 SOLV ATOM 30658 OH2 TIP3 8222 33.065 2.415 -23.801 0.00 0.00 SOLV ATOM 30659 H1 TIP3 8222 32.986 1.776 -24.548 0.00 0.00 SOLV ATOM 30660 H2 TIP3 8222 32.755 3.249 -24.166 0.00 0.00 SOLV ATOM 30661 OH2 TIP3 8223 40.479 -5.926 -11.185 0.00 0.00 SOLV ATOM 30662 H1 TIP3 8223 40.591 -5.060 -11.608 0.00 0.00 SOLV ATOM 30663 H2 TIP3 8223 41.124 -6.497 -11.724 0.00 0.00 SOLV ATOM 30664 OH2 TIP3 8224 36.851 12.687 -7.185 0.00 0.00 SOLV ATOM 30665 H1 TIP3 8224 36.668 12.520 -6.253 0.00 0.00 SOLV ATOM 30666 H2 TIP3 8224 36.675 13.630 -7.299 0.00 0.00 SOLV ATOM 30667 OH2 TIP3 8225 36.181 4.445 -7.373 0.00 0.00 SOLV ATOM 30668 H1 TIP3 8225 36.836 3.770 -7.680 0.00 0.00 SOLV ATOM 30669 H2 TIP3 8225 35.907 4.828 -8.169 0.00 0.00 SOLV ATOM 30670 OH2 TIP3 8226 32.868 2.259 -36.493 0.00 0.00 SOLV ATOM 30671 H1 TIP3 8226 32.609 2.940 -35.801 0.00 0.00 SOLV ATOM 30672 H2 TIP3 8226 32.566 2.702 -37.238 0.00 0.00 SOLV ATOM 30673 OH2 TIP3 8227 29.903 0.780 -39.621 0.00 0.00 SOLV ATOM 30674 H1 TIP3 8227 30.694 0.199 -39.590 0.00 0.00 SOLV ATOM 30675 H2 TIP3 8227 30.392 1.659 -39.648 0.00 0.00 SOLV ATOM 30676 OH2 TIP3 8228 37.281 4.284 -25.299 0.00 0.00 SOLV ATOM 30677 H1 TIP3 8228 36.724 3.690 -25.802 0.00 0.00 SOLV ATOM 30678 H2 TIP3 8228 37.420 3.774 -24.527 0.00 0.00 SOLV ATOM 30679 OH2 TIP3 8229 42.035 13.067 -22.215 0.00 0.00 SOLV ATOM 30680 H1 TIP3 8229 42.481 12.513 -22.828 0.00 0.00 SOLV ATOM 30681 H2 TIP3 8229 42.747 13.735 -21.974 0.00 0.00 SOLV ATOM 30682 OH2 TIP3 8230 40.090 12.038 -27.649 0.00 0.00 SOLV ATOM 30683 H1 TIP3 8230 39.910 12.365 -28.543 0.00 0.00 SOLV ATOM 30684 H2 TIP3 8230 39.745 12.703 -27.023 0.00 0.00 SOLV ATOM 30685 OH2 TIP3 8231 32.742 -10.333 -16.116 0.00 0.00 SOLV ATOM 30686 H1 TIP3 8231 32.194 -9.934 -16.792 0.00 0.00 SOLV ATOM 30687 H2 TIP3 8231 32.400 -10.055 -15.288 0.00 0.00 SOLV ATOM 30688 OH2 TIP3 8232 38.233 16.149 -20.364 0.00 0.00 SOLV ATOM 30689 H1 TIP3 8232 37.489 16.128 -19.745 0.00 0.00 SOLV ATOM 30690 H2 TIP3 8232 39.011 16.067 -19.828 0.00 0.00 SOLV ATOM 30691 OH2 TIP3 8233 38.210 3.202 -35.480 0.00 0.00 SOLV ATOM 30692 H1 TIP3 8233 38.361 3.323 -34.545 0.00 0.00 SOLV ATOM 30693 H2 TIP3 8233 39.006 3.047 -35.853 0.00 0.00 SOLV ATOM 30694 OH2 TIP3 8234 40.514 11.053 -21.311 0.00 0.00 SOLV ATOM 30695 H1 TIP3 8234 40.631 10.594 -22.183 0.00 0.00 SOLV ATOM 30696 H2 TIP3 8234 40.772 11.926 -21.519 0.00 0.00 SOLV ATOM 30697 OH2 TIP3 8235 40.025 15.772 -23.529 0.00 0.00 SOLV ATOM 30698 H1 TIP3 8235 40.465 15.458 -22.698 0.00 0.00 SOLV ATOM 30699 H2 TIP3 8235 39.119 15.317 -23.504 0.00 0.00 SOLV ATOM 30700 OH2 TIP3 8236 34.957 -0.879 -12.797 0.00 0.00 SOLV ATOM 30701 H1 TIP3 8236 34.882 -1.790 -13.172 0.00 0.00 SOLV ATOM 30702 H2 TIP3 8236 34.045 -0.577 -12.726 0.00 0.00 SOLV ATOM 30703 OH2 TIP3 8237 45.608 14.891 -18.475 0.00 0.00 SOLV ATOM 30704 H1 TIP3 8237 45.636 14.103 -18.974 0.00 0.00 SOLV ATOM 30705 H2 TIP3 8237 46.241 15.490 -18.874 0.00 0.00 SOLV ATOM 30706 OH2 TIP3 8238 35.069 7.247 -7.801 0.00 0.00 SOLV ATOM 30707 H1 TIP3 8238 34.848 8.151 -8.162 0.00 0.00 SOLV ATOM 30708 H2 TIP3 8238 36.039 7.251 -7.825 0.00 0.00 SOLV ATOM 30709 OH2 TIP3 8239 40.556 12.617 -13.709 0.00 0.00 SOLV ATOM 30710 H1 TIP3 8239 41.449 12.862 -13.257 0.00 0.00 SOLV ATOM 30711 H2 TIP3 8239 40.863 11.919 -14.369 0.00 0.00 SOLV ATOM 30712 OH2 TIP3 8240 43.153 11.288 -27.392 0.00 0.00 SOLV ATOM 30713 H1 TIP3 8240 42.679 11.887 -27.999 0.00 0.00 SOLV ATOM 30714 H2 TIP3 8240 43.972 11.754 -27.304 0.00 0.00 SOLV ATOM 30715 OH2 TIP3 8241 46.785 9.728 -19.969 0.00 0.00 SOLV ATOM 30716 H1 TIP3 8241 46.993 9.339 -20.831 0.00 0.00 SOLV ATOM 30717 H2 TIP3 8241 47.521 10.262 -19.705 0.00 0.00 SOLV ATOM 30718 OH2 TIP3 8242 32.888 6.999 -36.754 0.00 0.00 SOLV ATOM 30719 H1 TIP3 8242 33.150 7.858 -36.545 0.00 0.00 SOLV ATOM 30720 H2 TIP3 8242 32.201 6.951 -36.065 0.00 0.00 SOLV ATOM 30721 OH2 TIP3 8243 39.303 16.340 -11.851 0.00 0.00 SOLV ATOM 30722 H1 TIP3 8243 40.140 16.728 -12.059 0.00 0.00 SOLV ATOM 30723 H2 TIP3 8243 39.090 15.662 -12.522 0.00 0.00 SOLV ATOM 30724 OH2 TIP3 8244 35.966 3.804 -19.757 0.00 0.00 SOLV ATOM 30725 H1 TIP3 8244 35.896 4.683 -19.378 0.00 0.00 SOLV ATOM 30726 H2 TIP3 8244 35.765 3.924 -20.679 0.00 0.00 SOLV ATOM 30727 OH2 TIP3 8245 41.066 8.747 -16.818 0.00 0.00 SOLV ATOM 30728 H1 TIP3 8245 40.653 9.258 -17.563 0.00 0.00 SOLV ATOM 30729 H2 TIP3 8245 40.829 7.834 -17.034 0.00 0.00 SOLV ATOM 30730 OH2 TIP3 8246 24.236 3.196 -13.003 0.00 0.00 SOLV ATOM 30731 H1 TIP3 8246 25.177 3.423 -12.689 0.00 0.00 SOLV ATOM 30732 H2 TIP3 8246 23.670 3.464 -12.313 0.00 0.00 SOLV ATOM 30733 OH2 TIP3 8247 26.327 -10.622 -47.838 0.00 0.00 SOLV ATOM 30734 H1 TIP3 8247 26.726 -11.510 -47.732 0.00 0.00 SOLV ATOM 30735 H2 TIP3 8247 26.168 -10.351 -46.926 0.00 0.00 SOLV ATOM 30736 OH2 TIP3 8248 27.181 -14.139 -40.664 0.00 0.00 SOLV ATOM 30737 H1 TIP3 8248 26.571 -14.662 -40.118 0.00 0.00 SOLV ATOM 30738 H2 TIP3 8248 27.067 -14.509 -41.501 0.00 0.00 SOLV ATOM 30739 OH2 TIP3 8249 32.461 -4.469 -44.523 0.00 0.00 SOLV ATOM 30740 H1 TIP3 8249 32.159 -3.512 -44.495 0.00 0.00 SOLV ATOM 30741 H2 TIP3 8249 32.894 -4.505 -43.663 0.00 0.00 SOLV ATOM 30742 OH2 TIP3 8250 36.866 -6.644 -11.954 0.00 0.00 SOLV ATOM 30743 H1 TIP3 8250 37.148 -6.037 -12.648 0.00 0.00 SOLV ATOM 30744 H2 TIP3 8250 36.131 -7.171 -12.313 0.00 0.00 SOLV ATOM 30745 OH2 TIP3 8251 35.598 -6.337 -42.141 0.00 0.00 SOLV ATOM 30746 H1 TIP3 8251 35.925 -6.466 -43.015 0.00 0.00 SOLV ATOM 30747 H2 TIP3 8251 35.853 -7.133 -41.715 0.00 0.00 SOLV ATOM 30748 OH2 TIP3 8252 40.208 2.490 -23.031 0.00 0.00 SOLV ATOM 30749 H1 TIP3 8252 40.025 1.951 -23.773 0.00 0.00 SOLV ATOM 30750 H2 TIP3 8252 39.402 3.108 -23.057 0.00 0.00 SOLV ATOM 30751 OH2 TIP3 8253 32.793 -6.082 -18.006 0.00 0.00 SOLV ATOM 30752 H1 TIP3 8253 32.059 -5.683 -18.552 0.00 0.00 SOLV ATOM 30753 H2 TIP3 8253 32.421 -5.908 -17.110 0.00 0.00 SOLV ATOM 30754 OH2 TIP3 8254 24.915 -11.280 -9.166 0.00 0.00 SOLV ATOM 30755 H1 TIP3 8254 25.316 -11.139 -8.298 0.00 0.00 SOLV ATOM 30756 H2 TIP3 8254 25.483 -12.047 -9.457 0.00 0.00 SOLV ATOM 30757 OH2 TIP3 8255 32.558 -0.058 -38.930 0.00 0.00 SOLV ATOM 30758 H1 TIP3 8255 32.863 -0.170 -38.043 0.00 0.00 SOLV ATOM 30759 H2 TIP3 8255 32.676 -0.974 -39.379 0.00 0.00 SOLV ATOM 30760 OH2 TIP3 8256 30.306 -5.742 -42.191 0.00 0.00 SOLV ATOM 30761 H1 TIP3 8256 30.540 -5.379 -43.041 0.00 0.00 SOLV ATOM 30762 H2 TIP3 8256 29.908 -5.050 -41.712 0.00 0.00 SOLV ATOM 30763 OH2 TIP3 8257 28.453 -10.878 -26.353 0.00 0.00 SOLV ATOM 30764 H1 TIP3 8257 28.209 -9.970 -26.319 0.00 0.00 SOLV ATOM 30765 H2 TIP3 8257 29.031 -10.830 -27.106 0.00 0.00 SOLV ATOM 30766 OH2 TIP3 8258 38.827 -10.005 -21.278 0.00 0.00 SOLV ATOM 30767 H1 TIP3 8258 38.215 -9.293 -21.494 0.00 0.00 SOLV ATOM 30768 H2 TIP3 8258 38.252 -10.769 -21.302 0.00 0.00 SOLV ATOM 30769 OH2 TIP3 8259 34.893 -8.935 -31.987 0.00 0.00 SOLV ATOM 30770 H1 TIP3 8259 34.944 -8.724 -32.931 0.00 0.00 SOLV ATOM 30771 H2 TIP3 8259 34.350 -9.715 -32.000 0.00 0.00 SOLV ATOM 30772 OH2 TIP3 8260 37.830 12.567 -18.043 0.00 0.00 SOLV ATOM 30773 H1 TIP3 8260 37.557 12.879 -18.895 0.00 0.00 SOLV ATOM 30774 H2 TIP3 8260 38.690 12.166 -18.165 0.00 0.00 SOLV ATOM 30775 OH2 TIP3 8261 40.046 -2.147 -16.584 0.00 0.00 SOLV ATOM 30776 H1 TIP3 8261 40.431 -2.535 -15.744 0.00 0.00 SOLV ATOM 30777 H2 TIP3 8261 40.676 -2.378 -17.261 0.00 0.00 SOLV ATOM 30778 OH2 TIP3 8262 41.166 2.450 -19.056 0.00 0.00 SOLV ATOM 30779 H1 TIP3 8262 42.018 2.146 -19.329 0.00 0.00 SOLV ATOM 30780 H2 TIP3 8262 41.049 1.975 -18.220 0.00 0.00 SOLV ATOM 30781 OH2 TIP3 8263 33.143 -3.045 -15.694 0.00 0.00 SOLV ATOM 30782 H1 TIP3 8263 32.723 -3.361 -16.571 0.00 0.00 SOLV ATOM 30783 H2 TIP3 8263 32.493 -2.386 -15.254 0.00 0.00 SOLV ATOM 30784 OH2 TIP3 8264 36.550 -6.117 -31.165 0.00 0.00 SOLV ATOM 30785 H1 TIP3 8264 36.599 -5.291 -31.661 0.00 0.00 SOLV ATOM 30786 H2 TIP3 8264 35.809 -6.590 -31.563 0.00 0.00 SOLV ATOM 30787 OH2 TIP3 8265 40.490 7.100 -10.252 0.00 0.00 SOLV ATOM 30788 H1 TIP3 8265 40.402 8.050 -10.549 0.00 0.00 SOLV ATOM 30789 H2 TIP3 8265 41.479 6.921 -10.304 0.00 0.00 SOLV ATOM 30790 OH2 TIP3 8266 40.768 3.424 -9.950 0.00 0.00 SOLV ATOM 30791 H1 TIP3 8266 41.284 3.588 -9.156 0.00 0.00 SOLV ATOM 30792 H2 TIP3 8266 41.468 3.559 -10.647 0.00 0.00 SOLV ATOM 30793 OH2 TIP3 8267 38.472 8.173 -13.672 0.00 0.00 SOLV ATOM 30794 H1 TIP3 8267 37.680 8.691 -13.539 0.00 0.00 SOLV ATOM 30795 H2 TIP3 8267 38.176 7.409 -14.234 0.00 0.00 SOLV ATOM 30796 OH2 TIP3 8268 37.685 6.397 -32.946 0.00 0.00 SOLV ATOM 30797 H1 TIP3 8268 38.127 5.763 -32.346 0.00 0.00 SOLV ATOM 30798 H2 TIP3 8268 38.271 7.196 -32.969 0.00 0.00 SOLV ATOM 30799 OH2 TIP3 8269 34.442 -0.128 -36.650 0.00 0.00 SOLV ATOM 30800 H1 TIP3 8269 34.992 0.056 -35.908 0.00 0.00 SOLV ATOM 30801 H2 TIP3 8269 33.938 0.672 -36.702 0.00 0.00 SOLV ATOM 30802 OH2 TIP3 8270 36.977 -0.644 -33.118 0.00 0.00 SOLV ATOM 30803 H1 TIP3 8270 36.470 0.197 -33.089 0.00 0.00 SOLV ATOM 30804 H2 TIP3 8270 37.363 -0.513 -33.959 0.00 0.00 SOLV ATOM 30805 OH2 TIP3 8271 42.735 13.236 -12.121 0.00 0.00 SOLV ATOM 30806 H1 TIP3 8271 42.597 12.739 -11.261 0.00 0.00 SOLV ATOM 30807 H2 TIP3 8271 43.100 14.068 -11.776 0.00 0.00 SOLV ATOM 30808 OH2 TIP3 8272 43.917 0.198 -14.117 0.00 0.00 SOLV ATOM 30809 H1 TIP3 8272 44.610 -0.342 -13.809 0.00 0.00 SOLV ATOM 30810 H2 TIP3 8272 43.253 -0.006 -13.429 0.00 0.00 SOLV ATOM 30811 OH2 TIP3 8273 30.602 14.323 -5.387 0.00 0.00 SOLV ATOM 30812 H1 TIP3 8273 30.939 15.062 -5.955 0.00 0.00 SOLV ATOM 30813 H2 TIP3 8273 30.654 14.793 -4.545 0.00 0.00 SOLV ATOM 30814 OH2 TIP3 8274 36.842 1.857 -23.545 0.00 0.00 SOLV ATOM 30815 H1 TIP3 8274 36.275 1.150 -23.350 0.00 0.00 SOLV ATOM 30816 H2 TIP3 8274 37.595 1.489 -24.041 0.00 0.00 SOLV ATOM 30817 OH2 TIP3 8275 32.656 12.085 -49.534 0.00 0.00 SOLV ATOM 30818 H1 TIP3 8275 32.104 12.502 -50.243 0.00 0.00 SOLV ATOM 30819 H2 TIP3 8275 33.521 11.887 -50.009 0.00 0.00 SOLV ATOM 30820 OH2 TIP3 8276 24.661 -1.482 -15.138 0.00 0.00 SOLV ATOM 30821 H1 TIP3 8276 24.176 -1.810 -14.373 0.00 0.00 SOLV ATOM 30822 H2 TIP3 8276 24.243 -0.567 -15.139 0.00 0.00 SOLV ATOM 30823 OH2 TIP3 8277 29.875 0.518 -48.725 0.00 0.00 SOLV ATOM 30824 H1 TIP3 8277 29.551 0.273 -47.830 0.00 0.00 SOLV ATOM 30825 H2 TIP3 8277 29.148 0.934 -49.127 0.00 0.00 SOLV ATOM 30826 OH2 TIP3 8278 41.532 5.006 -28.901 0.00 0.00 SOLV ATOM 30827 H1 TIP3 8278 42.074 5.564 -28.305 0.00 0.00 SOLV ATOM 30828 H2 TIP3 8278 41.261 4.223 -28.348 0.00 0.00 SOLV ATOM 30829 OH2 TIP3 8279 38.136 15.497 -33.615 0.00 0.00 SOLV ATOM 30830 H1 TIP3 8279 37.177 15.391 -33.705 0.00 0.00 SOLV ATOM 30831 H2 TIP3 8279 38.257 16.350 -33.196 0.00 0.00 SOLV ATOM 30832 OH2 TIP3 8280 43.479 7.830 -22.496 0.00 0.00 SOLV ATOM 30833 H1 TIP3 8280 43.667 8.237 -23.390 0.00 0.00 SOLV ATOM 30834 H2 TIP3 8280 42.985 8.559 -22.063 0.00 0.00 SOLV ATOM 30835 OH2 TIP3 8281 34.119 -3.184 -5.292 0.00 0.00 SOLV ATOM 30836 H1 TIP3 8281 34.877 -3.356 -4.701 0.00 0.00 SOLV ATOM 30837 H2 TIP3 8281 34.132 -4.010 -5.895 0.00 0.00 SOLV ATOM 30838 OH2 TIP3 8282 36.967 6.809 -29.327 0.00 0.00 SOLV ATOM 30839 H1 TIP3 8282 36.535 5.915 -29.336 0.00 0.00 SOLV ATOM 30840 H2 TIP3 8282 36.285 7.388 -28.873 0.00 0.00 SOLV ATOM 30841 OH2 TIP3 8283 41.488 15.831 -14.597 0.00 0.00 SOLV ATOM 30842 H1 TIP3 8283 41.750 15.833 -15.559 0.00 0.00 SOLV ATOM 30843 H2 TIP3 8283 42.104 15.176 -14.196 0.00 0.00 SOLV ATOM 30844 OH2 TIP3 8284 42.795 3.510 -22.179 0.00 0.00 SOLV ATOM 30845 H1 TIP3 8284 41.861 3.221 -22.154 0.00 0.00 SOLV ATOM 30846 H2 TIP3 8284 42.825 3.864 -23.066 0.00 0.00 SOLV ATOM 30847 OH2 TIP3 8285 28.864 12.575 4.812 0.00 0.00 SOLV ATOM 30848 H1 TIP3 8285 28.983 13.513 4.963 0.00 0.00 SOLV ATOM 30849 H2 TIP3 8285 27.954 12.488 4.364 0.00 0.00 SOLV ATOM 30850 OH2 TIP3 8286 41.410 9.581 -23.567 0.00 0.00 SOLV ATOM 30851 H1 TIP3 8286 40.530 9.225 -23.979 0.00 0.00 SOLV ATOM 30852 H2 TIP3 8286 42.083 9.306 -24.198 0.00 0.00 SOLV ATOM 30853 OH2 TIP3 8287 39.630 5.457 -16.852 0.00 0.00 SOLV ATOM 30854 H1 TIP3 8287 40.337 4.992 -16.470 0.00 0.00 SOLV ATOM 30855 H2 TIP3 8287 39.223 4.861 -17.479 0.00 0.00 SOLV ATOM 30856 OH2 TIP3 8288 43.448 11.891 -24.679 0.00 0.00 SOLV ATOM 30857 H1 TIP3 8288 43.030 11.879 -25.506 0.00 0.00 SOLV ATOM 30858 H2 TIP3 8288 43.667 10.954 -24.521 0.00 0.00 SOLV ATOM 30859 OH2 TIP3 8289 27.164 -20.033 -28.205 0.00 0.00 SOLV ATOM 30860 H1 TIP3 8289 26.233 -20.052 -27.960 0.00 0.00 SOLV ATOM 30861 H2 TIP3 8289 27.452 -19.135 -27.880 0.00 0.00 SOLV ATOM 30862 OH2 TIP3 8290 43.971 7.524 -16.570 0.00 0.00 SOLV ATOM 30863 H1 TIP3 8290 43.469 8.272 -16.831 0.00 0.00 SOLV ATOM 30864 H2 TIP3 8290 43.392 7.185 -15.876 0.00 0.00 SOLV ATOM 30865 OH2 TIP3 8291 33.726 5.648 -30.429 0.00 0.00 SOLV ATOM 30866 H1 TIP3 8291 34.375 6.001 -31.124 0.00 0.00 SOLV ATOM 30867 H2 TIP3 8291 34.278 5.223 -29.662 0.00 0.00 SOLV ATOM 30868 OH2 TIP3 8292 38.363 -3.618 -19.225 0.00 0.00 SOLV ATOM 30869 H1 TIP3 8292 38.422 -2.713 -19.580 0.00 0.00 SOLV ATOM 30870 H2 TIP3 8292 37.774 -3.533 -18.489 0.00 0.00 SOLV ATOM 30871 OH2 TIP3 8293 38.965 -10.354 -15.731 0.00 0.00 SOLV ATOM 30872 H1 TIP3 8293 38.298 -10.273 -14.978 0.00 0.00 SOLV ATOM 30873 H2 TIP3 8293 39.350 -11.255 -15.659 0.00 0.00 SOLV ATOM 30874 OH2 TIP3 8294 38.551 4.544 -22.123 0.00 0.00 SOLV ATOM 30875 H1 TIP3 8294 38.035 5.370 -22.187 0.00 0.00 SOLV ATOM 30876 H2 TIP3 8294 39.214 4.705 -21.443 0.00 0.00 SOLV ATOM 30877 OH2 TIP3 8295 34.917 4.425 -40.106 0.00 0.00 SOLV ATOM 30878 H1 TIP3 8295 35.187 3.511 -40.372 0.00 0.00 SOLV ATOM 30879 H2 TIP3 8295 34.152 4.674 -40.677 0.00 0.00 SOLV ATOM 30880 OH2 TIP3 8296 44.371 -4.176 -16.717 0.00 0.00 SOLV ATOM 30881 H1 TIP3 8296 44.840 -5.002 -17.121 0.00 0.00 SOLV ATOM 30882 H2 TIP3 8296 43.610 -3.973 -17.296 0.00 0.00 SOLV ATOM 30883 OH2 TIP3 8297 38.158 -4.364 -13.720 0.00 0.00 SOLV ATOM 30884 H1 TIP3 8297 38.692 -3.958 -12.999 0.00 0.00 SOLV ATOM 30885 H2 TIP3 8297 38.086 -3.637 -14.307 0.00 0.00 SOLV ATOM 30886 OH2 TIP3 8298 40.826 -8.326 -16.218 0.00 0.00 SOLV ATOM 30887 H1 TIP3 8298 40.128 -9.058 -16.361 0.00 0.00 SOLV ATOM 30888 H2 TIP3 8298 40.336 -7.714 -15.758 0.00 0.00 SOLV ATOM 30889 OH2 TIP3 8299 33.763 -7.244 -39.411 0.00 0.00 SOLV ATOM 30890 H1 TIP3 8299 34.372 -6.868 -38.776 0.00 0.00 SOLV ATOM 30891 H2 TIP3 8299 34.169 -8.161 -39.476 0.00 0.00 SOLV ATOM 30892 OH2 TIP3 8300 37.185 6.923 -26.243 0.00 0.00 SOLV ATOM 30893 H1 TIP3 8300 37.239 6.668 -27.213 0.00 0.00 SOLV ATOM 30894 H2 TIP3 8300 37.131 6.005 -25.798 0.00 0.00 SOLV ATOM 30895 OH2 TIP3 8301 42.806 6.406 -20.111 0.00 0.00 SOLV ATOM 30896 H1 TIP3 8301 42.827 6.344 -21.100 0.00 0.00 SOLV ATOM 30897 H2 TIP3 8301 42.667 7.327 -19.902 0.00 0.00 SOLV ATOM 30898 OH2 TIP3 8302 40.474 5.013 -20.173 0.00 0.00 SOLV ATOM 30899 H1 TIP3 8302 41.408 5.321 -19.958 0.00 0.00 SOLV ATOM 30900 H2 TIP3 8302 40.384 4.196 -19.717 0.00 0.00 SOLV ATOM 30901 OH2 TIP3 8303 33.708 12.038 -5.587 0.00 0.00 SOLV ATOM 30902 H1 TIP3 8303 33.537 12.443 -6.441 0.00 0.00 SOLV ATOM 30903 H2 TIP3 8303 34.202 12.793 -5.193 0.00 0.00 SOLV ATOM 30904 OH2 TIP3 8304 41.424 7.226 -26.710 0.00 0.00 SOLV ATOM 30905 H1 TIP3 8304 40.855 7.942 -27.075 0.00 0.00 SOLV ATOM 30906 H2 TIP3 8304 40.871 6.472 -26.678 0.00 0.00 SOLV ATOM 30907 OH2 TIP3 8305 29.901 3.059 -28.696 0.00 0.00 SOLV ATOM 30908 H1 TIP3 8305 30.536 2.307 -28.806 0.00 0.00 SOLV ATOM 30909 H2 TIP3 8305 29.110 2.680 -28.242 0.00 0.00 SOLV ATOM 30910 OH2 TIP3 8306 19.696 16.662 -24.752 0.00 0.00 SOLV ATOM 30911 H1 TIP3 8306 19.648 16.060 -25.527 0.00 0.00 SOLV ATOM 30912 H2 TIP3 8306 20.661 16.890 -24.703 0.00 0.00 SOLV ATOM 30913 OH2 TIP3 8307 36.352 1.474 -13.383 0.00 0.00 SOLV ATOM 30914 H1 TIP3 8307 35.716 0.736 -13.561 0.00 0.00 SOLV ATOM 30915 H2 TIP3 8307 35.758 2.248 -13.507 0.00 0.00 SOLV ATOM 30916 OH2 TIP3 8308 33.372 8.411 -32.960 0.00 0.00 SOLV ATOM 30917 H1 TIP3 8308 33.506 8.669 -32.057 0.00 0.00 SOLV ATOM 30918 H2 TIP3 8308 33.962 7.653 -33.034 0.00 0.00 SOLV ATOM 30919 OH2 TIP3 8309 41.005 6.024 -35.253 0.00 0.00 SOLV ATOM 30920 H1 TIP3 8309 40.750 6.705 -34.633 0.00 0.00 SOLV ATOM 30921 H2 TIP3 8309 40.455 6.370 -36.001 0.00 0.00 SOLV ATOM 30922 OH2 TIP3 8310 40.158 14.989 -9.658 0.00 0.00 SOLV ATOM 30923 H1 TIP3 8310 41.013 15.479 -9.779 0.00 0.00 SOLV ATOM 30924 H2 TIP3 8310 39.634 15.430 -10.323 0.00 0.00 SOLV ATOM 30925 OH2 TIP3 8311 31.091 -12.719 -11.257 0.00 0.00 SOLV ATOM 30926 H1 TIP3 8311 30.649 -12.833 -10.363 0.00 0.00 SOLV ATOM 30927 H2 TIP3 8311 30.594 -13.273 -11.792 0.00 0.00 SOLV ATOM 30928 OH2 TIP3 8312 40.641 0.929 -16.679 0.00 0.00 SOLV ATOM 30929 H1 TIP3 8312 39.896 1.484 -16.218 0.00 0.00 SOLV ATOM 30930 H2 TIP3 8312 40.522 0.071 -16.253 0.00 0.00 SOLV ATOM 30931 OH2 TIP3 8313 32.592 -7.221 -42.182 0.00 0.00 SOLV ATOM 30932 H1 TIP3 8313 33.079 -7.032 -41.356 0.00 0.00 SOLV ATOM 30933 H2 TIP3 8313 32.010 -6.544 -42.182 0.00 0.00 SOLV ATOM 30934 OH2 TIP3 8314 43.061 4.868 -17.187 0.00 0.00 SOLV ATOM 30935 H1 TIP3 8314 43.466 5.722 -17.108 0.00 0.00 SOLV ATOM 30936 H2 TIP3 8314 43.464 4.411 -17.961 0.00 0.00 SOLV ATOM 30937 OH2 TIP3 8315 32.742 13.006 -35.741 0.00 0.00 SOLV ATOM 30938 H1 TIP3 8315 32.487 12.423 -35.085 0.00 0.00 SOLV ATOM 30939 H2 TIP3 8315 32.028 12.835 -36.330 0.00 0.00 SOLV ATOM 30940 OH2 TIP3 8316 41.978 10.997 -15.440 0.00 0.00 SOLV ATOM 30941 H1 TIP3 8316 42.886 11.159 -15.683 0.00 0.00 SOLV ATOM 30942 H2 TIP3 8316 41.819 10.240 -15.902 0.00 0.00 SOLV ATOM 30943 OH2 TIP3 8317 29.959 9.745 -23.217 0.00 0.00 SOLV ATOM 30944 H1 TIP3 8317 30.809 9.279 -23.378 0.00 0.00 SOLV ATOM 30945 H2 TIP3 8317 29.445 9.020 -22.858 0.00 0.00 SOLV ATOM 30946 OH2 TIP3 8318 40.148 8.068 -33.785 0.00 0.00 SOLV ATOM 30947 H1 TIP3 8318 40.631 7.618 -33.041 0.00 0.00 SOLV ATOM 30948 H2 TIP3 8318 40.191 8.987 -33.633 0.00 0.00 SOLV ATOM 30949 OH2 TIP3 8319 39.863 15.859 -27.537 0.00 0.00 SOLV ATOM 30950 H1 TIP3 8319 39.394 15.935 -28.390 0.00 0.00 SOLV ATOM 30951 H2 TIP3 8319 39.361 15.163 -27.121 0.00 0.00 SOLV ATOM 30952 OH2 TIP3 8320 35.217 8.812 -22.336 0.00 0.00 SOLV ATOM 30953 H1 TIP3 8320 34.488 8.686 -21.629 0.00 0.00 SOLV ATOM 30954 H2 TIP3 8320 35.640 9.637 -22.098 0.00 0.00 SOLV ATOM 30955 OH2 TIP3 8321 28.220 -0.315 -37.269 0.00 0.00 SOLV ATOM 30956 H1 TIP3 8321 29.002 -0.349 -37.781 0.00 0.00 SOLV ATOM 30957 H2 TIP3 8321 28.226 0.622 -36.888 0.00 0.00 SOLV ATOM 30958 OH2 TIP3 8322 35.234 15.335 -10.419 0.00 0.00 SOLV ATOM 30959 H1 TIP3 8322 35.280 15.144 -9.522 0.00 0.00 SOLV ATOM 30960 H2 TIP3 8322 36.145 15.128 -10.648 0.00 0.00 SOLV ATOM 30961 OH2 TIP3 8323 45.059 13.557 -23.507 0.00 0.00 SOLV ATOM 30962 H1 TIP3 8323 44.519 12.940 -24.056 0.00 0.00 SOLV ATOM 30963 H2 TIP3 8323 44.982 13.050 -22.645 0.00 0.00 SOLV ATOM 30964 OH2 TIP3 8324 35.607 8.434 -41.635 0.00 0.00 SOLV ATOM 30965 H1 TIP3 8324 36.146 9.247 -41.613 0.00 0.00 SOLV ATOM 30966 H2 TIP3 8324 35.493 8.290 -40.666 0.00 0.00 SOLV ATOM 30967 OH2 TIP3 8325 35.598 -12.222 -19.774 0.00 0.00 SOLV ATOM 30968 H1 TIP3 8325 35.640 -13.158 -19.492 0.00 0.00 SOLV ATOM 30969 H2 TIP3 8325 36.453 -11.845 -19.445 0.00 0.00 SOLV ATOM 30970 OH2 TIP3 8326 30.325 -16.703 -22.108 0.00 0.00 SOLV ATOM 30971 H1 TIP3 8326 30.309 -17.584 -21.642 0.00 0.00 SOLV ATOM 30972 H2 TIP3 8326 30.123 -16.993 -23.017 0.00 0.00 SOLV ATOM 30973 OH2 TIP3 8327 42.417 0.843 -27.140 0.00 0.00 SOLV ATOM 30974 H1 TIP3 8327 42.764 0.986 -26.223 0.00 0.00 SOLV ATOM 30975 H2 TIP3 8327 42.886 1.590 -27.624 0.00 0.00 SOLV ATOM 30976 OH2 TIP3 8328 45.177 -1.460 -20.056 0.00 0.00 SOLV ATOM 30977 H1 TIP3 8328 45.732 -2.168 -19.837 0.00 0.00 SOLV ATOM 30978 H2 TIP3 8328 45.091 -1.473 -21.062 0.00 0.00 SOLV ATOM 30979 OH2 TIP3 8329 36.729 -3.379 -23.446 0.00 0.00 SOLV ATOM 30980 H1 TIP3 8329 36.059 -3.962 -23.887 0.00 0.00 SOLV ATOM 30981 H2 TIP3 8329 36.146 -2.758 -22.988 0.00 0.00 SOLV ATOM 30982 OH2 TIP3 8330 34.134 1.956 -7.123 0.00 0.00 SOLV ATOM 30983 H1 TIP3 8330 34.603 1.193 -6.753 0.00 0.00 SOLV ATOM 30984 H2 TIP3 8330 34.477 1.941 -8.058 0.00 0.00 SOLV ATOM 30985 OH2 TIP3 8331 39.713 -2.848 -26.173 0.00 0.00 SOLV ATOM 30986 H1 TIP3 8331 39.737 -2.878 -25.243 0.00 0.00 SOLV ATOM 30987 H2 TIP3 8331 39.467 -1.904 -26.396 0.00 0.00 SOLV ATOM 30988 OH2 TIP3 8332 42.511 6.505 -14.607 0.00 0.00 SOLV ATOM 30989 H1 TIP3 8332 41.818 7.075 -14.301 0.00 0.00 SOLV ATOM 30990 H2 TIP3 8332 41.990 5.854 -15.002 0.00 0.00 SOLV ATOM 30991 OH2 TIP3 8333 44.882 2.403 -15.730 0.00 0.00 SOLV ATOM 30992 H1 TIP3 8333 44.636 1.666 -15.112 0.00 0.00 SOLV ATOM 30993 H2 TIP3 8333 45.569 2.921 -15.195 0.00 0.00 SOLV ATOM 30994 OH2 TIP3 8334 31.885 11.802 -46.987 0.00 0.00 SOLV ATOM 30995 H1 TIP3 8334 32.326 12.052 -47.805 0.00 0.00 SOLV ATOM 30996 H2 TIP3 8334 32.491 12.295 -46.405 0.00 0.00 SOLV ATOM 30997 OH2 TIP3 8335 40.052 1.106 -29.785 0.00 0.00 SOLV ATOM 30998 H1 TIP3 8335 39.769 0.454 -30.458 0.00 0.00 SOLV ATOM 30999 H2 TIP3 8335 40.611 1.624 -30.312 0.00 0.00 SOLV ATOM 31000 OH2 TIP3 8336 35.701 2.001 -32.909 0.00 0.00 SOLV ATOM 31001 H1 TIP3 8336 34.823 2.162 -32.491 0.00 0.00 SOLV ATOM 31002 H2 TIP3 8336 35.599 2.582 -33.717 0.00 0.00 SOLV ATOM 31003 OH2 TIP3 8337 29.125 5.721 -1.825 0.00 0.00 SOLV ATOM 31004 H1 TIP3 8337 29.167 6.610 -1.396 0.00 0.00 SOLV ATOM 31005 H2 TIP3 8337 29.594 5.163 -1.243 0.00 0.00 SOLV ATOM 31006 OH2 TIP3 8338 44.326 9.741 -13.832 0.00 0.00 SOLV ATOM 31007 H1 TIP3 8338 44.882 10.132 -13.109 0.00 0.00 SOLV ATOM 31008 H2 TIP3 8338 43.722 9.258 -13.297 0.00 0.00 SOLV ATOM 31009 OH2 TIP3 8339 45.521 6.690 -20.356 0.00 0.00 SOLV ATOM 31010 H1 TIP3 8339 45.148 7.434 -20.791 0.00 0.00 SOLV ATOM 31011 H2 TIP3 8339 44.700 6.175 -20.105 0.00 0.00 SOLV ATOM 31012 OH2 TIP3 8340 18.347 -2.042 -7.611 0.00 0.00 SOLV ATOM 31013 H1 TIP3 8340 18.749 -2.836 -7.098 0.00 0.00 SOLV ATOM 31014 H2 TIP3 8340 18.022 -1.458 -6.940 0.00 0.00 SOLV ATOM 31015 OH2 TIP3 8341 40.951 15.721 -18.978 0.00 0.00 SOLV ATOM 31016 H1 TIP3 8341 40.611 14.877 -18.778 0.00 0.00 SOLV ATOM 31017 H2 TIP3 8341 41.368 15.935 -18.140 0.00 0.00 SOLV ATOM 31018 OH2 TIP3 8342 34.780 0.590 -22.110 0.00 0.00 SOLV ATOM 31019 H1 TIP3 8342 33.961 0.085 -22.169 0.00 0.00 SOLV ATOM 31020 H2 TIP3 8342 34.559 1.412 -22.444 0.00 0.00 SOLV ATOM 31021 OH2 TIP3 8343 42.120 14.572 -26.463 0.00 0.00 SOLV ATOM 31022 H1 TIP3 8343 41.700 13.843 -26.917 0.00 0.00 SOLV ATOM 31023 H2 TIP3 8343 41.569 15.342 -26.657 0.00 0.00 SOLV ATOM 31024 OH2 TIP3 8344 44.750 10.875 -16.422 0.00 0.00 SOLV ATOM 31025 H1 TIP3 8344 45.218 11.570 -15.997 0.00 0.00 SOLV ATOM 31026 H2 TIP3 8344 44.642 10.148 -15.792 0.00 0.00 SOLV ATOM 31027 OH2 TIP3 8345 39.924 -0.266 -7.610 0.00 0.00 SOLV ATOM 31028 H1 TIP3 8345 40.029 0.648 -7.725 0.00 0.00 SOLV ATOM 31029 H2 TIP3 8345 39.176 -0.328 -6.985 0.00 0.00 SOLV ATOM 31030 OH2 TIP3 8346 42.740 15.896 -10.998 0.00 0.00 SOLV ATOM 31031 H1 TIP3 8346 42.728 16.700 -11.597 0.00 0.00 SOLV ATOM 31032 H2 TIP3 8346 43.299 16.262 -10.251 0.00 0.00 SOLV ATOM 31033 OH2 TIP3 8347 43.840 13.663 -14.873 0.00 0.00 SOLV ATOM 31034 H1 TIP3 8347 44.792 13.693 -14.893 0.00 0.00 SOLV ATOM 31035 H2 TIP3 8347 43.634 13.133 -14.132 0.00 0.00 SOLV ATOM 31036 OH2 TIP3 8348 43.236 6.970 -10.715 0.00 0.00 SOLV ATOM 31037 H1 TIP3 8348 44.085 7.139 -11.216 0.00 0.00 SOLV ATOM 31038 H2 TIP3 8348 43.601 6.580 -9.921 0.00 0.00 SOLV ATOM 31039 OH2 TIP3 8349 39.923 -2.982 -11.737 0.00 0.00 SOLV ATOM 31040 H1 TIP3 8349 40.310 -2.512 -10.993 0.00 0.00 SOLV ATOM 31041 H2 TIP3 8349 39.100 -2.457 -11.906 0.00 0.00 SOLV ATOM 31042 OH2 TIP3 8350 36.518 -1.920 -38.718 0.00 0.00 SOLV ATOM 31043 H1 TIP3 8350 36.092 -1.815 -37.845 0.00 0.00 SOLV ATOM 31044 H2 TIP3 8350 36.842 -2.862 -38.804 0.00 0.00 SOLV ATOM 31045 OH2 TIP3 8351 35.799 14.923 -5.107 0.00 0.00 SOLV ATOM 31046 H1 TIP3 8351 35.644 15.506 -4.353 0.00 0.00 SOLV ATOM 31047 H2 TIP3 8351 36.007 14.075 -4.644 0.00 0.00 SOLV ATOM 31048 OH2 TIP3 8352 40.729 -8.565 -22.909 0.00 0.00 SOLV ATOM 31049 H1 TIP3 8352 40.585 -9.031 -22.049 0.00 0.00 SOLV ATOM 31050 H2 TIP3 8352 41.257 -7.748 -22.749 0.00 0.00 SOLV ATOM 31051 OH2 TIP3 8353 37.830 -5.409 -21.918 0.00 0.00 SOLV ATOM 31052 H1 TIP3 8353 37.249 -4.719 -22.338 0.00 0.00 SOLV ATOM 31053 H2 TIP3 8353 38.113 -4.943 -21.132 0.00 0.00 SOLV ATOM 31054 OH2 TIP3 8354 39.094 0.779 -24.928 0.00 0.00 SOLV ATOM 31055 H1 TIP3 8354 38.962 -0.104 -24.502 0.00 0.00 SOLV ATOM 31056 H2 TIP3 8354 39.313 0.504 -25.821 0.00 0.00 SOLV ATOM 31057 OH2 TIP3 8355 44.895 1.422 -22.291 0.00 0.00 SOLV ATOM 31058 H1 TIP3 8355 44.371 2.186 -22.626 0.00 0.00 SOLV ATOM 31059 H2 TIP3 8355 44.214 0.760 -22.098 0.00 0.00 SOLV ATOM 31060 OH2 TIP3 8356 46.517 8.310 -17.314 0.00 0.00 SOLV ATOM 31061 H1 TIP3 8356 46.326 8.483 -18.216 0.00 0.00 SOLV ATOM 31062 H2 TIP3 8356 45.688 7.834 -16.993 0.00 0.00 SOLV ATOM 31063 OH2 TIP3 8357 38.881 4.894 -13.107 0.00 0.00 SOLV ATOM 31064 H1 TIP3 8357 39.802 4.625 -13.203 0.00 0.00 SOLV ATOM 31065 H2 TIP3 8357 38.771 4.722 -12.162 0.00 0.00 SOLV ATOM 31066 OH2 TIP3 8358 42.662 4.431 -12.188 0.00 0.00 SOLV ATOM 31067 H1 TIP3 8358 42.502 4.621 -13.167 0.00 0.00 SOLV ATOM 31068 H2 TIP3 8358 42.840 5.314 -11.835 0.00 0.00 SOLV ATOM 31069 OH2 TIP3 8359 42.852 8.567 -29.229 0.00 0.00 SOLV ATOM 31070 H1 TIP3 8359 43.769 8.469 -29.517 0.00 0.00 SOLV ATOM 31071 H2 TIP3 8359 42.954 8.934 -28.333 0.00 0.00 SOLV ATOM 31072 OH2 TIP3 8360 22.427 -6.449 -39.053 0.00 0.00 SOLV ATOM 31073 H1 TIP3 8360 22.354 -5.693 -38.551 0.00 0.00 SOLV ATOM 31074 H2 TIP3 8360 22.314 -7.129 -38.369 0.00 0.00 SOLV ATOM 31075 OH2 TIP3 8361 38.850 -0.947 -31.434 0.00 0.00 SOLV ATOM 31076 H1 TIP3 8361 39.350 -1.737 -31.490 0.00 0.00 SOLV ATOM 31077 H2 TIP3 8361 38.306 -0.926 -32.241 0.00 0.00 SOLV ATOM 31078 OH2 TIP3 8362 33.836 8.879 -30.501 0.00 0.00 SOLV ATOM 31079 H1 TIP3 8362 33.829 9.845 -30.449 0.00 0.00 SOLV ATOM 31080 H2 TIP3 8362 34.768 8.755 -30.712 0.00 0.00 SOLV ATOM 31081 OH2 TIP3 8363 31.481 13.963 -42.591 0.00 0.00 SOLV ATOM 31082 H1 TIP3 8363 31.581 13.863 -41.632 0.00 0.00 SOLV ATOM 31083 H2 TIP3 8363 31.789 13.141 -42.946 0.00 0.00 SOLV ATOM 31084 OH2 TIP3 8364 37.449 10.792 -21.245 0.00 0.00 SOLV ATOM 31085 H1 TIP3 8364 37.331 11.611 -20.804 0.00 0.00 SOLV ATOM 31086 H2 TIP3 8364 38.452 10.783 -21.258 0.00 0.00 SOLV ATOM 31087 OH2 TIP3 8365 34.765 14.743 -13.242 0.00 0.00 SOLV ATOM 31088 H1 TIP3 8365 34.928 14.763 -12.320 0.00 0.00 SOLV ATOM 31089 H2 TIP3 8365 35.158 13.925 -13.493 0.00 0.00 SOLV ATOM 31090 OH2 TIP3 8366 38.086 -0.891 -19.722 0.00 0.00 SOLV ATOM 31091 H1 TIP3 8366 37.999 -0.514 -18.832 0.00 0.00 SOLV ATOM 31092 H2 TIP3 8366 38.333 -0.059 -20.162 0.00 0.00 SOLV ATOM 31093 OH2 TIP3 8367 37.791 2.525 -29.010 0.00 0.00 SOLV ATOM 31094 H1 TIP3 8367 37.272 1.773 -29.330 0.00 0.00 SOLV ATOM 31095 H2 TIP3 8367 38.677 2.085 -28.900 0.00 0.00 SOLV ATOM 31096 OH2 TIP3 8368 43.305 8.539 -25.285 0.00 0.00 SOLV ATOM 31097 H1 TIP3 8368 42.659 8.009 -25.880 0.00 0.00 SOLV ATOM 31098 H2 TIP3 8368 43.910 8.836 -25.855 0.00 0.00 SOLV ATOM 31099 OH2 TIP3 8369 40.474 13.437 -17.254 0.00 0.00 SOLV ATOM 31100 H1 TIP3 8369 41.441 13.249 -17.284 0.00 0.00 SOLV ATOM 31101 H2 TIP3 8369 40.177 13.230 -16.344 0.00 0.00 SOLV ATOM 31102 OH2 TIP3 8370 38.090 3.046 -10.293 0.00 0.00 SOLV ATOM 31103 H1 TIP3 8370 39.016 2.960 -10.247 0.00 0.00 SOLV ATOM 31104 H2 TIP3 8370 37.967 3.985 -10.094 0.00 0.00 SOLV ATOM 31105 OH2 TIP3 8371 26.728 -2.995 -36.742 0.00 0.00 SOLV ATOM 31106 H1 TIP3 8371 26.982 -2.108 -36.383 0.00 0.00 SOLV ATOM 31107 H2 TIP3 8371 25.911 -2.808 -37.173 0.00 0.00 SOLV ATOM 31108 OH2 TIP3 8372 42.913 0.402 -24.334 0.00 0.00 SOLV ATOM 31109 H1 TIP3 8372 42.540 0.209 -23.461 0.00 0.00 SOLV ATOM 31110 H2 TIP3 8372 43.410 1.236 -24.138 0.00 0.00 SOLV ATOM 31111 OH2 TIP3 8373 43.819 -0.528 -16.805 0.00 0.00 SOLV ATOM 31112 H1 TIP3 8373 44.588 -1.153 -16.663 0.00 0.00 SOLV ATOM 31113 H2 TIP3 8373 43.796 0.128 -16.059 0.00 0.00 SOLV ATOM 31114 OH2 TIP3 8374 34.266 -2.840 -34.559 0.00 0.00 SOLV ATOM 31115 H1 TIP3 8374 34.674 -2.905 -33.663 0.00 0.00 SOLV ATOM 31116 H2 TIP3 8374 34.908 -2.226 -34.998 0.00 0.00 SOLV ATOM 31117 OH2 TIP3 8375 38.875 2.775 -15.720 0.00 0.00 SOLV ATOM 31118 H1 TIP3 8375 38.742 3.136 -16.660 0.00 0.00 SOLV ATOM 31119 H2 TIP3 8375 38.242 3.298 -15.176 0.00 0.00 SOLV ATOM 31120 OH2 TIP3 8376 36.642 12.666 -15.205 0.00 0.00 SOLV ATOM 31121 H1 TIP3 8376 35.754 12.382 -15.559 0.00 0.00 SOLV ATOM 31122 H2 TIP3 8376 36.947 13.101 -16.057 0.00 0.00 SOLV ATOM 31123 OH2 TIP3 8377 30.531 -5.286 -5.566 0.00 0.00 SOLV ATOM 31124 H1 TIP3 8377 29.873 -5.604 -4.889 0.00 0.00 SOLV ATOM 31125 H2 TIP3 8377 30.497 -5.937 -6.306 0.00 0.00 SOLV ATOM 31126 OH2 TIP3 8378 44.139 3.129 -24.671 0.00 0.00 SOLV ATOM 31127 H1 TIP3 8378 43.819 4.046 -24.659 0.00 0.00 SOLV ATOM 31128 H2 TIP3 8378 44.380 3.014 -25.561 0.00 0.00 SOLV ATOM 31129 OH2 TIP3 8379 31.821 1.391 -15.573 0.00 0.00 SOLV ATOM 31130 H1 TIP3 8379 31.995 1.248 -14.623 0.00 0.00 SOLV ATOM 31131 H2 TIP3 8379 30.888 1.661 -15.551 0.00 0.00 SOLV ATOM 31132 OH2 TIP3 8380 45.662 9.974 -24.319 0.00 0.00 SOLV ATOM 31133 H1 TIP3 8380 46.114 10.823 -24.480 0.00 0.00 SOLV ATOM 31134 H2 TIP3 8380 45.570 9.648 -25.239 0.00 0.00 SOLV ATOM 31135 OH2 TIP3 8381 18.309 -11.182 -22.485 0.00 0.00 SOLV ATOM 31136 H1 TIP3 8381 19.058 -11.522 -23.004 0.00 0.00 SOLV ATOM 31137 H2 TIP3 8381 17.764 -10.767 -23.185 0.00 0.00 SOLV ATOM 31138 OH2 TIP3 8382 29.912 14.848 -29.101 0.00 0.00 SOLV ATOM 31139 H1 TIP3 8382 30.488 15.054 -28.343 0.00 0.00 SOLV ATOM 31140 H2 TIP3 8382 29.577 13.977 -28.852 0.00 0.00 SOLV ATOM 31141 OH2 TIP3 8383 24.439 -0.883 -0.057 0.00 0.00 SOLV ATOM 31142 H1 TIP3 8383 23.550 -0.707 -0.359 0.00 0.00 SOLV ATOM 31143 H2 TIP3 8383 24.820 -1.513 -0.650 0.00 0.00 SOLV ATOM 31144 OH2 TIP3 8384 27.675 1.509 -8.120 0.00 0.00 SOLV ATOM 31145 H1 TIP3 8384 27.337 2.326 -8.530 0.00 0.00 SOLV ATOM 31146 H2 TIP3 8384 28.469 1.810 -7.703 0.00 0.00 SOLV ATOM 31147 OH2 TIP3 8385 8.075 6.072 6.746 0.00 0.00 SOLV ATOM 31148 H1 TIP3 8385 7.719 6.896 7.017 0.00 0.00 SOLV ATOM 31149 H2 TIP3 8385 8.900 6.026 7.309 0.00 0.00 SOLV ATOM 31150 OH2 TIP3 8386 27.327 -10.545 -35.993 0.00 0.00 SOLV ATOM 31151 H1 TIP3 8386 26.969 -10.714 -35.102 0.00 0.00 SOLV ATOM 31152 H2 TIP3 8386 27.823 -9.651 -35.900 0.00 0.00 SOLV ATOM 31153 OH2 TIP3 8387 26.947 -7.790 -12.809 0.00 0.00 SOLV ATOM 31154 H1 TIP3 8387 27.658 -8.459 -12.584 0.00 0.00 SOLV ATOM 31155 H2 TIP3 8387 26.580 -8.215 -13.702 0.00 0.00 SOLV ATOM 31156 OH2 TIP3 8388 32.084 -1.625 -30.373 0.00 0.00 SOLV ATOM 31157 H1 TIP3 8388 32.324 -1.592 -31.248 0.00 0.00 SOLV ATOM 31158 H2 TIP3 8388 31.337 -2.244 -30.370 0.00 0.00 SOLV ATOM 31159 OH2 TIP3 8389 21.684 0.259 -42.149 0.00 0.00 SOLV ATOM 31160 H1 TIP3 8389 20.768 0.453 -42.366 0.00 0.00 SOLV ATOM 31161 H2 TIP3 8389 21.775 -0.616 -42.505 0.00 0.00 SOLV ATOM 31162 OH2 TIP3 8390 27.519 10.161 -52.701 0.00 0.00 SOLV ATOM 31163 H1 TIP3 8390 26.899 9.394 -52.629 0.00 0.00 SOLV ATOM 31164 H2 TIP3 8390 27.237 10.585 -53.486 0.00 0.00 SOLV ATOM 31165 OH2 TIP3 8391 31.511 10.167 -9.590 0.00 0.00 SOLV ATOM 31166 H1 TIP3 8391 31.851 9.570 -8.937 0.00 0.00 SOLV ATOM 31167 H2 TIP3 8391 30.809 10.656 -9.035 0.00 0.00 SOLV ATOM 31168 OH2 TIP3 8392 20.062 11.565 -10.418 0.00 0.00 SOLV ATOM 31169 H1 TIP3 8392 20.193 12.457 -10.748 0.00 0.00 SOLV ATOM 31170 H2 TIP3 8392 19.203 11.296 -10.745 0.00 0.00 SOLV ATOM 31171 OH2 TIP3 8393 25.457 -19.195 -33.660 0.00 0.00 SOLV ATOM 31172 H1 TIP3 8393 25.598 -20.139 -33.873 0.00 0.00 SOLV ATOM 31173 H2 TIP3 8393 25.066 -19.266 -32.769 0.00 0.00 SOLV ATOM 31174 OH2 TIP3 8394 25.697 -3.999 -45.206 0.00 0.00 SOLV ATOM 31175 H1 TIP3 8394 26.468 -4.203 -45.707 0.00 0.00 SOLV ATOM 31176 H2 TIP3 8394 26.149 -3.625 -44.330 0.00 0.00 SOLV ATOM 31177 OH2 TIP3 8395 28.533 -15.011 -29.723 0.00 0.00 SOLV ATOM 31178 H1 TIP3 8395 28.802 -14.061 -29.901 0.00 0.00 SOLV ATOM 31179 H2 TIP3 8395 28.767 -15.094 -28.794 0.00 0.00 SOLV ATOM 31180 OH2 TIP3 8396 26.916 0.136 -42.463 0.00 0.00 SOLV ATOM 31181 H1 TIP3 8396 26.689 -0.094 -43.356 0.00 0.00 SOLV ATOM 31182 H2 TIP3 8396 27.841 0.192 -42.589 0.00 0.00 SOLV ATOM 31183 OH2 TIP3 8397 28.897 -9.616 -23.584 0.00 0.00 SOLV ATOM 31184 H1 TIP3 8397 29.024 -10.294 -24.259 0.00 0.00 SOLV ATOM 31185 H2 TIP3 8397 28.530 -10.187 -22.853 0.00 0.00 SOLV ATOM 31186 OH2 TIP3 8398 25.382 -1.492 -17.944 0.00 0.00 SOLV ATOM 31187 H1 TIP3 8398 25.922 -0.763 -17.777 0.00 0.00 SOLV ATOM 31188 H2 TIP3 8398 25.132 -1.692 -17.021 0.00 0.00 SOLV ATOM 31189 OH2 TIP3 8399 27.547 -9.079 -3.999 0.00 0.00 SOLV ATOM 31190 H1 TIP3 8399 27.428 -9.830 -4.679 0.00 0.00 SOLV ATOM 31191 H2 TIP3 8399 27.939 -9.439 -3.163 0.00 0.00 SOLV ATOM 31192 OH2 TIP3 8400 -7.879 -20.527 -10.194 0.00 0.00 SOLV ATOM 31193 H1 TIP3 8400 -7.431 -21.117 -10.755 0.00 0.00 SOLV ATOM 31194 H2 TIP3 8400 -8.282 -19.925 -10.767 0.00 0.00 SOLV ATOM 31195 OH2 TIP3 8401 14.633 -0.861 -40.831 0.00 0.00 SOLV ATOM 31196 H1 TIP3 8401 15.099 -0.007 -40.672 0.00 0.00 SOLV ATOM 31197 H2 TIP3 8401 15.406 -1.473 -40.856 0.00 0.00 SOLV ATOM 31198 OH2 TIP3 8402 27.658 -12.256 -29.878 0.00 0.00 SOLV ATOM 31199 H1 TIP3 8402 27.026 -12.648 -29.278 0.00 0.00 SOLV ATOM 31200 H2 TIP3 8402 27.128 -11.997 -30.673 0.00 0.00 SOLV ATOM 31201 OH2 TIP3 8403 26.480 -14.178 -20.803 0.00 0.00 SOLV ATOM 31202 H1 TIP3 8403 26.281 -13.379 -20.337 0.00 0.00 SOLV ATOM 31203 H2 TIP3 8403 27.439 -14.115 -20.721 0.00 0.00 SOLV ATOM 31204 OH2 TIP3 8404 28.799 -5.841 -17.007 0.00 0.00 SOLV ATOM 31205 H1 TIP3 8404 28.290 -5.438 -16.248 0.00 0.00 SOLV ATOM 31206 H2 TIP3 8404 28.164 -6.539 -17.286 0.00 0.00 SOLV ATOM 31207 OH2 TIP3 8405 39.984 -0.355 -27.345 0.00 0.00 SOLV ATOM 31208 H1 TIP3 8405 40.839 0.083 -27.096 0.00 0.00 SOLV ATOM 31209 H2 TIP3 8405 39.927 -0.111 -28.267 0.00 0.00 SOLV ATOM 31210 OH2 TIP3 8406 25.517 9.411 -29.926 0.00 0.00 SOLV ATOM 31211 H1 TIP3 8406 26.182 8.947 -29.348 0.00 0.00 SOLV ATOM 31212 H2 TIP3 8406 25.463 8.877 -30.774 0.00 0.00 SOLV ATOM 31213 OH2 TIP3 8407 -0.103 -7.266 -23.185 0.00 0.00 SOLV ATOM 31214 H1 TIP3 8407 0.659 -7.684 -22.656 0.00 0.00 SOLV ATOM 31215 H2 TIP3 8407 -0.463 -6.695 -22.535 0.00 0.00 SOLV ATOM 31216 OH2 TIP3 8408 28.172 17.447 -23.869 0.00 0.00 SOLV ATOM 31217 H1 TIP3 8408 28.629 17.904 -24.660 0.00 0.00 SOLV ATOM 31218 H2 TIP3 8408 27.252 17.609 -24.072 0.00 0.00 SOLV ATOM 31219 OH2 TIP3 8409 14.756 -14.022 -24.759 0.00 0.00 SOLV ATOM 31220 H1 TIP3 8409 14.885 -13.459 -25.525 0.00 0.00 SOLV ATOM 31221 H2 TIP3 8409 15.488 -14.643 -24.829 0.00 0.00 SOLV ATOM 31222 OH2 TIP3 8410 26.510 9.575 6.275 0.00 0.00 SOLV ATOM 31223 H1 TIP3 8410 26.776 8.619 6.326 0.00 0.00 SOLV ATOM 31224 H2 TIP3 8410 25.700 9.444 5.795 0.00 0.00 SOLV ATOM 31225 OH2 TIP3 8411 18.425 4.152 -44.662 0.00 0.00 SOLV ATOM 31226 H1 TIP3 8411 19.364 4.543 -44.608 0.00 0.00 SOLV ATOM 31227 H2 TIP3 8411 18.488 3.302 -45.270 0.00 0.00 SOLV ATOM 31228 OH2 TIP3 8412 12.372 0.549 -42.707 0.00 0.00 SOLV ATOM 31229 H1 TIP3 8412 12.150 0.367 -43.604 0.00 0.00 SOLV ATOM 31230 H2 TIP3 8412 13.325 0.423 -42.698 0.00 0.00 SOLV ATOM 31231 OH2 TIP3 8413 24.905 -22.030 -25.400 0.00 0.00 SOLV ATOM 31232 H1 TIP3 8413 25.419 -21.147 -25.312 0.00 0.00 SOLV ATOM 31233 H2 TIP3 8413 24.017 -21.856 -24.944 0.00 0.00 SOLV ATOM 31234 OH2 TIP3 8414 24.844 -12.079 -0.487 0.00 0.00 SOLV ATOM 31235 H1 TIP3 8414 25.448 -12.602 -0.994 0.00 0.00 SOLV ATOM 31236 H2 TIP3 8414 24.405 -12.796 0.057 0.00 0.00 SOLV ATOM 31237 OH2 TIP3 8415 30.816 -10.119 -32.979 0.00 0.00 SOLV ATOM 31238 H1 TIP3 8415 31.134 -10.480 -33.816 0.00 0.00 SOLV ATOM 31239 H2 TIP3 8415 30.913 -10.850 -32.337 0.00 0.00 SOLV ATOM 31240 OH2 TIP3 8416 4.307 3.766 -10.890 0.00 0.00 SOLV ATOM 31241 H1 TIP3 8416 5.049 3.270 -10.657 0.00 0.00 SOLV ATOM 31242 H2 TIP3 8416 4.406 4.648 -10.381 0.00 0.00 SOLV ATOM 31243 OH2 TIP3 8417 28.435 -9.964 -6.810 0.00 0.00 SOLV ATOM 31244 H1 TIP3 8417 27.681 -10.525 -6.816 0.00 0.00 SOLV ATOM 31245 H2 TIP3 8417 29.055 -10.491 -6.325 0.00 0.00 SOLV ATOM 31246 OH2 TIP3 8418 25.356 -10.145 -30.981 0.00 0.00 SOLV ATOM 31247 H1 TIP3 8418 24.548 -10.610 -31.064 0.00 0.00 SOLV ATOM 31248 H2 TIP3 8418 25.410 -9.956 -30.047 0.00 0.00 SOLV ATOM 31249 OH2 TIP3 8419 38.174 -7.881 -19.006 0.00 0.00 SOLV ATOM 31250 H1 TIP3 8419 38.882 -7.764 -19.608 0.00 0.00 SOLV ATOM 31251 H2 TIP3 8419 37.492 -8.392 -19.508 0.00 0.00 SOLV ATOM 31252 OH2 TIP3 8420 29.423 10.339 -32.472 0.00 0.00 SOLV ATOM 31253 H1 TIP3 8420 30.276 10.564 -32.913 0.00 0.00 SOLV ATOM 31254 H2 TIP3 8420 29.021 9.711 -33.075 0.00 0.00 SOLV ATOM 31255 OH2 TIP3 8421 29.226 -13.950 -21.011 0.00 0.00 SOLV ATOM 31256 H1 TIP3 8421 29.552 -14.839 -21.435 0.00 0.00 SOLV ATOM 31257 H2 TIP3 8421 29.551 -13.307 -21.626 0.00 0.00 SOLV ATOM 31258 OH2 TIP3 8422 24.779 -19.199 -31.042 0.00 0.00 SOLV ATOM 31259 H1 TIP3 8422 24.453 -19.817 -30.353 0.00 0.00 SOLV ATOM 31260 H2 TIP3 8422 24.476 -18.291 -30.872 0.00 0.00 SOLV ATOM 31261 OH2 TIP3 8423 26.589 -10.608 -21.726 0.00 0.00 SOLV ATOM 31262 H1 TIP3 8423 26.003 -11.112 -22.338 0.00 0.00 SOLV ATOM 31263 H2 TIP3 8423 26.130 -9.769 -21.595 0.00 0.00 SOLV ATOM 31264 OH2 TIP3 8424 24.851 -15.288 -34.735 0.00 0.00 SOLV ATOM 31265 H1 TIP3 8424 23.882 -15.387 -34.689 0.00 0.00 SOLV ATOM 31266 H2 TIP3 8424 25.056 -14.526 -35.343 0.00 0.00 SOLV ATOM 31267 OH2 TIP3 8425 28.944 -8.193 -38.135 0.00 0.00 SOLV ATOM 31268 H1 TIP3 8425 29.825 -8.351 -37.862 0.00 0.00 SOLV ATOM 31269 H2 TIP3 8425 29.028 -8.001 -39.095 0.00 0.00 SOLV ATOM 31270 OH2 TIP3 8426 24.712 -4.348 -7.011 0.00 0.00 SOLV ATOM 31271 H1 TIP3 8426 24.140 -4.909 -6.447 0.00 0.00 SOLV ATOM 31272 H2 TIP3 8426 24.137 -3.609 -7.108 0.00 0.00 SOLV ATOM 31273 OH2 TIP3 8427 30.949 -7.728 -31.035 0.00 0.00 SOLV ATOM 31274 H1 TIP3 8427 31.352 -8.332 -31.663 0.00 0.00 SOLV ATOM 31275 H2 TIP3 8427 30.294 -7.362 -31.642 0.00 0.00 SOLV ATOM 31276 OH2 TIP3 8428 24.501 5.452 -43.997 0.00 0.00 SOLV ATOM 31277 H1 TIP3 8428 23.785 5.074 -43.377 0.00 0.00 SOLV ATOM 31278 H2 TIP3 8428 24.027 6.141 -44.480 0.00 0.00 SOLV ATOM 31279 OH2 TIP3 8429 24.917 -13.119 -36.342 0.00 0.00 SOLV ATOM 31280 H1 TIP3 8429 24.656 -13.072 -37.222 0.00 0.00 SOLV ATOM 31281 H2 TIP3 8429 25.616 -12.486 -36.355 0.00 0.00 SOLV ATOM 31282 OH2 TIP3 8430 26.050 -16.603 -19.430 0.00 0.00 SOLV ATOM 31283 H1 TIP3 8430 26.282 -15.934 -20.079 0.00 0.00 SOLV ATOM 31284 H2 TIP3 8430 25.467 -16.143 -18.808 0.00 0.00 SOLV ATOM 31285 OH2 TIP3 8431 27.633 2.937 -11.648 0.00 0.00 SOLV ATOM 31286 H1 TIP3 8431 28.357 2.637 -11.222 0.00 0.00 SOLV ATOM 31287 H2 TIP3 8431 27.108 2.187 -11.886 0.00 0.00 SOLV ATOM 31288 OH2 TIP3 8432 17.191 0.352 -3.668 0.00 0.00 SOLV ATOM 31289 H1 TIP3 8432 17.271 0.253 -4.651 0.00 0.00 SOLV ATOM 31290 H2 TIP3 8432 18.077 0.659 -3.367 0.00 0.00 SOLV ATOM 31291 OH2 TIP3 8433 28.149 5.147 -52.538 0.00 0.00 SOLV ATOM 31292 H1 TIP3 8433 28.369 6.109 -52.590 0.00 0.00 SOLV ATOM 31293 H2 TIP3 8433 28.185 4.894 -53.521 0.00 0.00 SOLV ATOM 31294 OH2 TIP3 8434 27.776 1.869 -50.397 0.00 0.00 SOLV ATOM 31295 H1 TIP3 8434 27.842 2.797 -50.090 0.00 0.00 SOLV ATOM 31296 H2 TIP3 8434 26.956 1.556 -50.016 0.00 0.00 SOLV ATOM 31297 OH2 TIP3 8435 22.275 4.987 -42.338 0.00 0.00 SOLV ATOM 31298 H1 TIP3 8435 22.344 4.206 -41.667 0.00 0.00 SOLV ATOM 31299 H2 TIP3 8435 22.172 5.704 -41.720 0.00 0.00 SOLV ATOM 31300 OH2 TIP3 8436 32.411 1.043 -10.092 0.00 0.00 SOLV ATOM 31301 H1 TIP3 8436 32.716 0.178 -9.847 0.00 0.00 SOLV ATOM 31302 H2 TIP3 8436 33.196 1.601 -9.883 0.00 0.00 SOLV ATOM 31303 OH2 TIP3 8437 32.084 19.899 -23.876 0.00 0.00 SOLV ATOM 31304 H1 TIP3 8437 31.486 20.417 -24.439 0.00 0.00 SOLV ATOM 31305 H2 TIP3 8437 31.807 20.241 -22.995 0.00 0.00 SOLV ATOM 31306 OH2 TIP3 8438 28.517 -0.987 -9.576 0.00 0.00 SOLV ATOM 31307 H1 TIP3 8438 28.845 -0.107 -9.675 0.00 0.00 SOLV ATOM 31308 H2 TIP3 8438 27.823 -1.062 -10.132 0.00 0.00 SOLV ATOM 31309 OH2 TIP3 8439 9.371 -3.442 -43.133 0.00 0.00 SOLV ATOM 31310 H1 TIP3 8439 8.791 -2.661 -42.994 0.00 0.00 SOLV ATOM 31311 H2 TIP3 8439 8.969 -4.202 -42.648 0.00 0.00 SOLV ATOM 31312 OH2 TIP3 8440 26.773 -0.359 -45.371 0.00 0.00 SOLV ATOM 31313 H1 TIP3 8440 27.446 -0.908 -45.729 0.00 0.00 SOLV ATOM 31314 H2 TIP3 8440 26.732 0.384 -45.982 0.00 0.00 SOLV ATOM 31315 OH2 TIP3 8441 29.343 12.958 -26.252 0.00 0.00 SOLV ATOM 31316 H1 TIP3 8441 30.219 12.880 -25.890 0.00 0.00 SOLV ATOM 31317 H2 TIP3 8441 29.063 12.015 -26.231 0.00 0.00 SOLV ATOM 31318 OH2 TIP3 8442 40.825 10.972 -33.131 0.00 0.00 SOLV ATOM 31319 H1 TIP3 8442 40.760 10.651 -32.174 0.00 0.00 SOLV ATOM 31320 H2 TIP3 8442 40.424 11.841 -33.183 0.00 0.00 SOLV ATOM 31321 OH2 TIP3 8443 20.052 20.781 -16.003 0.00 0.00 SOLV ATOM 31322 H1 TIP3 8443 19.951 19.869 -15.743 0.00 0.00 SOLV ATOM 31323 H2 TIP3 8443 20.512 21.156 -15.232 0.00 0.00 SOLV ATOM 31324 OH2 TIP3 8444 32.910 1.289 -12.889 0.00 0.00 SOLV ATOM 31325 H1 TIP3 8444 33.324 2.151 -12.616 0.00 0.00 SOLV ATOM 31326 H2 TIP3 8444 32.428 0.963 -12.151 0.00 0.00 SOLV ATOM 31327 OH2 TIP3 8445 25.508 10.852 -12.720 0.00 0.00 SOLV ATOM 31328 H1 TIP3 8445 25.006 11.726 -12.874 0.00 0.00 SOLV ATOM 31329 H2 TIP3 8445 26.145 10.892 -13.482 0.00 0.00 SOLV ATOM 31330 OH2 TIP3 8446 25.169 22.634 -14.943 0.00 0.00 SOLV ATOM 31331 H1 TIP3 8446 25.718 22.166 -14.329 0.00 0.00 SOLV ATOM 31332 H2 TIP3 8446 24.538 22.046 -15.235 0.00 0.00 SOLV ATOM 31333 OH2 TIP3 8447 33.260 -1.379 -8.551 0.00 0.00 SOLV ATOM 31334 H1 TIP3 8447 32.516 -1.984 -8.679 0.00 0.00 SOLV ATOM 31335 H2 TIP3 8447 33.838 -1.753 -9.235 0.00 0.00 SOLV ATOM 31336 OH2 TIP3 8448 33.399 13.970 -30.836 0.00 0.00 SOLV ATOM 31337 H1 TIP3 8448 32.577 13.436 -31.022 0.00 0.00 SOLV ATOM 31338 H2 TIP3 8448 33.074 14.864 -30.751 0.00 0.00 SOLV ATOM 31339 OH2 TIP3 8449 36.869 13.669 -30.795 0.00 0.00 SOLV ATOM 31340 H1 TIP3 8449 35.921 13.580 -30.565 0.00 0.00 SOLV ATOM 31341 H2 TIP3 8449 36.802 13.723 -31.762 0.00 0.00 SOLV ATOM 31342 OH2 TIP3 8450 11.745 -4.180 -9.082 0.00 0.00 SOLV ATOM 31343 H1 TIP3 8450 11.914 -3.249 -8.864 0.00 0.00 SOLV ATOM 31344 H2 TIP3 8450 10.967 -4.050 -9.622 0.00 0.00 SOLV ATOM 31345 OH2 TIP3 8451 29.769 9.298 -3.195 0.00 0.00 SOLV ATOM 31346 H1 TIP3 8451 30.676 9.460 -2.992 0.00 0.00 SOLV ATOM 31347 H2 TIP3 8451 29.439 10.186 -3.010 0.00 0.00 SOLV ATOM 31348 OH2 TIP3 8452 24.533 5.186 -48.155 0.00 0.00 SOLV ATOM 31349 H1 TIP3 8452 24.448 6.053 -47.776 0.00 0.00 SOLV ATOM 31350 H2 TIP3 8452 24.531 5.396 -49.119 0.00 0.00 SOLV ATOM 31351 OH2 TIP3 8453 28.833 1.971 -33.199 0.00 0.00 SOLV ATOM 31352 H1 TIP3 8453 28.695 2.167 -32.276 0.00 0.00 SOLV ATOM 31353 H2 TIP3 8453 29.447 1.316 -33.095 0.00 0.00 SOLV ATOM 31354 OH2 TIP3 8454 41.989 9.026 -20.088 0.00 0.00 SOLV ATOM 31355 H1 TIP3 8454 42.649 9.424 -19.476 0.00 0.00 SOLV ATOM 31356 H2 TIP3 8454 41.554 9.807 -20.526 0.00 0.00 SOLV ATOM 31357 OH2 TIP3 8455 27.831 14.927 3.586 0.00 0.00 SOLV ATOM 31358 H1 TIP3 8455 27.391 15.528 4.160 0.00 0.00 SOLV ATOM 31359 H2 TIP3 8455 28.641 15.465 3.286 0.00 0.00 SOLV ATOM 31360 OH2 TIP3 8456 27.442 -0.288 -15.242 0.00 0.00 SOLV ATOM 31361 H1 TIP3 8456 26.708 -0.861 -15.004 0.00 0.00 SOLV ATOM 31362 H2 TIP3 8456 28.122 -0.652 -14.722 0.00 0.00 SOLV ATOM 31363 OH2 TIP3 8457 27.242 16.132 6.162 0.00 0.00 SOLV ATOM 31364 H1 TIP3 8457 27.080 15.519 6.864 0.00 0.00 SOLV ATOM 31365 H2 TIP3 8457 26.357 16.293 5.815 0.00 0.00 SOLV ATOM 31366 OH2 TIP3 8458 29.746 16.268 -21.954 0.00 0.00 SOLV ATOM 31367 H1 TIP3 8458 29.160 16.631 -22.575 0.00 0.00 SOLV ATOM 31368 H2 TIP3 8458 29.212 15.543 -21.581 0.00 0.00 SOLV ATOM 31369 OH2 TIP3 8459 27.612 10.251 -6.076 0.00 0.00 SOLV ATOM 31370 H1 TIP3 8459 26.953 10.954 -6.265 0.00 0.00 SOLV ATOM 31371 H2 TIP3 8459 28.153 10.619 -5.343 0.00 0.00 SOLV ATOM 31372 OH2 TIP3 8460 23.228 20.056 -27.933 0.00 0.00 SOLV ATOM 31373 H1 TIP3 8460 22.705 20.540 -28.574 0.00 0.00 SOLV ATOM 31374 H2 TIP3 8460 23.936 19.631 -28.418 0.00 0.00 SOLV ATOM 31375 OH2 TIP3 8461 24.952 -19.030 -24.972 0.00 0.00 SOLV ATOM 31376 H1 TIP3 8461 25.095 -18.150 -24.575 0.00 0.00 SOLV ATOM 31377 H2 TIP3 8461 24.052 -19.184 -24.684 0.00 0.00 SOLV ATOM 31378 OH2 TIP3 8462 36.134 15.832 -15.821 0.00 0.00 SOLV ATOM 31379 H1 TIP3 8462 36.742 16.460 -15.424 0.00 0.00 SOLV ATOM 31380 H2 TIP3 8462 35.757 15.462 -15.037 0.00 0.00 SOLV ATOM 31381 OH2 TIP3 8463 40.292 -3.392 -29.026 0.00 0.00 SOLV ATOM 31382 H1 TIP3 8463 39.576 -3.954 -29.173 0.00 0.00 SOLV ATOM 31383 H2 TIP3 8463 40.208 -3.176 -28.104 0.00 0.00 SOLV ATOM 31384 OH2 TIP3 8464 25.573 -10.845 -11.873 0.00 0.00 SOLV ATOM 31385 H1 TIP3 8464 24.828 -10.395 -12.222 0.00 0.00 SOLV ATOM 31386 H2 TIP3 8464 25.358 -10.986 -10.936 0.00 0.00 SOLV ATOM 31387 OH2 TIP3 8465 33.874 -11.437 -32.908 0.00 0.00 SOLV ATOM 31388 H1 TIP3 8465 33.768 -12.402 -33.011 0.00 0.00 SOLV ATOM 31389 H2 TIP3 8465 34.403 -11.393 -32.069 0.00 0.00 SOLV ATOM 31390 OH2 TIP3 8466 29.919 -8.377 -40.704 0.00 0.00 SOLV ATOM 31391 H1 TIP3 8466 30.083 -7.383 -41.000 0.00 0.00 SOLV ATOM 31392 H2 TIP3 8466 30.758 -8.542 -40.304 0.00 0.00 SOLV ATOM 31393 OH2 TIP3 8467 24.782 -16.624 -23.636 0.00 0.00 SOLV ATOM 31394 H1 TIP3 8467 23.885 -16.178 -23.766 0.00 0.00 SOLV ATOM 31395 H2 TIP3 8467 25.348 -15.784 -23.668 0.00 0.00 SOLV ATOM 31396 OH2 TIP3 8468 25.339 1.444 -49.078 0.00 0.00 SOLV ATOM 31397 H1 TIP3 8468 24.649 0.775 -49.240 0.00 0.00 SOLV ATOM 31398 H2 TIP3 8468 25.031 2.240 -49.504 0.00 0.00 SOLV ATOM 31399 OH2 TIP3 8469 38.620 6.547 -36.410 0.00 0.00 SOLV ATOM 31400 H1 TIP3 8469 38.370 5.937 -35.698 0.00 0.00 SOLV ATOM 31401 H2 TIP3 8469 38.579 5.969 -37.180 0.00 0.00 SOLV ATOM 31402 OH2 TIP3 8470 2.909 19.604 -14.313 0.00 0.00 SOLV ATOM 31403 H1 TIP3 8470 2.370 18.816 -14.199 0.00 0.00 SOLV ATOM 31404 H2 TIP3 8470 2.249 20.243 -14.673 0.00 0.00 SOLV ATOM 31405 OH2 TIP3 8471 25.911 3.826 5.111 0.00 0.00 SOLV ATOM 31406 H1 TIP3 8471 26.392 3.125 4.692 0.00 0.00 SOLV ATOM 31407 H2 TIP3 8471 25.005 3.806 4.732 0.00 0.00 SOLV ATOM 31408 OH2 TIP3 8472 30.699 -4.017 -0.083 0.00 0.00 SOLV ATOM 31409 H1 TIP3 8472 31.643 -4.330 -0.021 0.00 0.00 SOLV ATOM 31410 H2 TIP3 8472 30.321 -4.747 -0.603 0.00 0.00 SOLV ATOM 31411 OH2 TIP3 8473 27.616 -2.877 -48.142 0.00 0.00 SOLV ATOM 31412 H1 TIP3 8473 26.732 -2.650 -48.527 0.00 0.00 SOLV ATOM 31413 H2 TIP3 8473 27.684 -3.809 -48.227 0.00 0.00 SOLV ATOM 31414 OH2 TIP3 8474 26.775 -7.718 -23.474 0.00 0.00 SOLV ATOM 31415 H1 TIP3 8474 27.500 -8.382 -23.561 0.00 0.00 SOLV ATOM 31416 H2 TIP3 8474 27.272 -6.922 -23.358 0.00 0.00 SOLV ATOM 31417 OH2 TIP3 8475 30.889 -5.015 -25.066 0.00 0.00 SOLV ATOM 31418 H1 TIP3 8475 31.586 -5.707 -25.250 0.00 0.00 SOLV ATOM 31419 H2 TIP3 8475 30.417 -5.347 -24.323 0.00 0.00 SOLV ATOM 31420 OH2 TIP3 8476 33.745 -2.623 -20.082 0.00 0.00 SOLV ATOM 31421 H1 TIP3 8476 33.377 -2.851 -20.910 0.00 0.00 SOLV ATOM 31422 H2 TIP3 8476 34.631 -2.342 -20.343 0.00 0.00 SOLV ATOM 31423 OH2 TIP3 8477 38.987 1.103 -12.325 0.00 0.00 SOLV ATOM 31424 H1 TIP3 8477 38.146 1.063 -12.810 0.00 0.00 SOLV ATOM 31425 H2 TIP3 8477 38.800 1.799 -11.608 0.00 0.00 SOLV ATOM 31426 OH2 TIP3 8478 24.765 -2.033 -46.809 0.00 0.00 SOLV ATOM 31427 H1 TIP3 8478 24.899 -2.845 -46.253 0.00 0.00 SOLV ATOM 31428 H2 TIP3 8478 25.362 -1.373 -46.428 0.00 0.00 SOLV ATOM 31429 OH2 TIP3 8479 28.318 3.428 -38.776 0.00 0.00 SOLV ATOM 31430 H1 TIP3 8479 28.106 2.834 -38.050 0.00 0.00 SOLV ATOM 31431 H2 TIP3 8479 28.220 2.832 -39.522 0.00 0.00 SOLV ATOM 31432 OH2 TIP3 8480 25.524 -7.585 -33.644 0.00 0.00 SOLV ATOM 31433 H1 TIP3 8480 26.069 -6.789 -33.497 0.00 0.00 SOLV ATOM 31434 H2 TIP3 8480 24.977 -7.519 -32.837 0.00 0.00 SOLV ATOM 31435 OH2 TIP3 8481 32.212 -6.495 -15.369 0.00 0.00 SOLV ATOM 31436 H1 TIP3 8481 31.670 -7.133 -14.832 0.00 0.00 SOLV ATOM 31437 H2 TIP3 8481 33.066 -6.986 -15.435 0.00 0.00 SOLV ATOM 31438 OH2 TIP3 8482 24.668 2.263 -2.482 0.00 0.00 SOLV ATOM 31439 H1 TIP3 8482 24.246 1.661 -3.135 0.00 0.00 SOLV ATOM 31440 H2 TIP3 8482 25.195 2.756 -3.057 0.00 0.00 SOLV ATOM 31441 OH2 TIP3 8483 32.622 -1.439 -46.549 0.00 0.00 SOLV ATOM 31442 H1 TIP3 8483 32.507 -1.563 -45.625 0.00 0.00 SOLV ATOM 31443 H2 TIP3 8483 33.421 -0.877 -46.610 0.00 0.00 SOLV ATOM 31444 OH2 TIP3 8484 20.329 18.216 -28.753 0.00 0.00 SOLV ATOM 31445 H1 TIP3 8484 21.226 17.784 -28.847 0.00 0.00 SOLV ATOM 31446 H2 TIP3 8484 20.115 18.314 -29.748 0.00 0.00 SOLV ATOM 31447 OH2 TIP3 8485 21.753 -3.063 -42.867 0.00 0.00 SOLV ATOM 31448 H1 TIP3 8485 22.367 -3.824 -42.609 0.00 0.00 SOLV ATOM 31449 H2 TIP3 8485 21.498 -3.166 -43.810 0.00 0.00 SOLV ATOM 31450 OH2 TIP3 8486 26.876 8.293 -45.761 0.00 0.00 SOLV ATOM 31451 H1 TIP3 8486 26.806 8.954 -46.483 0.00 0.00 SOLV ATOM 31452 H2 TIP3 8486 27.280 7.470 -46.108 0.00 0.00 SOLV ATOM 31453 OH2 TIP3 8487 26.764 -4.536 -42.765 0.00 0.00 SOLV ATOM 31454 H1 TIP3 8487 26.955 -4.402 -41.863 0.00 0.00 SOLV ATOM 31455 H2 TIP3 8487 26.948 -5.510 -42.864 0.00 0.00 SOLV ATOM 31456 OH2 TIP3 8488 21.904 14.788 -27.741 0.00 0.00 SOLV ATOM 31457 H1 TIP3 8488 22.554 14.921 -28.475 0.00 0.00 SOLV ATOM 31458 H2 TIP3 8488 22.162 15.402 -27.074 0.00 0.00 SOLV ATOM 31459 OH2 TIP3 8489 40.521 9.823 -9.939 0.00 0.00 SOLV ATOM 31460 H1 TIP3 8489 39.842 10.214 -10.508 0.00 0.00 SOLV ATOM 31461 H2 TIP3 8489 40.632 10.558 -9.241 0.00 0.00 SOLV ATOM 31462 OH2 TIP3 8490 34.266 6.823 -13.051 0.00 0.00 SOLV ATOM 31463 H1 TIP3 8490 33.833 7.659 -12.883 0.00 0.00 SOLV ATOM 31464 H2 TIP3 8490 35.138 6.914 -12.526 0.00 0.00 SOLV ATOM 31465 OH2 TIP3 8491 26.674 12.827 -29.341 0.00 0.00 SOLV ATOM 31466 H1 TIP3 8491 26.915 12.069 -28.783 0.00 0.00 SOLV ATOM 31467 H2 TIP3 8491 26.487 12.433 -30.210 0.00 0.00 SOLV ATOM 31468 OH2 TIP3 8492 1.361 -2.053 -36.863 0.00 0.00 SOLV ATOM 31469 H1 TIP3 8492 0.505 -1.888 -37.330 0.00 0.00 SOLV ATOM 31470 H2 TIP3 8492 1.973 -1.882 -37.588 0.00 0.00 SOLV ATOM 31471 OH2 TIP3 8493 21.077 -2.709 -40.194 0.00 0.00 SOLV ATOM 31472 H1 TIP3 8493 20.130 -2.703 -39.952 0.00 0.00 SOLV ATOM 31473 H2 TIP3 8493 20.966 -2.738 -41.211 0.00 0.00 SOLV ATOM 31474 OH2 TIP3 8494 35.125 4.954 -37.388 0.00 0.00 SOLV ATOM 31475 H1 TIP3 8494 34.386 5.517 -37.044 0.00 0.00 SOLV ATOM 31476 H2 TIP3 8494 34.896 4.971 -38.331 0.00 0.00 SOLV ATOM 31477 OH2 TIP3 8495 38.336 11.256 -31.037 0.00 0.00 SOLV ATOM 31478 H1 TIP3 8495 39.161 10.997 -30.685 0.00 0.00 SOLV ATOM 31479 H2 TIP3 8495 38.324 12.186 -30.888 0.00 0.00 SOLV ATOM 31480 OH2 TIP3 8496 26.086 -5.886 -20.142 0.00 0.00 SOLV ATOM 31481 H1 TIP3 8496 25.887 -5.796 -19.185 0.00 0.00 SOLV ATOM 31482 H2 TIP3 8496 25.888 -5.000 -20.538 0.00 0.00 SOLV ATOM 31483 OH2 TIP3 8497 32.116 6.093 -15.784 0.00 0.00 SOLV ATOM 31484 H1 TIP3 8497 31.637 6.590 -15.103 0.00 0.00 SOLV ATOM 31485 H2 TIP3 8497 33.016 6.320 -15.537 0.00 0.00 SOLV ATOM 31486 OH2 TIP3 8498 31.835 8.385 -7.269 0.00 0.00 SOLV ATOM 31487 H1 TIP3 8498 31.144 8.345 -6.584 0.00 0.00 SOLV ATOM 31488 H2 TIP3 8498 31.803 7.486 -7.679 0.00 0.00 SOLV ATOM 31489 OH2 TIP3 8499 31.662 -2.187 -18.393 0.00 0.00 SOLV ATOM 31490 H1 TIP3 8499 31.261 -3.108 -18.462 0.00 0.00 SOLV ATOM 31491 H2 TIP3 8499 32.579 -2.283 -18.701 0.00 0.00 SOLV ATOM 31492 OH2 TIP3 8500 0.506 22.520 -17.719 0.00 0.00 SOLV ATOM 31493 H1 TIP3 8500 0.348 22.037 -18.553 0.00 0.00 SOLV ATOM 31494 H2 TIP3 8500 1.498 22.351 -17.627 0.00 0.00 SOLV ATOM 31495 OH2 TIP3 8501 15.130 -9.883 -15.593 0.00 0.00 SOLV ATOM 31496 H1 TIP3 8501 15.819 -10.558 -15.712 0.00 0.00 SOLV ATOM 31497 H2 TIP3 8501 14.768 -9.715 -16.473 0.00 0.00 SOLV ATOM 31498 OH2 TIP3 8502 25.443 9.145 2.251 0.00 0.00 SOLV ATOM 31499 H1 TIP3 8502 24.903 9.385 3.061 0.00 0.00 SOLV ATOM 31500 H2 TIP3 8502 26.015 8.463 2.606 0.00 0.00 SOLV ATOM 31501 OH2 TIP3 8503 29.254 16.100 -47.781 0.00 0.00 SOLV ATOM 31502 H1 TIP3 8503 30.129 16.476 -48.055 0.00 0.00 SOLV ATOM 31503 H2 TIP3 8503 29.449 15.151 -47.914 0.00 0.00 SOLV ATOM 31504 OH2 TIP3 8504 30.719 9.097 -42.283 0.00 0.00 SOLV ATOM 31505 H1 TIP3 8504 30.024 9.413 -42.901 0.00 0.00 SOLV ATOM 31506 H2 TIP3 8504 30.238 8.293 -41.998 0.00 0.00 SOLV ATOM 31507 OH2 TIP3 8505 28.581 12.928 -34.939 0.00 0.00 SOLV ATOM 31508 H1 TIP3 8505 27.937 12.221 -34.858 0.00 0.00 SOLV ATOM 31509 H2 TIP3 8505 28.009 13.665 -35.271 0.00 0.00 SOLV ATOM 31510 OH2 TIP3 8506 34.688 -8.340 -12.667 0.00 0.00 SOLV ATOM 31511 H1 TIP3 8506 34.906 -8.401 -13.597 0.00 0.00 SOLV ATOM 31512 H2 TIP3 8506 34.243 -9.197 -12.524 0.00 0.00 SOLV ATOM 31513 OH2 TIP3 8507 35.173 3.808 -22.482 0.00 0.00 SOLV ATOM 31514 H1 TIP3 8507 34.372 3.394 -22.876 0.00 0.00 SOLV ATOM 31515 H2 TIP3 8507 35.910 3.212 -22.853 0.00 0.00 SOLV ATOM 31516 OH2 TIP3 8508 30.622 14.064 -11.332 0.00 0.00 SOLV ATOM 31517 H1 TIP3 8508 29.667 13.802 -11.389 0.00 0.00 SOLV ATOM 31518 H2 TIP3 8508 30.693 14.828 -11.892 0.00 0.00 SOLV ATOM 31519 OH2 TIP3 8509 28.559 12.861 12.747 0.00 0.00 SOLV ATOM 31520 H1 TIP3 8509 28.741 11.960 12.737 0.00 0.00 SOLV ATOM 31521 H2 TIP3 8509 27.723 12.922 12.331 0.00 0.00 SOLV ATOM 31522 OH2 TIP3 8510 29.372 15.197 13.709 0.00 0.00 SOLV ATOM 31523 H1 TIP3 8510 28.658 15.788 13.557 0.00 0.00 SOLV ATOM 31524 H2 TIP3 8510 28.977 14.418 13.281 0.00 0.00 SOLV ATOM 31525 OH2 TIP3 8511 29.445 13.711 16.330 0.00 0.00 SOLV ATOM 31526 H1 TIP3 8511 29.739 12.800 16.233 0.00 0.00 SOLV ATOM 31527 H2 TIP3 8511 29.864 14.117 15.541 0.00 0.00 SOLV ATOM 31528 OH2 TIP3 8512 26.025 -1.666 12.760 0.00 0.00 SOLV ATOM 31529 H1 TIP3 8512 26.491 -2.520 12.597 0.00 0.00 SOLV ATOM 31530 H2 TIP3 8512 26.737 -1.028 12.733 0.00 0.00 SOLV ATOM 31531 OH2 TIP3 8513 29.385 3.957 18.324 0.00 0.00 SOLV ATOM 31532 H1 TIP3 8513 28.809 3.409 18.869 0.00 0.00 SOLV ATOM 31533 H2 TIP3 8513 28.713 4.525 17.920 0.00 0.00 SOLV ATOM 31534 OH2 TIP3 8514 25.939 4.320 19.298 0.00 0.00 SOLV ATOM 31535 H1 TIP3 8514 25.313 4.595 18.544 0.00 0.00 SOLV ATOM 31536 H2 TIP3 8514 25.393 4.473 20.106 0.00 0.00 SOLV ATOM 31537 OH2 TIP3 8515 24.943 4.226 12.691 0.00 0.00 SOLV ATOM 31538 H1 TIP3 8515 24.799 5.194 12.559 0.00 0.00 SOLV ATOM 31539 H2 TIP3 8515 25.864 4.138 12.788 0.00 0.00 SOLV ATOM 31540 OH2 TIP3 8516 29.321 7.219 18.845 0.00 0.00 SOLV ATOM 31541 H1 TIP3 8516 29.170 8.082 18.411 0.00 0.00 SOLV ATOM 31542 H2 TIP3 8516 30.155 7.339 19.278 0.00 0.00 SOLV ATOM 31543 OH2 TIP3 8517 28.593 8.187 8.295 0.00 0.00 SOLV ATOM 31544 H1 TIP3 8517 28.753 8.801 7.586 0.00 0.00 SOLV ATOM 31545 H2 TIP3 8517 29.448 7.878 8.695 0.00 0.00 SOLV ATOM 31546 OH2 TIP3 8518 27.545 10.101 27.229 0.00 0.00 SOLV ATOM 31547 H1 TIP3 8518 26.753 9.779 27.594 0.00 0.00 SOLV ATOM 31548 H2 TIP3 8518 27.237 10.384 26.322 0.00 0.00 SOLV ATOM 31549 OH2 TIP3 8519 25.335 9.895 17.655 0.00 0.00 SOLV ATOM 31550 H1 TIP3 8519 24.766 10.289 17.006 0.00 0.00 SOLV ATOM 31551 H2 TIP3 8519 25.677 9.095 17.215 0.00 0.00 SOLV ATOM 31552 OH2 TIP3 8520 27.133 1.909 18.259 0.00 0.00 SOLV ATOM 31553 H1 TIP3 8520 26.718 2.649 18.710 0.00 0.00 SOLV ATOM 31554 H2 TIP3 8520 26.448 1.692 17.584 0.00 0.00 SOLV ATOM 31555 OH2 TIP3 8521 28.302 -0.367 13.463 0.00 0.00 SOLV ATOM 31556 H1 TIP3 8521 29.150 -0.884 13.401 0.00 0.00 SOLV ATOM 31557 H2 TIP3 8521 28.498 0.242 14.157 0.00 0.00 SOLV ATOM 31558 OH2 TIP3 8522 27.716 4.518 21.455 0.00 0.00 SOLV ATOM 31559 H1 TIP3 8522 27.165 4.622 20.666 0.00 0.00 SOLV ATOM 31560 H2 TIP3 8522 27.733 5.452 21.772 0.00 0.00 SOLV ATOM 31561 OH2 TIP3 8523 30.392 10.189 12.546 0.00 0.00 SOLV ATOM 31562 H1 TIP3 8523 31.315 10.422 12.650 0.00 0.00 SOLV ATOM 31563 H2 TIP3 8523 30.387 9.893 11.670 0.00 0.00 SOLV ATOM 31564 OH2 TIP3 8524 30.828 7.906 9.838 0.00 0.00 SOLV ATOM 31565 H1 TIP3 8524 31.533 8.436 9.392 0.00 0.00 SOLV ATOM 31566 H2 TIP3 8524 31.284 7.293 10.481 0.00 0.00 SOLV ATOM 31567 OH2 TIP3 8525 28.847 7.130 15.649 0.00 0.00 SOLV ATOM 31568 H1 TIP3 8525 29.532 6.444 15.980 0.00 0.00 SOLV ATOM 31569 H2 TIP3 8525 29.406 7.883 15.603 0.00 0.00 SOLV ATOM 31570 OH2 TIP3 8526 25.684 15.312 18.264 0.00 0.00 SOLV ATOM 31571 H1 TIP3 8526 25.731 14.309 18.286 0.00 0.00 SOLV ATOM 31572 H2 TIP3 8526 26.015 15.613 17.399 0.00 0.00 SOLV ATOM 31573 OH2 TIP3 8527 28.455 9.690 17.840 0.00 0.00 SOLV ATOM 31574 H1 TIP3 8527 28.511 10.449 18.480 0.00 0.00 SOLV ATOM 31575 H2 TIP3 8527 28.615 10.203 16.956 0.00 0.00 SOLV ATOM 31576 OH2 TIP3 8528 25.482 8.450 13.059 0.00 0.00 SOLV ATOM 31577 H1 TIP3 8528 25.001 7.905 12.426 0.00 0.00 SOLV ATOM 31578 H2 TIP3 8528 24.795 9.195 13.223 0.00 0.00 SOLV ATOM 31579 OH2 TIP3 8529 31.445 5.979 13.655 0.00 0.00 SOLV ATOM 31580 H1 TIP3 8529 30.560 6.491 13.601 0.00 0.00 SOLV ATOM 31581 H2 TIP3 8529 31.284 5.443 14.470 0.00 0.00 SOLV ATOM 31582 OH2 TIP3 8530 31.052 13.537 9.619 0.00 0.00 SOLV ATOM 31583 H1 TIP3 8530 30.683 12.651 9.579 0.00 0.00 SOLV ATOM 31584 H2 TIP3 8530 31.770 13.403 10.267 0.00 0.00 SOLV ATOM 31585 OH2 TIP3 8531 28.996 10.897 15.369 0.00 0.00 SOLV ATOM 31586 H1 TIP3 8531 28.378 10.832 14.599 0.00 0.00 SOLV ATOM 31587 H2 TIP3 8531 29.758 10.505 15.030 0.00 0.00 SOLV ATOM 31588 OH2 TIP3 8532 27.872 14.049 19.781 0.00 0.00 SOLV ATOM 31589 H1 TIP3 8532 27.521 13.733 18.962 0.00 0.00 SOLV ATOM 31590 H2 TIP3 8532 27.136 14.546 20.167 0.00 0.00 SOLV ATOM 31591 OH2 TIP3 8533 26.496 11.875 10.567 0.00 0.00 SOLV ATOM 31592 H1 TIP3 8533 25.540 11.997 10.266 0.00 0.00 SOLV ATOM 31593 H2 TIP3 8533 27.031 11.630 9.744 0.00 0.00 SOLV ATOM 31594 OH2 TIP3 8534 31.073 4.563 15.961 0.00 0.00 SOLV ATOM 31595 H1 TIP3 8534 30.661 4.423 16.820 0.00 0.00 SOLV ATOM 31596 H2 TIP3 8534 31.917 5.039 16.177 0.00 0.00 SOLV ATOM 31597 OH2 TIP3 8535 27.621 4.629 15.763 0.00 0.00 SOLV ATOM 31598 H1 TIP3 8535 27.426 5.293 16.385 0.00 0.00 SOLV ATOM 31599 H2 TIP3 8535 27.580 5.082 14.913 0.00 0.00 SOLV ATOM 31600 OH2 TIP3 8536 28.944 7.702 12.439 0.00 0.00 SOLV ATOM 31601 H1 TIP3 8536 28.920 7.666 11.448 0.00 0.00 SOLV ATOM 31602 H2 TIP3 8536 29.008 8.678 12.578 0.00 0.00 SOLV ATOM 31603 OH2 TIP3 8537 26.483 13.836 15.194 0.00 0.00 SOLV ATOM 31604 H1 TIP3 8537 27.217 13.461 15.700 0.00 0.00 SOLV ATOM 31605 H2 TIP3 8537 26.946 14.225 14.449 0.00 0.00 SOLV ATOM 31606 OH2 TIP3 8538 29.337 15.800 9.580 0.00 0.00 SOLV ATOM 31607 H1 TIP3 8538 29.698 14.882 9.714 0.00 0.00 SOLV ATOM 31608 H2 TIP3 8538 28.625 15.604 8.974 0.00 0.00 SOLV ATOM 31609 OH2 TIP3 8539 26.040 13.852 26.901 0.00 0.00 SOLV ATOM 31610 H1 TIP3 8539 26.317 13.273 26.174 0.00 0.00 SOLV ATOM 31611 H2 TIP3 8539 25.108 13.972 26.681 0.00 0.00 SOLV ATOM 31612 OH2 TIP3 8540 26.086 0.795 10.705 0.00 0.00 SOLV ATOM 31613 H1 TIP3 8540 26.955 1.022 11.009 0.00 0.00 SOLV ATOM 31614 H2 TIP3 8540 26.185 0.060 10.065 0.00 0.00 SOLV ATOM 31615 OH2 TIP3 8541 31.117 8.563 16.212 0.00 0.00 SOLV ATOM 31616 H1 TIP3 8541 31.927 8.291 15.779 0.00 0.00 SOLV ATOM 31617 H2 TIP3 8541 31.392 8.961 17.027 0.00 0.00 SOLV ATOM 31618 OH2 TIP3 8542 26.577 2.566 23.694 0.00 0.00 SOLV ATOM 31619 H1 TIP3 8542 26.678 1.608 23.260 0.00 0.00 SOLV ATOM 31620 H2 TIP3 8542 26.991 3.155 23.101 0.00 0.00 SOLV ATOM 31621 OH2 TIP3 8543 29.356 11.572 19.510 0.00 0.00 SOLV ATOM 31622 H1 TIP3 8543 29.384 12.529 19.630 0.00 0.00 SOLV ATOM 31623 H2 TIP3 8543 30.281 11.464 19.111 0.00 0.00 SOLV ATOM 31624 OH2 TIP3 8544 24.988 14.403 21.838 0.00 0.00 SOLV ATOM 31625 H1 TIP3 8544 24.641 13.690 21.281 0.00 0.00 SOLV ATOM 31626 H2 TIP3 8544 25.524 13.941 22.511 0.00 0.00 SOLV ATOM 31627 OH2 TIP3 8545 30.191 5.625 22.891 0.00 0.00 SOLV ATOM 31628 H1 TIP3 8545 29.718 5.425 22.126 0.00 0.00 SOLV ATOM 31629 H2 TIP3 8545 29.497 5.832 23.499 0.00 0.00 SOLV ATOM 31630 OH2 TIP3 8546 24.799 -16.847 25.298 0.00 0.00 SOLV ATOM 31631 H1 TIP3 8546 25.560 -17.221 25.760 0.00 0.00 SOLV ATOM 31632 H2 TIP3 8546 24.119 -16.891 25.899 0.00 0.00 SOLV ATOM 31633 OH2 TIP3 8547 26.273 11.736 25.083 0.00 0.00 SOLV ATOM 31634 H1 TIP3 8547 26.754 12.098 24.271 0.00 0.00 SOLV ATOM 31635 H2 TIP3 8547 25.700 11.091 24.666 0.00 0.00 SOLV ATOM 31636 OH2 TIP3 8548 28.001 7.144 23.905 0.00 0.00 SOLV ATOM 31637 H1 TIP3 8548 27.505 7.290 24.770 0.00 0.00 SOLV ATOM 31638 H2 TIP3 8548 27.293 7.472 23.283 0.00 0.00 SOLV ATOM 31639 OH2 TIP3 8549 26.268 12.465 17.835 0.00 0.00 SOLV ATOM 31640 H1 TIP3 8549 26.206 11.551 17.755 0.00 0.00 SOLV ATOM 31641 H2 TIP3 8549 25.941 12.775 16.937 0.00 0.00 SOLV ATOM 31642 OH2 TIP3 8550 26.210 7.859 15.779 0.00 0.00 SOLV ATOM 31643 H1 TIP3 8550 25.963 7.949 14.827 0.00 0.00 SOLV ATOM 31644 H2 TIP3 8550 27.175 7.617 15.705 0.00 0.00 SOLV ATOM 31645 OH2 TIP3 8551 24.911 -3.695 15.044 0.00 0.00 SOLV ATOM 31646 H1 TIP3 8551 23.966 -3.438 15.036 0.00 0.00 SOLV ATOM 31647 H2 TIP3 8551 24.975 -4.521 14.449 0.00 0.00 SOLV ATOM 31648 OH2 TIP3 8552 27.939 4.135 10.179 0.00 0.00 SOLV ATOM 31649 H1 TIP3 8552 27.410 4.816 9.706 0.00 0.00 SOLV ATOM 31650 H2 TIP3 8552 28.049 3.445 9.494 0.00 0.00 SOLV ATOM 31651 OH2 TIP3 8553 28.617 9.740 21.514 0.00 0.00 SOLV ATOM 31652 H1 TIP3 8553 28.023 9.238 20.934 0.00 0.00 SOLV ATOM 31653 H2 TIP3 8553 29.006 10.446 20.939 0.00 0.00 SOLV ATOM 31654 OH2 TIP3 8554 32.656 12.085 15.885 0.00 0.00 SOLV ATOM 31655 H1 TIP3 8554 32.104 12.502 15.177 0.00 0.00 SOLV ATOM 31656 H2 TIP3 8554 33.521 11.887 15.411 0.00 0.00 SOLV ATOM 31657 OH2 TIP3 8555 29.875 0.518 16.695 0.00 0.00 SOLV ATOM 31658 H1 TIP3 8555 29.551 0.273 17.589 0.00 0.00 SOLV ATOM 31659 H2 TIP3 8555 29.148 0.934 16.293 0.00 0.00 SOLV ATOM 31660 OH2 TIP3 8556 31.885 11.802 18.433 0.00 0.00 SOLV ATOM 31661 H1 TIP3 8556 32.326 12.052 17.615 0.00 0.00 SOLV ATOM 31662 H2 TIP3 8556 32.491 12.295 19.015 0.00 0.00 SOLV ATOM 31663 OH2 TIP3 8557 31.481 13.963 22.829 0.00 0.00 SOLV ATOM 31664 H1 TIP3 8557 31.581 13.863 23.788 0.00 0.00 SOLV ATOM 31665 H2 TIP3 8557 31.789 13.141 22.474 0.00 0.00 SOLV ATOM 31666 OH2 TIP3 8558 26.304 7.096 26.809 0.00 0.00 SOLV ATOM 31667 H1 TIP3 8558 25.922 6.238 26.545 0.00 0.00 SOLV ATOM 31668 H2 TIP3 8558 26.185 7.068 27.767 0.00 0.00 SOLV ATOM 31669 OH2 TIP3 8559 27.295 12.679 22.358 0.00 0.00 SOLV ATOM 31670 H1 TIP3 8559 27.668 11.810 22.187 0.00 0.00 SOLV ATOM 31671 H2 TIP3 8559 27.688 13.187 21.659 0.00 0.00 SOLV ATOM 31672 OH2 TIP3 8560 27.606 11.291 8.198 0.00 0.00 SOLV ATOM 31673 H1 TIP3 8560 28.351 11.151 7.598 0.00 0.00 SOLV ATOM 31674 H2 TIP3 8560 26.961 10.786 7.690 0.00 0.00 SOLV ATOM 31675 OH2 TIP3 8561 27.519 10.161 12.719 0.00 0.00 SOLV ATOM 31676 H1 TIP3 8561 26.899 9.394 12.790 0.00 0.00 SOLV ATOM 31677 H2 TIP3 8561 27.237 10.585 11.934 0.00 0.00 SOLV ATOM 31678 OH2 TIP3 8562 25.697 -3.999 20.213 0.00 0.00 SOLV ATOM 31679 H1 TIP3 8562 26.468 -4.203 19.712 0.00 0.00 SOLV ATOM 31680 H2 TIP3 8562 26.149 -3.625 21.089 0.00 0.00 SOLV ATOM 31681 OH2 TIP3 8563 24.910 -1.109 25.052 0.00 0.00 SOLV ATOM 31682 H1 TIP3 8563 24.808 -0.687 24.209 0.00 0.00 SOLV ATOM 31683 H2 TIP3 8563 25.838 -1.016 25.117 0.00 0.00 SOLV ATOM 31684 OH2 TIP3 8564 26.026 7.752 22.233 0.00 0.00 SOLV ATOM 31685 H1 TIP3 8564 25.431 6.968 22.176 0.00 0.00 SOLV ATOM 31686 H2 TIP3 8564 25.933 8.102 21.316 0.00 0.00 SOLV ATOM 31687 OH2 TIP3 8565 25.161 14.763 10.682 0.00 0.00 SOLV ATOM 31688 H1 TIP3 8565 25.132 14.598 11.698 0.00 0.00 SOLV ATOM 31689 H2 TIP3 8565 24.550 14.164 10.244 0.00 0.00 SOLV ATOM 31690 OH2 TIP3 8566 27.858 15.825 26.040 0.00 0.00 SOLV ATOM 31691 H1 TIP3 8566 27.639 16.683 25.534 0.00 0.00 SOLV ATOM 31692 H2 TIP3 8566 26.956 15.309 26.163 0.00 0.00 SOLV ATOM 31693 OH2 TIP3 8567 27.226 14.136 8.422 0.00 0.00 SOLV ATOM 31694 H1 TIP3 8567 27.163 14.064 9.358 0.00 0.00 SOLV ATOM 31695 H2 TIP3 8567 27.411 13.241 8.158 0.00 0.00 SOLV ATOM 31696 OH2 TIP3 8568 24.851 -15.288 30.684 0.00 0.00 SOLV ATOM 31697 H1 TIP3 8568 23.882 -15.387 30.731 0.00 0.00 SOLV ATOM 31698 H2 TIP3 8568 25.056 -14.526 30.076 0.00 0.00 SOLV ATOM 31699 OH2 TIP3 8569 24.917 -13.119 29.078 0.00 0.00 SOLV ATOM 31700 H1 TIP3 8569 24.656 -13.072 28.198 0.00 0.00 SOLV ATOM 31701 H2 TIP3 8569 25.616 -12.486 29.065 0.00 0.00 SOLV ATOM 31702 OH2 TIP3 8570 28.149 5.147 12.881 0.00 0.00 SOLV ATOM 31703 H1 TIP3 8570 28.369 6.109 12.830 0.00 0.00 SOLV ATOM 31704 H2 TIP3 8570 28.185 4.894 11.899 0.00 0.00 SOLV ATOM 31705 OH2 TIP3 8571 27.776 1.869 15.023 0.00 0.00 SOLV ATOM 31706 H1 TIP3 8571 27.842 2.797 15.330 0.00 0.00 SOLV ATOM 31707 H2 TIP3 8571 26.956 1.556 15.404 0.00 0.00 SOLV ATOM 31708 OH2 TIP3 8572 24.498 5.370 21.772 0.00 0.00 SOLV ATOM 31709 H1 TIP3 8572 23.690 5.711 21.227 0.00 0.00 SOLV ATOM 31710 H2 TIP3 8572 24.059 5.203 22.600 0.00 0.00 SOLV ATOM 31711 OH2 TIP3 8573 26.773 -0.359 20.048 0.00 0.00 SOLV ATOM 31712 H1 TIP3 8573 27.446 -0.908 19.691 0.00 0.00 SOLV ATOM 31713 H2 TIP3 8573 26.732 0.384 19.437 0.00 0.00 SOLV ATOM 31714 OH2 TIP3 8574 25.788 8.573 32.662 0.00 0.00 SOLV ATOM 31715 H1 TIP3 8574 26.392 8.766 33.372 0.00 0.00 SOLV ATOM 31716 H2 TIP3 8574 26.400 8.636 31.894 0.00 0.00 SOLV ATOM 31717 OH2 TIP3 8575 24.533 5.186 17.265 0.00 0.00 SOLV ATOM 31718 H1 TIP3 8575 24.448 6.053 17.643 0.00 0.00 SOLV ATOM 31719 H2 TIP3 8575 24.531 5.396 16.301 0.00 0.00 SOLV ATOM 31720 OH2 TIP3 8576 24.636 9.754 24.236 0.00 0.00 SOLV ATOM 31721 H1 TIP3 8576 24.949 8.857 24.365 0.00 0.00 SOLV ATOM 31722 H2 TIP3 8576 24.586 9.896 23.288 0.00 0.00 SOLV ATOM 31723 OH2 TIP3 8577 25.339 1.444 16.342 0.00 0.00 SOLV ATOM 31724 H1 TIP3 8577 24.649 0.775 16.180 0.00 0.00 SOLV ATOM 31725 H2 TIP3 8577 25.031 2.240 15.916 0.00 0.00 SOLV ATOM 31726 OH2 TIP3 8578 24.825 1.610 30.885 0.00 0.00 SOLV ATOM 31727 H1 TIP3 8578 24.051 1.462 30.382 0.00 0.00 SOLV ATOM 31728 H2 TIP3 8578 25.539 1.675 30.238 0.00 0.00 SOLV ATOM 31729 OH2 TIP3 8579 27.616 -2.877 17.278 0.00 0.00 SOLV ATOM 31730 H1 TIP3 8579 26.732 -2.650 16.892 0.00 0.00 SOLV ATOM 31731 H2 TIP3 8579 27.684 -3.809 17.192 0.00 0.00 SOLV ATOM 31732 OH2 TIP3 8580 24.765 -2.033 18.611 0.00 0.00 SOLV ATOM 31733 H1 TIP3 8580 24.899 -2.845 19.167 0.00 0.00 SOLV ATOM 31734 H2 TIP3 8580 25.362 -1.373 18.991 0.00 0.00 SOLV ATOM 31735 OH2 TIP3 8581 25.780 4.456 26.204 0.00 0.00 SOLV ATOM 31736 H1 TIP3 8581 25.341 3.743 26.676 0.00 0.00 SOLV ATOM 31737 H2 TIP3 8581 25.808 4.086 25.319 0.00 0.00 SOLV ATOM 31738 OH2 TIP3 8582 25.111 9.693 28.824 0.00 0.00 SOLV ATOM 31739 H1 TIP3 8582 24.700 10.382 29.339 0.00 0.00 SOLV ATOM 31740 H2 TIP3 8582 24.350 9.230 28.438 0.00 0.00 SOLV ATOM 31741 OH2 TIP3 8583 29.674 3.057 13.452 0.00 0.00 SOLV ATOM 31742 H1 TIP3 8583 28.933 2.681 13.945 0.00 0.00 SOLV ATOM 31743 H2 TIP3 8583 29.489 4.013 13.353 0.00 0.00 SOLV ATOM 31744 OH2 TIP3 8584 26.876 8.293 19.658 0.00 0.00 SOLV ATOM 31745 H1 TIP3 8584 26.806 8.954 18.936 0.00 0.00 SOLV ATOM 31746 H2 TIP3 8584 27.280 7.470 19.311 0.00 0.00 SOLV ATOM 31747 OH2 TIP3 8585 31.741 13.732 13.839 0.00 0.00 SOLV ATOM 31748 H1 TIP3 8585 32.285 14.051 13.134 0.00 0.00 SOLV ATOM 31749 H2 TIP3 8585 30.887 14.080 13.597 0.00 0.00 SOLV ATOM 31750 OH2 TIP3 8586 26.932 7.567 29.513 0.00 0.00 SOLV ATOM 31751 H1 TIP3 8586 26.392 8.328 29.239 0.00 0.00 SOLV ATOM 31752 H2 TIP3 8586 27.560 7.939 30.154 0.00 0.00 SOLV ATOM 31753 OH2 TIP3 8587 25.427 0.042 22.528 0.00 0.00 SOLV ATOM 31754 H1 TIP3 8587 24.835 0.733 22.140 0.00 0.00 SOLV ATOM 31755 H2 TIP3 8587 25.878 -0.249 21.726 0.00 0.00 SOLV ATOM 31756 OH2 TIP3 8588 27.080 1.241 26.103 0.00 0.00 SOLV ATOM 31757 H1 TIP3 8588 26.767 1.721 25.311 0.00 0.00 SOLV ATOM 31758 H2 TIP3 8588 28.059 1.128 25.828 0.00 0.00 SOLV ATOM 31759 OH2 TIP3 8589 28.681 1.245 11.148 0.00 0.00 SOLV ATOM 31760 H1 TIP3 8589 28.872 2.116 11.497 0.00 0.00 SOLV ATOM 31761 H2 TIP3 8589 28.945 0.612 11.767 0.00 0.00 SOLV ATOM 31762 OH2 TIP3 8590 26.747 6.285 9.080 0.00 0.00 SOLV ATOM 31763 H1 TIP3 8590 27.403 6.940 8.929 0.00 0.00 SOLV ATOM 31764 H2 TIP3 8590 25.903 6.723 8.676 0.00 0.00 SOLV ATOM 31765 OH2 TIP3 8591 29.254 16.100 17.639 0.00 0.00 SOLV ATOM 31766 H1 TIP3 8591 30.129 16.476 17.365 0.00 0.00 SOLV ATOM 31767 H2 TIP3 8591 29.449 15.151 17.505 0.00 0.00 SOLV ATOM 31768 OH2 TIP3 8592 26.785 16.006 13.116 0.00 0.00 SOLV ATOM 31769 H1 TIP3 8592 27.031 16.667 12.467 0.00 0.00 SOLV ATOM 31770 H2 TIP3 8592 25.892 16.305 13.442 0.00 0.00 SOLV ATOM 31771 OH2 TIP3 8593 29.934 11.025 9.629 0.00 0.00 SOLV ATOM 31772 H1 TIP3 8593 29.107 11.145 9.107 0.00 0.00 SOLV ATOM 31773 H2 TIP3 8593 30.424 10.286 9.156 0.00 0.00 SOLV ATOM 31774 OH2 TIP3 8594 28.087 26.502 -42.096 0.00 0.00 SOLV ATOM 31775 H1 TIP3 8594 27.643 26.871 -42.899 0.00 0.00 SOLV ATOM 31776 H2 TIP3 8594 27.511 26.798 -41.373 0.00 0.00 SOLV ATOM 31777 OH2 TIP3 8595 30.453 21.295 -37.109 0.00 0.00 SOLV ATOM 31778 H1 TIP3 8595 30.497 21.643 -36.202 0.00 0.00 SOLV ATOM 31779 H2 TIP3 8595 31.011 20.508 -37.039 0.00 0.00 SOLV ATOM 31780 OH2 TIP3 8596 28.989 20.379 -28.113 0.00 0.00 SOLV ATOM 31781 H1 TIP3 8596 28.378 19.580 -28.020 0.00 0.00 SOLV ATOM 31782 H2 TIP3 8596 28.414 21.074 -28.578 0.00 0.00 SOLV ATOM 31783 OH2 TIP3 8597 25.394 30.427 -19.433 0.00 0.00 SOLV ATOM 31784 H1 TIP3 8597 25.557 29.683 -20.034 0.00 0.00 SOLV ATOM 31785 H2 TIP3 8597 25.038 29.959 -18.640 0.00 0.00 SOLV ATOM 31786 OH2 TIP3 8598 30.807 16.794 -7.144 0.00 0.00 SOLV ATOM 31787 H1 TIP3 8598 30.726 16.519 -8.076 0.00 0.00 SOLV ATOM 31788 H2 TIP3 8598 31.575 17.446 -7.226 0.00 0.00 SOLV ATOM 31789 OH2 TIP3 8599 25.344 20.669 -7.769 0.00 0.00 SOLV ATOM 31790 H1 TIP3 8599 25.773 20.134 -7.009 0.00 0.00 SOLV ATOM 31791 H2 TIP3 8599 25.080 21.505 -7.283 0.00 0.00 SOLV ATOM 31792 OH2 TIP3 8600 38.856 22.213 -27.444 0.00 0.00 SOLV ATOM 31793 H1 TIP3 8600 37.944 21.739 -27.468 0.00 0.00 SOLV ATOM 31794 H2 TIP3 8600 39.404 21.532 -27.027 0.00 0.00 SOLV ATOM 31795 OH2 TIP3 8601 32.856 18.588 -6.349 0.00 0.00 SOLV ATOM 31796 H1 TIP3 8601 33.458 18.820 -7.107 0.00 0.00 SOLV ATOM 31797 H2 TIP3 8601 32.690 19.331 -5.856 0.00 0.00 SOLV ATOM 31798 OH2 TIP3 8602 22.676 -8.645 -29.345 0.00 0.00 SOLV ATOM 31799 H1 TIP3 8602 22.189 -8.368 -28.550 0.00 0.00 SOLV ATOM 31800 H2 TIP3 8602 22.089 -9.144 -29.917 0.00 0.00 SOLV ATOM 31801 OH2 TIP3 8603 30.625 23.411 -39.558 0.00 0.00 SOLV ATOM 31802 H1 TIP3 8603 31.202 23.767 -38.848 0.00 0.00 SOLV ATOM 31803 H2 TIP3 8603 29.728 23.482 -39.200 0.00 0.00 SOLV ATOM 31804 OH2 TIP3 8604 27.411 27.581 -30.140 0.00 0.00 SOLV ATOM 31805 H1 TIP3 8604 28.014 27.388 -30.871 0.00 0.00 SOLV ATOM 31806 H2 TIP3 8604 26.834 28.195 -30.570 0.00 0.00 SOLV ATOM 31807 OH2 TIP3 8605 28.659 23.456 -30.919 0.00 0.00 SOLV ATOM 31808 H1 TIP3 8605 29.075 24.251 -31.342 0.00 0.00 SOLV ATOM 31809 H2 TIP3 8605 28.205 23.848 -30.188 0.00 0.00 SOLV ATOM 31810 OH2 TIP3 8606 31.140 24.160 -19.791 0.00 0.00 SOLV ATOM 31811 H1 TIP3 8606 30.779 24.386 -18.958 0.00 0.00 SOLV ATOM 31812 H2 TIP3 8606 30.589 24.671 -20.467 0.00 0.00 SOLV ATOM 31813 OH2 TIP3 8607 24.421 22.087 -43.409 0.00 0.00 SOLV ATOM 31814 H1 TIP3 8607 24.903 22.409 -44.170 0.00 0.00 SOLV ATOM 31815 H2 TIP3 8607 25.028 22.200 -42.653 0.00 0.00 SOLV ATOM 31816 OH2 TIP3 8608 32.383 22.526 -28.547 0.00 0.00 SOLV ATOM 31817 H1 TIP3 8608 32.661 21.626 -28.401 0.00 0.00 SOLV ATOM 31818 H2 TIP3 8608 32.841 22.964 -27.763 0.00 0.00 SOLV ATOM 31819 OH2 TIP3 8609 30.736 21.708 -30.505 0.00 0.00 SOLV ATOM 31820 H1 TIP3 8609 31.059 22.051 -29.637 0.00 0.00 SOLV ATOM 31821 H2 TIP3 8609 29.983 22.272 -30.720 0.00 0.00 SOLV ATOM 31822 OH2 TIP3 8610 30.399 4.361 -13.526 0.00 0.00 SOLV ATOM 31823 H1 TIP3 8610 30.161 4.326 -14.447 0.00 0.00 SOLV ATOM 31824 H2 TIP3 8610 29.669 4.071 -13.106 0.00 0.00 SOLV ATOM 31825 OH2 TIP3 8611 28.018 30.108 -34.417 0.00 0.00 SOLV ATOM 31826 H1 TIP3 8611 27.850 29.295 -33.938 0.00 0.00 SOLV ATOM 31827 H2 TIP3 8611 28.981 30.189 -34.339 0.00 0.00 SOLV ATOM 31828 OH2 TIP3 8612 33.066 20.733 -38.722 0.00 0.00 SOLV ATOM 31829 H1 TIP3 8612 32.383 20.031 -38.674 0.00 0.00 SOLV ATOM 31830 H2 TIP3 8612 32.463 21.483 -38.847 0.00 0.00 SOLV ATOM 31831 OH2 TIP3 8613 28.761 27.808 -32.729 0.00 0.00 SOLV ATOM 31832 H1 TIP3 8613 29.261 27.116 -32.322 0.00 0.00 SOLV ATOM 31833 H2 TIP3 8613 29.323 28.567 -32.422 0.00 0.00 SOLV ATOM 31834 OH2 TIP3 8614 26.848 29.150 -27.513 0.00 0.00 SOLV ATOM 31835 H1 TIP3 8614 27.139 28.492 -28.170 0.00 0.00 SOLV ATOM 31836 H2 TIP3 8614 27.002 29.962 -27.992 0.00 0.00 SOLV ATOM 31837 OH2 TIP3 8615 19.807 18.509 -40.379 0.00 0.00 SOLV ATOM 31838 H1 TIP3 8615 18.998 19.051 -40.539 0.00 0.00 SOLV ATOM 31839 H2 TIP3 8615 20.484 19.184 -40.510 0.00 0.00 SOLV ATOM 31840 OH2 TIP3 8616 29.468 25.465 -21.422 0.00 0.00 SOLV ATOM 31841 H1 TIP3 8616 29.483 26.309 -20.941 0.00 0.00 SOLV ATOM 31842 H2 TIP3 8616 29.042 25.643 -22.257 0.00 0.00 SOLV ATOM 31843 OH2 TIP3 8617 30.784 19.094 -29.941 0.00 0.00 SOLV ATOM 31844 H1 TIP3 8617 30.219 19.857 -30.151 0.00 0.00 SOLV ATOM 31845 H2 TIP3 8617 31.594 19.475 -29.597 0.00 0.00 SOLV ATOM 31846 OH2 TIP3 8618 33.758 23.157 -26.099 0.00 0.00 SOLV ATOM 31847 H1 TIP3 8618 33.324 23.656 -25.366 0.00 0.00 SOLV ATOM 31848 H2 TIP3 8618 33.824 22.258 -25.778 0.00 0.00 SOLV ATOM 31849 OH2 TIP3 8619 29.954 6.597 -24.972 0.00 0.00 SOLV ATOM 31850 H1 TIP3 8619 29.445 7.010 -25.785 0.00 0.00 SOLV ATOM 31851 H2 TIP3 8619 30.699 7.207 -24.752 0.00 0.00 SOLV ATOM 31852 OH2 TIP3 8620 13.734 7.422 -43.716 0.00 0.00 SOLV ATOM 31853 H1 TIP3 8620 12.989 7.652 -43.125 0.00 0.00 SOLV ATOM 31854 H2 TIP3 8620 14.512 7.308 -43.181 0.00 0.00 SOLV ATOM 31855 OH2 TIP3 8621 31.480 18.494 -38.170 0.00 0.00 SOLV ATOM 31856 H1 TIP3 8621 32.070 18.038 -37.472 0.00 0.00 SOLV ATOM 31857 H2 TIP3 8621 30.567 18.216 -37.965 0.00 0.00 SOLV ATOM 31858 OH2 TIP3 8622 26.344 19.397 -5.437 0.00 0.00 SOLV ATOM 31859 H1 TIP3 8622 26.383 19.918 -4.621 0.00 0.00 SOLV ATOM 31860 H2 TIP3 8622 25.953 18.545 -5.139 0.00 0.00 SOLV ATOM 31861 OH2 TIP3 8623 27.823 21.107 -48.185 0.00 0.00 SOLV ATOM 31862 H1 TIP3 8623 27.529 21.691 -48.903 0.00 0.00 SOLV ATOM 31863 H2 TIP3 8623 28.237 20.392 -48.673 0.00 0.00 SOLV ATOM 31864 OH2 TIP3 8624 27.696 23.885 -38.675 0.00 0.00 SOLV ATOM 31865 H1 TIP3 8624 27.191 23.411 -38.036 0.00 0.00 SOLV ATOM 31866 H2 TIP3 8624 28.024 24.708 -38.247 0.00 0.00 SOLV ATOM 31867 OH2 TIP3 8625 26.939 21.831 -25.767 0.00 0.00 SOLV ATOM 31868 H1 TIP3 8625 26.413 22.652 -25.857 0.00 0.00 SOLV ATOM 31869 H2 TIP3 8625 26.920 21.486 -26.659 0.00 0.00 SOLV ATOM 31870 OH2 TIP3 8626 26.260 24.684 -29.338 0.00 0.00 SOLV ATOM 31871 H1 TIP3 8626 26.100 24.463 -30.253 0.00 0.00 SOLV ATOM 31872 H2 TIP3 8626 26.253 25.630 -29.267 0.00 0.00 SOLV ATOM 31873 OH2 TIP3 8627 34.397 24.295 -33.052 0.00 0.00 SOLV ATOM 31874 H1 TIP3 8627 34.008 24.045 -32.155 0.00 0.00 SOLV ATOM 31875 H2 TIP3 8627 34.855 25.075 -32.813 0.00 0.00 SOLV ATOM 31876 OH2 TIP3 8628 34.347 20.605 -25.195 0.00 0.00 SOLV ATOM 31877 H1 TIP3 8628 33.476 20.355 -24.798 0.00 0.00 SOLV ATOM 31878 H2 TIP3 8628 34.780 19.745 -25.335 0.00 0.00 SOLV ATOM 31879 OH2 TIP3 8629 26.797 22.226 -41.747 0.00 0.00 SOLV ATOM 31880 H1 TIP3 8629 26.577 22.580 -40.901 0.00 0.00 SOLV ATOM 31881 H2 TIP3 8629 27.720 22.452 -41.874 0.00 0.00 SOLV ATOM 31882 OH2 TIP3 8630 28.436 20.324 -38.582 0.00 0.00 SOLV ATOM 31883 H1 TIP3 8630 27.561 20.462 -38.868 0.00 0.00 SOLV ATOM 31884 H2 TIP3 8630 29.002 21.147 -38.705 0.00 0.00 SOLV ATOM 31885 OH2 TIP3 8631 35.911 21.968 -23.154 0.00 0.00 SOLV ATOM 31886 H1 TIP3 8631 35.583 21.623 -23.960 0.00 0.00 SOLV ATOM 31887 H2 TIP3 8631 35.806 22.899 -23.141 0.00 0.00 SOLV ATOM 31888 OH2 TIP3 8632 26.206 25.937 -33.485 0.00 0.00 SOLV ATOM 31889 H1 TIP3 8632 26.552 25.995 -34.354 0.00 0.00 SOLV ATOM 31890 H2 TIP3 8632 26.280 26.825 -33.213 0.00 0.00 SOLV ATOM 31891 OH2 TIP3 8633 5.759 13.800 -36.065 0.00 0.00 SOLV ATOM 31892 H1 TIP3 8633 6.628 13.690 -36.344 0.00 0.00 SOLV ATOM 31893 H2 TIP3 8633 5.329 13.062 -36.539 0.00 0.00 SOLV ATOM 31894 OH2 TIP3 8634 24.474 22.578 -10.418 0.00 0.00 SOLV ATOM 31895 H1 TIP3 8634 23.892 22.030 -9.816 0.00 0.00 SOLV ATOM 31896 H2 TIP3 8634 25.308 22.105 -10.547 0.00 0.00 SOLV ATOM 31897 OH2 TIP3 8635 30.410 18.123 -25.969 0.00 0.00 SOLV ATOM 31898 H1 TIP3 8635 29.912 18.012 -26.817 0.00 0.00 SOLV ATOM 31899 H2 TIP3 8635 30.340 19.079 -25.751 0.00 0.00 SOLV ATOM 31900 OH2 TIP3 8636 26.427 29.673 -9.347 0.00 0.00 SOLV ATOM 31901 H1 TIP3 8636 26.052 29.552 -10.247 0.00 0.00 SOLV ATOM 31902 H2 TIP3 8636 26.502 30.621 -9.345 0.00 0.00 SOLV ATOM 31903 OH2 TIP3 8637 28.791 17.691 -38.603 0.00 0.00 SOLV ATOM 31904 H1 TIP3 8637 28.507 18.565 -38.367 0.00 0.00 SOLV ATOM 31905 H2 TIP3 8637 28.419 17.712 -39.531 0.00 0.00 SOLV ATOM 31906 OH2 TIP3 8638 35.385 16.906 -30.336 0.00 0.00 SOLV ATOM 31907 H1 TIP3 8638 35.255 17.843 -30.525 0.00 0.00 SOLV ATOM 31908 H2 TIP3 8638 34.978 16.511 -31.117 0.00 0.00 SOLV ATOM 31909 OH2 TIP3 8639 25.907 24.174 -26.162 0.00 0.00 SOLV ATOM 31910 H1 TIP3 8639 25.198 24.742 -25.805 0.00 0.00 SOLV ATOM 31911 H2 TIP3 8639 25.962 24.462 -27.079 0.00 0.00 SOLV ATOM 31912 OH2 TIP3 8640 34.810 22.806 -39.172 0.00 0.00 SOLV ATOM 31913 H1 TIP3 8640 35.107 22.904 -38.269 0.00 0.00 SOLV ATOM 31914 H2 TIP3 8640 34.264 22.009 -39.079 0.00 0.00 SOLV ATOM 31915 OH2 TIP3 8641 32.543 24.309 -23.895 0.00 0.00 SOLV ATOM 31916 H1 TIP3 8641 32.702 23.959 -22.961 0.00 0.00 SOLV ATOM 31917 H2 TIP3 8641 33.148 25.053 -24.000 0.00 0.00 SOLV ATOM 31918 OH2 TIP3 8642 29.573 26.301 -7.904 0.00 0.00 SOLV ATOM 31919 H1 TIP3 8642 30.440 26.473 -8.411 0.00 0.00 SOLV ATOM 31920 H2 TIP3 8642 28.983 26.663 -8.590 0.00 0.00 SOLV ATOM 31921 OH2 TIP3 8643 27.253 31.462 -23.626 0.00 0.00 SOLV ATOM 31922 H1 TIP3 8643 26.698 31.226 -22.877 0.00 0.00 SOLV ATOM 31923 H2 TIP3 8643 28.026 30.969 -23.497 0.00 0.00 SOLV ATOM 31924 OH2 TIP3 8644 25.167 20.889 -47.421 0.00 0.00 SOLV ATOM 31925 H1 TIP3 8644 24.845 19.988 -47.661 0.00 0.00 SOLV ATOM 31926 H2 TIP3 8644 25.925 21.004 -48.010 0.00 0.00 SOLV ATOM 31927 OH2 TIP3 8645 40.141 19.404 -12.966 0.00 0.00 SOLV ATOM 31928 H1 TIP3 8645 40.337 19.705 -12.014 0.00 0.00 SOLV ATOM 31929 H2 TIP3 8645 39.368 19.890 -13.224 0.00 0.00 SOLV ATOM 31930 OH2 TIP3 8646 29.775 21.808 -41.954 0.00 0.00 SOLV ATOM 31931 H1 TIP3 8646 30.303 22.483 -41.539 0.00 0.00 SOLV ATOM 31932 H2 TIP3 8646 30.011 21.042 -41.463 0.00 0.00 SOLV ATOM 31933 OH2 TIP3 8647 26.309 22.004 -28.459 0.00 0.00 SOLV ATOM 31934 H1 TIP3 8647 26.358 22.921 -28.737 0.00 0.00 SOLV ATOM 31935 H2 TIP3 8647 25.434 21.732 -28.855 0.00 0.00 SOLV ATOM 31936 OH2 TIP3 8648 7.239 21.382 -25.097 0.00 0.00 SOLV ATOM 31937 H1 TIP3 8648 6.448 21.949 -25.030 0.00 0.00 SOLV ATOM 31938 H2 TIP3 8648 7.196 20.744 -24.328 0.00 0.00 SOLV ATOM 31939 OH2 TIP3 8649 30.647 18.113 -15.847 0.00 0.00 SOLV ATOM 31940 H1 TIP3 8649 30.210 18.890 -15.476 0.00 0.00 SOLV ATOM 31941 H2 TIP3 8649 31.161 18.535 -16.630 0.00 0.00 SOLV ATOM 31942 OH2 TIP3 8650 24.757 18.122 -40.543 0.00 0.00 SOLV ATOM 31943 H1 TIP3 8650 24.909 17.911 -41.441 0.00 0.00 SOLV ATOM 31944 H2 TIP3 8650 24.089 17.460 -40.297 0.00 0.00 SOLV ATOM 31945 OH2 TIP3 8651 32.284 27.023 -29.050 0.00 0.00 SOLV ATOM 31946 H1 TIP3 8651 31.889 27.695 -28.493 0.00 0.00 SOLV ATOM 31947 H2 TIP3 8651 31.573 26.412 -29.217 0.00 0.00 SOLV ATOM 31948 OH2 TIP3 8652 34.100 11.192 -19.661 0.00 0.00 SOLV ATOM 31949 H1 TIP3 8652 33.667 10.352 -19.932 0.00 0.00 SOLV ATOM 31950 H2 TIP3 8652 34.693 10.929 -18.951 0.00 0.00 SOLV ATOM 31951 OH2 TIP3 8653 35.313 24.836 -27.685 0.00 0.00 SOLV ATOM 31952 H1 TIP3 8653 35.159 24.206 -28.462 0.00 0.00 SOLV ATOM 31953 H2 TIP3 8653 34.781 24.391 -27.026 0.00 0.00 SOLV ATOM 31954 OH2 TIP3 8654 31.504 28.742 -13.099 0.00 0.00 SOLV ATOM 31955 H1 TIP3 8654 31.448 27.934 -12.520 0.00 0.00 SOLV ATOM 31956 H2 TIP3 8654 32.417 28.781 -13.357 0.00 0.00 SOLV ATOM 31957 OH2 TIP3 8655 31.447 18.643 -44.589 0.00 0.00 SOLV ATOM 31958 H1 TIP3 8655 30.605 19.220 -44.465 0.00 0.00 SOLV ATOM 31959 H2 TIP3 8655 31.112 17.823 -44.258 0.00 0.00 SOLV ATOM 31960 OH2 TIP3 8656 28.448 24.119 -45.224 0.00 0.00 SOLV ATOM 31961 H1 TIP3 8656 28.997 23.613 -45.862 0.00 0.00 SOLV ATOM 31962 H2 TIP3 8656 27.591 23.740 -45.456 0.00 0.00 SOLV ATOM 31963 OH2 TIP3 8657 27.498 22.139 -5.565 0.00 0.00 SOLV ATOM 31964 H1 TIP3 8657 26.519 22.198 -5.614 0.00 0.00 SOLV ATOM 31965 H2 TIP3 8657 27.698 22.954 -5.038 0.00 0.00 SOLV ATOM 31966 OH2 TIP3 8658 26.258 19.626 -42.602 0.00 0.00 SOLV ATOM 31967 H1 TIP3 8658 26.621 20.501 -42.455 0.00 0.00 SOLV ATOM 31968 H2 TIP3 8658 26.537 19.419 -43.578 0.00 0.00 SOLV ATOM 31969 OH2 TIP3 8659 26.318 28.044 -40.107 0.00 0.00 SOLV ATOM 31970 H1 TIP3 8659 25.559 28.098 -40.695 0.00 0.00 SOLV ATOM 31971 H2 TIP3 8659 26.677 28.955 -40.145 0.00 0.00 SOLV ATOM 31972 OH2 TIP3 8660 27.878 26.288 -35.581 0.00 0.00 SOLV ATOM 31973 H1 TIP3 8660 28.817 26.435 -35.346 0.00 0.00 SOLV ATOM 31974 H2 TIP3 8660 27.867 26.608 -36.505 0.00 0.00 SOLV ATOM 31975 OH2 TIP3 8661 32.287 8.212 -23.840 0.00 0.00 SOLV ATOM 31976 H1 TIP3 8661 32.932 7.986 -23.179 0.00 0.00 SOLV ATOM 31977 H2 TIP3 8661 32.759 8.718 -24.516 0.00 0.00 SOLV ATOM 31978 OH2 TIP3 8662 8.841 21.004 -17.757 0.00 0.00 SOLV ATOM 31979 H1 TIP3 8662 9.328 21.237 -16.969 0.00 0.00 SOLV ATOM 31980 H2 TIP3 8662 9.564 21.130 -18.409 0.00 0.00 SOLV ATOM 31981 OH2 TIP3 8663 35.087 28.853 -22.497 0.00 0.00 SOLV ATOM 31982 H1 TIP3 8663 34.294 29.367 -22.773 0.00 0.00 SOLV ATOM 31983 H2 TIP3 8663 35.358 29.365 -21.786 0.00 0.00 SOLV ATOM 31984 OH2 TIP3 8664 30.128 20.845 -33.582 0.00 0.00 SOLV ATOM 31985 H1 TIP3 8664 30.421 21.122 -32.700 0.00 0.00 SOLV ATOM 31986 H2 TIP3 8664 29.577 21.587 -33.856 0.00 0.00 SOLV ATOM 31987 OH2 TIP3 8665 27.475 28.522 -15.304 0.00 0.00 SOLV ATOM 31988 H1 TIP3 8665 27.053 28.614 -14.449 0.00 0.00 SOLV ATOM 31989 H2 TIP3 8665 27.064 29.197 -15.810 0.00 0.00 SOLV ATOM 31990 OH2 TIP3 8666 29.970 8.904 -28.689 0.00 0.00 SOLV ATOM 31991 H1 TIP3 8666 29.440 9.456 -29.313 0.00 0.00 SOLV ATOM 31992 H2 TIP3 8666 29.339 8.614 -27.982 0.00 0.00 SOLV ATOM 31993 OH2 TIP3 8667 35.893 22.495 -36.298 0.00 0.00 SOLV ATOM 31994 H1 TIP3 8667 36.465 22.087 -35.569 0.00 0.00 SOLV ATOM 31995 H2 TIP3 8667 34.974 22.358 -35.900 0.00 0.00 SOLV ATOM 31996 OH2 TIP3 8668 24.428 17.802 -7.628 0.00 0.00 SOLV ATOM 31997 H1 TIP3 8668 24.962 18.617 -7.600 0.00 0.00 SOLV ATOM 31998 H2 TIP3 8668 24.280 17.531 -6.708 0.00 0.00 SOLV ATOM 31999 OH2 TIP3 8669 25.995 26.798 -11.596 0.00 0.00 SOLV ATOM 32000 H1 TIP3 8669 25.691 26.199 -10.919 0.00 0.00 SOLV ATOM 32001 H2 TIP3 8669 25.161 27.161 -12.003 0.00 0.00 SOLV ATOM 32002 OH2 TIP3 8670 34.409 23.635 -9.810 0.00 0.00 SOLV ATOM 32003 H1 TIP3 8670 34.976 24.392 -9.911 0.00 0.00 SOLV ATOM 32004 H2 TIP3 8670 34.715 22.969 -10.475 0.00 0.00 SOLV ATOM 32005 OH2 TIP3 8671 33.208 19.713 -33.373 0.00 0.00 SOLV ATOM 32006 H1 TIP3 8671 32.294 19.990 -33.250 0.00 0.00 SOLV ATOM 32007 H2 TIP3 8671 33.590 20.329 -33.981 0.00 0.00 SOLV ATOM 32008 OH2 TIP3 8672 24.047 0.510 -7.455 0.00 0.00 SOLV ATOM 32009 H1 TIP3 8672 24.947 0.503 -7.057 0.00 0.00 SOLV ATOM 32010 H2 TIP3 8672 24.106 -0.048 -8.206 0.00 0.00 SOLV ATOM 32011 OH2 TIP3 8673 33.366 26.691 -14.307 0.00 0.00 SOLV ATOM 32012 H1 TIP3 8673 32.527 26.305 -13.962 0.00 0.00 SOLV ATOM 32013 H2 TIP3 8673 33.848 25.920 -14.571 0.00 0.00 SOLV ATOM 32014 OH2 TIP3 8674 26.755 -3.280 -21.103 0.00 0.00 SOLV ATOM 32015 H1 TIP3 8674 25.817 -2.974 -21.123 0.00 0.00 SOLV ATOM 32016 H2 TIP3 8674 27.053 -3.022 -20.218 0.00 0.00 SOLV ATOM 32017 OH2 TIP3 8675 36.274 20.941 -28.161 0.00 0.00 SOLV ATOM 32018 H1 TIP3 8675 36.756 20.143 -28.477 0.00 0.00 SOLV ATOM 32019 H2 TIP3 8675 35.752 20.656 -27.433 0.00 0.00 SOLV ATOM 32020 OH2 TIP3 8676 33.499 21.202 -14.829 0.00 0.00 SOLV ATOM 32021 H1 TIP3 8676 34.328 21.627 -15.072 0.00 0.00 SOLV ATOM 32022 H2 TIP3 8676 33.703 20.464 -14.326 0.00 0.00 SOLV ATOM 32023 OH2 TIP3 8677 28.959 19.024 -49.705 0.00 0.00 SOLV ATOM 32024 H1 TIP3 8677 29.879 19.122 -49.877 0.00 0.00 SOLV ATOM 32025 H2 TIP3 8677 28.853 18.036 -49.637 0.00 0.00 SOLV ATOM 32026 OH2 TIP3 8678 39.097 19.208 -28.699 0.00 0.00 SOLV ATOM 32027 H1 TIP3 8678 39.079 20.050 -29.189 0.00 0.00 SOLV ATOM 32028 H2 TIP3 8678 38.961 18.622 -29.447 0.00 0.00 SOLV ATOM 32029 OH2 TIP3 8679 36.010 24.922 -14.799 0.00 0.00 SOLV ATOM 32030 H1 TIP3 8679 35.753 23.970 -14.736 0.00 0.00 SOLV ATOM 32031 H2 TIP3 8679 36.885 24.869 -14.466 0.00 0.00 SOLV ATOM 32032 OH2 TIP3 8680 34.393 21.833 -7.385 0.00 0.00 SOLV ATOM 32033 H1 TIP3 8680 34.035 22.595 -7.881 0.00 0.00 SOLV ATOM 32034 H2 TIP3 8680 34.464 21.159 -8.095 0.00 0.00 SOLV ATOM 32035 OH2 TIP3 8681 30.200 25.390 -32.064 0.00 0.00 SOLV ATOM 32036 H1 TIP3 8681 30.599 25.597 -32.947 0.00 0.00 SOLV ATOM 32037 H2 TIP3 8681 30.891 24.852 -31.637 0.00 0.00 SOLV ATOM 32038 OH2 TIP3 8682 37.848 25.059 -17.313 0.00 0.00 SOLV ATOM 32039 H1 TIP3 8682 37.319 25.022 -18.121 0.00 0.00 SOLV ATOM 32040 H2 TIP3 8682 37.220 25.286 -16.576 0.00 0.00 SOLV ATOM 32041 OH2 TIP3 8683 28.942 17.422 -28.333 0.00 0.00 SOLV ATOM 32042 H1 TIP3 8683 29.030 16.525 -28.620 0.00 0.00 SOLV ATOM 32043 H2 TIP3 8683 29.315 17.900 -29.174 0.00 0.00 SOLV ATOM 32044 OH2 TIP3 8684 35.883 19.220 -17.428 0.00 0.00 SOLV ATOM 32045 H1 TIP3 8684 35.644 20.142 -17.362 0.00 0.00 SOLV ATOM 32046 H2 TIP3 8684 36.809 19.253 -17.000 0.00 0.00 SOLV ATOM 32047 OH2 TIP3 8685 24.906 23.162 -5.923 0.00 0.00 SOLV ATOM 32048 H1 TIP3 8685 24.522 23.789 -6.550 0.00 0.00 SOLV ATOM 32049 H2 TIP3 8685 24.730 23.545 -5.051 0.00 0.00 SOLV ATOM 32050 OH2 TIP3 8686 28.155 24.919 -17.334 0.00 0.00 SOLV ATOM 32051 H1 TIP3 8686 27.517 24.421 -17.897 0.00 0.00 SOLV ATOM 32052 H2 TIP3 8686 27.740 24.837 -16.460 0.00 0.00 SOLV ATOM 32053 OH2 TIP3 8687 40.048 20.308 -26.051 0.00 0.00 SOLV ATOM 32054 H1 TIP3 8687 40.115 19.823 -26.833 0.00 0.00 SOLV ATOM 32055 H2 TIP3 8687 40.106 19.647 -25.378 0.00 0.00 SOLV ATOM 32056 OH2 TIP3 8688 32.231 17.420 -22.852 0.00 0.00 SOLV ATOM 32057 H1 TIP3 8688 31.440 17.114 -22.390 0.00 0.00 SOLV ATOM 32058 H2 TIP3 8688 31.911 18.267 -23.210 0.00 0.00 SOLV ATOM 32059 OH2 TIP3 8689 35.876 18.769 -38.415 0.00 0.00 SOLV ATOM 32060 H1 TIP3 8689 35.150 19.351 -38.270 0.00 0.00 SOLV ATOM 32061 H2 TIP3 8689 35.965 18.281 -37.599 0.00 0.00 SOLV ATOM 32062 OH2 TIP3 8690 25.863 20.399 -39.373 0.00 0.00 SOLV ATOM 32063 H1 TIP3 8690 25.955 19.469 -39.753 0.00 0.00 SOLV ATOM 32064 H2 TIP3 8690 25.009 20.702 -39.744 0.00 0.00 SOLV ATOM 32065 OH2 TIP3 8691 32.764 24.265 -37.571 0.00 0.00 SOLV ATOM 32066 H1 TIP3 8691 32.898 24.712 -36.764 0.00 0.00 SOLV ATOM 32067 H2 TIP3 8691 33.521 24.478 -38.100 0.00 0.00 SOLV ATOM 32068 OH2 TIP3 8692 36.731 25.212 -19.899 0.00 0.00 SOLV ATOM 32069 H1 TIP3 8692 35.935 25.465 -20.461 0.00 0.00 SOLV ATOM 32070 H2 TIP3 8692 37.333 24.936 -20.613 0.00 0.00 SOLV ATOM 32071 OH2 TIP3 8693 29.827 30.383 -23.134 0.00 0.00 SOLV ATOM 32072 H1 TIP3 8693 30.074 30.983 -22.347 0.00 0.00 SOLV ATOM 32073 H2 TIP3 8693 29.622 29.566 -22.744 0.00 0.00 SOLV ATOM 32074 OH2 TIP3 8694 35.337 23.059 -29.633 0.00 0.00 SOLV ATOM 32075 H1 TIP3 8694 36.061 22.894 -30.292 0.00 0.00 SOLV ATOM 32076 H2 TIP3 8694 35.559 22.435 -28.944 0.00 0.00 SOLV ATOM 32077 OH2 TIP3 8695 37.113 17.750 -22.538 0.00 0.00 SOLV ATOM 32078 H1 TIP3 8695 37.773 18.296 -22.985 0.00 0.00 SOLV ATOM 32079 H2 TIP3 8695 37.555 17.495 -21.683 0.00 0.00 SOLV ATOM 32080 OH2 TIP3 8696 31.022 22.236 -14.003 0.00 0.00 SOLV ATOM 32081 H1 TIP3 8696 31.540 22.847 -13.507 0.00 0.00 SOLV ATOM 32082 H2 TIP3 8696 31.601 21.489 -14.274 0.00 0.00 SOLV ATOM 32083 OH2 TIP3 8697 31.726 24.158 -9.633 0.00 0.00 SOLV ATOM 32084 H1 TIP3 8697 31.602 25.088 -9.585 0.00 0.00 SOLV ATOM 32085 H2 TIP3 8697 32.681 24.139 -9.687 0.00 0.00 SOLV ATOM 32086 OH2 TIP3 8698 37.910 17.218 -6.877 0.00 0.00 SOLV ATOM 32087 H1 TIP3 8698 38.525 16.552 -6.686 0.00 0.00 SOLV ATOM 32088 H2 TIP3 8698 38.124 17.507 -7.832 0.00 0.00 SOLV ATOM 32089 OH2 TIP3 8699 29.934 20.948 -25.530 0.00 0.00 SOLV ATOM 32090 H1 TIP3 8699 29.023 21.283 -25.441 0.00 0.00 SOLV ATOM 32091 H2 TIP3 8699 29.901 20.675 -26.403 0.00 0.00 SOLV ATOM 32092 OH2 TIP3 8700 33.617 20.795 -42.036 0.00 0.00 SOLV ATOM 32093 H1 TIP3 8700 33.583 20.010 -42.613 0.00 0.00 SOLV ATOM 32094 H2 TIP3 8700 32.936 20.587 -41.396 0.00 0.00 SOLV ATOM 32095 OH2 TIP3 8701 31.213 23.295 -35.003 0.00 0.00 SOLV ATOM 32096 H1 TIP3 8701 31.586 24.234 -34.907 0.00 0.00 SOLV ATOM 32097 H2 TIP3 8701 30.253 23.448 -34.964 0.00 0.00 SOLV ATOM 32098 OH2 TIP3 8702 35.938 18.560 -43.165 0.00 0.00 SOLV ATOM 32099 H1 TIP3 8702 35.775 19.189 -43.899 0.00 0.00 SOLV ATOM 32100 H2 TIP3 8702 36.765 18.147 -43.417 0.00 0.00 SOLV ATOM 32101 OH2 TIP3 8703 27.594 18.003 -41.024 0.00 0.00 SOLV ATOM 32102 H1 TIP3 8703 26.789 18.497 -41.190 0.00 0.00 SOLV ATOM 32103 H2 TIP3 8703 27.690 17.380 -41.748 0.00 0.00 SOLV ATOM 32104 OH2 TIP3 8704 31.456 17.939 -3.790 0.00 0.00 SOLV ATOM 32105 H1 TIP3 8704 32.224 18.389 -4.116 0.00 0.00 SOLV ATOM 32106 H2 TIP3 8704 30.848 17.876 -4.553 0.00 0.00 SOLV ATOM 32107 OH2 TIP3 8705 36.489 25.185 -34.918 0.00 0.00 SOLV ATOM 32108 H1 TIP3 8705 36.442 25.710 -34.112 0.00 0.00 SOLV ATOM 32109 H2 TIP3 8705 36.009 24.376 -34.600 0.00 0.00 SOLV ATOM 32110 OH2 TIP3 8706 29.573 22.267 -9.748 0.00 0.00 SOLV ATOM 32111 H1 TIP3 8706 30.297 22.899 -9.847 0.00 0.00 SOLV ATOM 32112 H2 TIP3 8706 29.144 22.655 -8.941 0.00 0.00 SOLV ATOM 32113 OH2 TIP3 8707 33.133 27.274 -31.660 0.00 0.00 SOLV ATOM 32114 H1 TIP3 8707 34.111 26.980 -31.636 0.00 0.00 SOLV ATOM 32115 H2 TIP3 8707 32.819 27.231 -30.713 0.00 0.00 SOLV ATOM 32116 OH2 TIP3 8708 26.928 19.925 -45.090 0.00 0.00 SOLV ATOM 32117 H1 TIP3 8708 26.533 20.558 -45.685 0.00 0.00 SOLV ATOM 32118 H2 TIP3 8708 27.135 19.131 -45.617 0.00 0.00 SOLV ATOM 32119 OH2 TIP3 8709 38.319 17.685 -26.375 0.00 0.00 SOLV ATOM 32120 H1 TIP3 8709 39.051 17.088 -26.158 0.00 0.00 SOLV ATOM 32121 H2 TIP3 8709 38.687 18.162 -27.169 0.00 0.00 SOLV ATOM 32122 OH2 TIP3 8710 28.076 10.306 -30.276 0.00 0.00 SOLV ATOM 32123 H1 TIP3 8710 28.428 10.471 -31.184 0.00 0.00 SOLV ATOM 32124 H2 TIP3 8710 27.106 10.274 -30.490 0.00 0.00 SOLV ATOM 32125 OH2 TIP3 8711 28.769 16.178 -16.543 0.00 0.00 SOLV ATOM 32126 H1 TIP3 8711 29.355 16.640 -15.926 0.00 0.00 SOLV ATOM 32127 H2 TIP3 8711 29.261 16.296 -17.359 0.00 0.00 SOLV ATOM 32128 OH2 TIP3 8712 32.144 13.593 -19.522 0.00 0.00 SOLV ATOM 32129 H1 TIP3 8712 32.742 12.882 -19.620 0.00 0.00 SOLV ATOM 32130 H2 TIP3 8712 32.784 14.348 -19.677 0.00 0.00 SOLV ATOM 32131 OH2 TIP3 8713 39.718 17.790 -33.269 0.00 0.00 SOLV ATOM 32132 H1 TIP3 8713 39.275 18.135 -34.051 0.00 0.00 SOLV ATOM 32133 H2 TIP3 8713 40.647 17.947 -33.473 0.00 0.00 SOLV ATOM 32134 OH2 TIP3 8714 38.521 18.322 -35.684 0.00 0.00 SOLV ATOM 32135 H1 TIP3 8714 39.306 18.817 -35.998 0.00 0.00 SOLV ATOM 32136 H2 TIP3 8714 38.528 17.461 -36.187 0.00 0.00 SOLV ATOM 32137 OH2 TIP3 8715 29.863 25.876 -29.199 0.00 0.00 SOLV ATOM 32138 H1 TIP3 8715 29.049 26.363 -29.359 0.00 0.00 SOLV ATOM 32139 H2 TIP3 8715 29.546 25.133 -28.704 0.00 0.00 SOLV ATOM 32140 OH2 TIP3 8716 9.620 24.230 -23.611 0.00 0.00 SOLV ATOM 32141 H1 TIP3 8716 8.765 24.449 -24.002 0.00 0.00 SOLV ATOM 32142 H2 TIP3 8716 10.135 24.135 -24.429 0.00 0.00 SOLV ATOM 32143 OH2 TIP3 8717 30.911 26.042 -12.646 0.00 0.00 SOLV ATOM 32144 H1 TIP3 8717 30.290 26.218 -11.884 0.00 0.00 SOLV ATOM 32145 H2 TIP3 8717 30.288 25.555 -13.286 0.00 0.00 SOLV ATOM 32146 OH2 TIP3 8718 33.220 19.753 -28.391 0.00 0.00 SOLV ATOM 32147 H1 TIP3 8718 33.201 18.804 -28.212 0.00 0.00 SOLV ATOM 32148 H2 TIP3 8718 33.933 19.837 -29.007 0.00 0.00 SOLV ATOM 32149 OH2 TIP3 8719 31.733 16.648 -48.848 0.00 0.00 SOLV ATOM 32150 H1 TIP3 8719 31.866 16.615 -49.843 0.00 0.00 SOLV ATOM 32151 H2 TIP3 8719 32.639 16.755 -48.574 0.00 0.00 SOLV ATOM 32152 OH2 TIP3 8720 34.358 26.613 -20.950 0.00 0.00 SOLV ATOM 32153 H1 TIP3 8720 34.524 27.173 -20.120 0.00 0.00 SOLV ATOM 32154 H2 TIP3 8720 34.588 27.253 -21.636 0.00 0.00 SOLV ATOM 32155 OH2 TIP3 8721 38.823 23.258 -24.372 0.00 0.00 SOLV ATOM 32156 H1 TIP3 8721 38.034 22.938 -24.727 0.00 0.00 SOLV ATOM 32157 H2 TIP3 8721 39.307 22.426 -24.222 0.00 0.00 SOLV ATOM 32158 OH2 TIP3 8722 24.709 26.958 -44.532 0.00 0.00 SOLV ATOM 32159 H1 TIP3 8722 24.705 27.357 -45.398 0.00 0.00 SOLV ATOM 32160 H2 TIP3 8722 25.682 26.777 -44.331 0.00 0.00 SOLV ATOM 32161 OH2 TIP3 8723 27.755 24.182 -23.856 0.00 0.00 SOLV ATOM 32162 H1 TIP3 8723 26.976 24.056 -24.414 0.00 0.00 SOLV ATOM 32163 H2 TIP3 8723 27.625 23.538 -23.167 0.00 0.00 SOLV ATOM 32164 OH2 TIP3 8724 28.770 24.199 -27.263 0.00 0.00 SOLV ATOM 32165 H1 TIP3 8724 27.838 24.150 -26.959 0.00 0.00 SOLV ATOM 32166 H2 TIP3 8724 29.170 23.514 -26.729 0.00 0.00 SOLV ATOM 32167 OH2 TIP3 8725 34.456 18.964 -8.454 0.00 0.00 SOLV ATOM 32168 H1 TIP3 8725 34.729 18.192 -8.904 0.00 0.00 SOLV ATOM 32169 H2 TIP3 8725 34.017 19.445 -9.147 0.00 0.00 SOLV ATOM 32170 OH2 TIP3 8726 24.755 29.899 -24.696 0.00 0.00 SOLV ATOM 32171 H1 TIP3 8726 24.483 30.142 -25.594 0.00 0.00 SOLV ATOM 32172 H2 TIP3 8726 25.732 29.936 -24.716 0.00 0.00 SOLV ATOM 32173 OH2 TIP3 8727 33.594 25.566 -17.599 0.00 0.00 SOLV ATOM 32174 H1 TIP3 8727 33.125 25.802 -18.358 0.00 0.00 SOLV ATOM 32175 H2 TIP3 8727 32.842 25.259 -17.007 0.00 0.00 SOLV ATOM 32176 OH2 TIP3 8728 35.609 28.786 -18.813 0.00 0.00 SOLV ATOM 32177 H1 TIP3 8728 35.620 28.233 -18.044 0.00 0.00 SOLV ATOM 32178 H2 TIP3 8728 36.539 29.111 -18.868 0.00 0.00 SOLV ATOM 32179 OH2 TIP3 8729 26.538 28.843 -22.216 0.00 0.00 SOLV ATOM 32180 H1 TIP3 8729 25.776 28.251 -22.187 0.00 0.00 SOLV ATOM 32181 H2 TIP3 8729 26.859 28.691 -23.163 0.00 0.00 SOLV ATOM 32182 OH2 TIP3 8730 25.401 23.831 -32.061 0.00 0.00 SOLV ATOM 32183 H1 TIP3 8730 25.662 24.449 -32.792 0.00 0.00 SOLV ATOM 32184 H2 TIP3 8730 25.379 22.942 -32.496 0.00 0.00 SOLV ATOM 32185 OH2 TIP3 8731 39.213 21.011 -19.472 0.00 0.00 SOLV ATOM 32186 H1 TIP3 8731 38.869 21.526 -20.242 0.00 0.00 SOLV ATOM 32187 H2 TIP3 8731 39.254 21.649 -18.806 0.00 0.00 SOLV ATOM 32188 OH2 TIP3 8732 32.701 24.227 -30.792 0.00 0.00 SOLV ATOM 32189 H1 TIP3 8732 33.632 24.576 -30.432 0.00 0.00 SOLV ATOM 32190 H2 TIP3 8732 32.312 23.880 -29.987 0.00 0.00 SOLV ATOM 32191 OH2 TIP3 8733 43.125 17.427 -19.775 0.00 0.00 SOLV ATOM 32192 H1 TIP3 8733 42.395 16.810 -19.669 0.00 0.00 SOLV ATOM 32193 H2 TIP3 8733 42.840 18.186 -19.244 0.00 0.00 SOLV ATOM 32194 OH2 TIP3 8734 29.946 24.788 -43.142 0.00 0.00 SOLV ATOM 32195 H1 TIP3 8734 29.370 24.638 -43.928 0.00 0.00 SOLV ATOM 32196 H2 TIP3 8734 29.365 25.338 -42.637 0.00 0.00 SOLV ATOM 32197 OH2 TIP3 8735 35.854 17.255 -35.941 0.00 0.00 SOLV ATOM 32198 H1 TIP3 8735 36.278 16.523 -36.343 0.00 0.00 SOLV ATOM 32199 H2 TIP3 8735 36.639 17.700 -35.492 0.00 0.00 SOLV ATOM 32200 OH2 TIP3 8736 35.981 18.029 -11.294 0.00 0.00 SOLV ATOM 32201 H1 TIP3 8736 36.675 18.183 -10.599 0.00 0.00 SOLV ATOM 32202 H2 TIP3 8736 35.513 17.297 -10.830 0.00 0.00 SOLV ATOM 32203 OH2 TIP3 8737 31.393 30.152 -18.491 0.00 0.00 SOLV ATOM 32204 H1 TIP3 8737 31.671 30.421 -17.634 0.00 0.00 SOLV ATOM 32205 H2 TIP3 8737 31.101 29.222 -18.312 0.00 0.00 SOLV ATOM 32206 OH2 TIP3 8738 36.051 22.002 -14.875 0.00 0.00 SOLV ATOM 32207 H1 TIP3 8738 36.078 21.997 -15.841 0.00 0.00 SOLV ATOM 32208 H2 TIP3 8738 36.994 22.061 -14.657 0.00 0.00 SOLV ATOM 32209 OH2 TIP3 8739 33.250 24.147 -13.171 0.00 0.00 SOLV ATOM 32210 H1 TIP3 8739 33.528 23.372 -12.595 0.00 0.00 SOLV ATOM 32211 H2 TIP3 8739 32.689 24.672 -12.626 0.00 0.00 SOLV ATOM 32212 OH2 TIP3 8740 37.968 22.740 -21.366 0.00 0.00 SOLV ATOM 32213 H1 TIP3 8740 38.449 23.387 -21.896 0.00 0.00 SOLV ATOM 32214 H2 TIP3 8740 37.435 22.295 -22.089 0.00 0.00 SOLV ATOM 32215 OH2 TIP3 8741 29.303 20.501 -44.287 0.00 0.00 SOLV ATOM 32216 H1 TIP3 8741 29.390 21.165 -43.627 0.00 0.00 SOLV ATOM 32217 H2 TIP3 8741 28.351 20.394 -44.407 0.00 0.00 SOLV ATOM 32218 OH2 TIP3 8742 38.244 23.609 -13.363 0.00 0.00 SOLV ATOM 32219 H1 TIP3 8742 38.731 22.953 -13.903 0.00 0.00 SOLV ATOM 32220 H2 TIP3 8742 38.633 23.413 -12.515 0.00 0.00 SOLV ATOM 32221 OH2 TIP3 8743 40.754 18.683 -24.091 0.00 0.00 SOLV ATOM 32222 H1 TIP3 8743 40.566 17.878 -23.491 0.00 0.00 SOLV ATOM 32223 H2 TIP3 8743 41.672 18.501 -24.359 0.00 0.00 SOLV ATOM 32224 OH2 TIP3 8744 34.091 17.008 -33.142 0.00 0.00 SOLV ATOM 32225 H1 TIP3 8744 33.368 16.713 -32.623 0.00 0.00 SOLV ATOM 32226 H2 TIP3 8744 33.760 17.825 -33.482 0.00 0.00 SOLV ATOM 32227 OH2 TIP3 8745 39.663 23.070 -17.691 0.00 0.00 SOLV ATOM 32228 H1 TIP3 8745 38.857 23.551 -17.680 0.00 0.00 SOLV ATOM 32229 H2 TIP3 8745 40.212 23.593 -17.099 0.00 0.00 SOLV ATOM 32230 OH2 TIP3 8746 31.794 26.824 -9.602 0.00 0.00 SOLV ATOM 32231 H1 TIP3 8746 31.256 27.615 -9.762 0.00 0.00 SOLV ATOM 32232 H2 TIP3 8746 32.706 27.105 -9.777 0.00 0.00 SOLV ATOM 32233 OH2 TIP3 8747 27.719 17.204 -2.818 0.00 0.00 SOLV ATOM 32234 H1 TIP3 8747 28.051 17.191 -3.697 0.00 0.00 SOLV ATOM 32235 H2 TIP3 8747 27.580 18.156 -2.633 0.00 0.00 SOLV ATOM 32236 OH2 TIP3 8748 37.341 19.330 -40.588 0.00 0.00 SOLV ATOM 32237 H1 TIP3 8748 36.840 18.851 -39.911 0.00 0.00 SOLV ATOM 32238 H2 TIP3 8748 36.660 19.415 -41.299 0.00 0.00 SOLV ATOM 32239 OH2 TIP3 8749 31.031 19.816 -40.958 0.00 0.00 SOLV ATOM 32240 H1 TIP3 8749 30.558 19.406 -40.170 0.00 0.00 SOLV ATOM 32241 H2 TIP3 8749 30.668 19.302 -41.694 0.00 0.00 SOLV ATOM 32242 OH2 TIP3 8750 26.059 25.903 -15.174 0.00 0.00 SOLV ATOM 32243 H1 TIP3 8750 25.169 25.797 -15.517 0.00 0.00 SOLV ATOM 32244 H2 TIP3 8750 26.464 26.696 -15.574 0.00 0.00 SOLV ATOM 32245 OH2 TIP3 8751 30.214 31.738 -20.710 0.00 0.00 SOLV ATOM 32246 H1 TIP3 8751 29.259 31.871 -20.522 0.00 0.00 SOLV ATOM 32247 H2 TIP3 8751 30.473 31.009 -20.116 0.00 0.00 SOLV ATOM 32248 OH2 TIP3 8752 30.375 19.641 -10.587 0.00 0.00 SOLV ATOM 32249 H1 TIP3 8752 30.258 20.625 -10.595 0.00 0.00 SOLV ATOM 32250 H2 TIP3 8752 29.504 19.316 -10.193 0.00 0.00 SOLV ATOM 32251 OH2 TIP3 8753 33.135 17.239 -36.429 0.00 0.00 SOLV ATOM 32252 H1 TIP3 8753 32.779 16.818 -35.540 0.00 0.00 SOLV ATOM 32253 H2 TIP3 8753 34.042 17.466 -36.310 0.00 0.00 SOLV ATOM 32254 OH2 TIP3 8754 34.785 26.130 -24.541 0.00 0.00 SOLV ATOM 32255 H1 TIP3 8754 35.154 26.126 -25.448 0.00 0.00 SOLV ATOM 32256 H2 TIP3 8754 35.257 26.845 -24.091 0.00 0.00 SOLV ATOM 32257 OH2 TIP3 8755 38.653 17.126 -14.902 0.00 0.00 SOLV ATOM 32258 H1 TIP3 8755 38.811 17.415 -14.014 0.00 0.00 SOLV ATOM 32259 H2 TIP3 8755 39.269 16.399 -15.020 0.00 0.00 SOLV ATOM 32260 OH2 TIP3 8756 42.554 17.768 -12.951 0.00 0.00 SOLV ATOM 32261 H1 TIP3 8756 42.305 17.037 -13.488 0.00 0.00 SOLV ATOM 32262 H2 TIP3 8756 42.264 18.530 -13.486 0.00 0.00 SOLV ATOM 32263 OH2 TIP3 8757 33.935 17.031 -27.673 0.00 0.00 SOLV ATOM 32264 H1 TIP3 8757 34.426 16.663 -28.404 0.00 0.00 SOLV ATOM 32265 H2 TIP3 8757 34.729 17.455 -27.136 0.00 0.00 SOLV ATOM 32266 OH2 TIP3 8758 30.705 16.508 -42.894 0.00 0.00 SOLV ATOM 32267 H1 TIP3 8758 31.282 16.661 -42.152 0.00 0.00 SOLV ATOM 32268 H2 TIP3 8758 30.761 15.546 -42.981 0.00 0.00 SOLV ATOM 32269 OH2 TIP3 8759 32.979 19.934 -46.465 0.00 0.00 SOLV ATOM 32270 H1 TIP3 8759 32.854 20.718 -45.845 0.00 0.00 SOLV ATOM 32271 H2 TIP3 8759 32.375 19.318 -46.048 0.00 0.00 SOLV ATOM 32272 OH2 TIP3 8760 31.155 19.151 -13.149 0.00 0.00 SOLV ATOM 32273 H1 TIP3 8760 31.247 18.177 -13.090 0.00 0.00 SOLV ATOM 32274 H2 TIP3 8760 30.739 19.407 -12.337 0.00 0.00 SOLV ATOM 32275 OH2 TIP3 8761 29.802 27.469 -17.758 0.00 0.00 SOLV ATOM 32276 H1 TIP3 8761 29.122 26.881 -18.116 0.00 0.00 SOLV ATOM 32277 H2 TIP3 8761 29.240 28.266 -17.611 0.00 0.00 SOLV ATOM 32278 OH2 TIP3 8762 41.133 21.431 -23.671 0.00 0.00 SOLV ATOM 32279 H1 TIP3 8762 41.113 20.509 -23.500 0.00 0.00 SOLV ATOM 32280 H2 TIP3 8762 41.550 21.420 -24.537 0.00 0.00 SOLV ATOM 32281 OH2 TIP3 8763 31.572 20.783 -4.701 0.00 0.00 SOLV ATOM 32282 H1 TIP3 8763 30.663 20.725 -4.407 0.00 0.00 SOLV ATOM 32283 H2 TIP3 8763 31.909 21.593 -4.251 0.00 0.00 SOLV ATOM 32284 OH2 TIP3 8764 38.007 18.272 -31.010 0.00 0.00 SOLV ATOM 32285 H1 TIP3 8764 38.531 18.191 -31.858 0.00 0.00 SOLV ATOM 32286 H2 TIP3 8764 38.116 17.385 -30.620 0.00 0.00 SOLV ATOM 32287 OH2 TIP3 8765 38.995 21.540 -14.985 0.00 0.00 SOLV ATOM 32288 H1 TIP3 8765 38.718 20.677 -15.415 0.00 0.00 SOLV ATOM 32289 H2 TIP3 8765 39.678 21.849 -15.547 0.00 0.00 SOLV ATOM 32290 OH2 TIP3 8766 44.479 17.391 -22.246 0.00 0.00 SOLV ATOM 32291 H1 TIP3 8766 44.115 17.260 -21.367 0.00 0.00 SOLV ATOM 32292 H2 TIP3 8766 43.875 16.844 -22.748 0.00 0.00 SOLV ATOM 32293 OH2 TIP3 8767 9.835 14.559 -34.239 0.00 0.00 SOLV ATOM 32294 H1 TIP3 8767 9.446 15.225 -33.713 0.00 0.00 SOLV ATOM 32295 H2 TIP3 8767 9.844 13.806 -33.728 0.00 0.00 SOLV ATOM 32296 OH2 TIP3 8768 41.471 17.910 -27.467 0.00 0.00 SOLV ATOM 32297 H1 TIP3 8768 41.906 18.140 -28.332 0.00 0.00 SOLV ATOM 32298 H2 TIP3 8768 40.698 17.346 -27.763 0.00 0.00 SOLV ATOM 32299 OH2 TIP3 8769 32.820 21.972 -44.443 0.00 0.00 SOLV ATOM 32300 H1 TIP3 8769 33.490 21.659 -43.815 0.00 0.00 SOLV ATOM 32301 H2 TIP3 8769 32.159 22.365 -43.837 0.00 0.00 SOLV ATOM 32302 OH2 TIP3 8770 37.663 21.881 -11.392 0.00 0.00 SOLV ATOM 32303 H1 TIP3 8770 37.486 21.042 -11.883 0.00 0.00 SOLV ATOM 32304 H2 TIP3 8770 36.785 22.324 -11.448 0.00 0.00 SOLV ATOM 32305 OH2 TIP3 8771 28.093 20.044 -7.293 0.00 0.00 SOLV ATOM 32306 H1 TIP3 8771 28.204 20.904 -6.844 0.00 0.00 SOLV ATOM 32307 H2 TIP3 8771 27.809 19.453 -6.553 0.00 0.00 SOLV ATOM 32308 OH2 TIP3 8772 35.807 27.603 -16.419 0.00 0.00 SOLV ATOM 32309 H1 TIP3 8772 35.103 26.932 -16.368 0.00 0.00 SOLV ATOM 32310 H2 TIP3 8772 36.424 27.245 -15.791 0.00 0.00 SOLV ATOM 32311 OH2 TIP3 8773 34.726 18.830 -13.821 0.00 0.00 SOLV ATOM 32312 H1 TIP3 8773 34.616 18.240 -13.056 0.00 0.00 SOLV ATOM 32313 H2 TIP3 8773 34.282 18.322 -14.493 0.00 0.00 SOLV ATOM 32314 OH2 TIP3 8774 32.673 30.503 -23.182 0.00 0.00 SOLV ATOM 32315 H1 TIP3 8774 31.748 30.282 -23.282 0.00 0.00 SOLV ATOM 32316 H2 TIP3 8774 32.705 31.090 -22.349 0.00 0.00 SOLV ATOM 32317 OH2 TIP3 8775 36.884 21.288 -31.736 0.00 0.00 SOLV ATOM 32318 H1 TIP3 8775 37.149 21.209 -32.650 0.00 0.00 SOLV ATOM 32319 H2 TIP3 8775 37.642 20.994 -31.272 0.00 0.00 SOLV ATOM 32320 OH2 TIP3 8776 41.435 20.847 -16.122 0.00 0.00 SOLV ATOM 32321 H1 TIP3 8776 41.406 21.157 -17.048 0.00 0.00 SOLV ATOM 32322 H2 TIP3 8776 41.964 20.049 -16.237 0.00 0.00 SOLV ATOM 32323 OH2 TIP3 8777 37.751 20.983 -34.584 0.00 0.00 SOLV ATOM 32324 H1 TIP3 8777 38.734 21.191 -34.640 0.00 0.00 SOLV ATOM 32325 H2 TIP3 8777 37.634 20.098 -34.866 0.00 0.00 SOLV ATOM 32326 OH2 TIP3 8778 33.228 16.956 -12.482 0.00 0.00 SOLV ATOM 32327 H1 TIP3 8778 32.313 16.669 -12.668 0.00 0.00 SOLV ATOM 32328 H2 TIP3 8778 33.727 16.134 -12.384 0.00 0.00 SOLV ATOM 32329 OH2 TIP3 8779 34.257 21.542 -20.392 0.00 0.00 SOLV ATOM 32330 H1 TIP3 8779 34.055 22.442 -20.781 0.00 0.00 SOLV ATOM 32331 H2 TIP3 8779 35.132 21.397 -20.714 0.00 0.00 SOLV ATOM 32332 OH2 TIP3 8780 35.706 17.855 -25.798 0.00 0.00 SOLV ATOM 32333 H1 TIP3 8780 35.528 17.253 -25.073 0.00 0.00 SOLV ATOM 32334 H2 TIP3 8780 36.724 17.831 -25.941 0.00 0.00 SOLV ATOM 32335 OH2 TIP3 8781 42.014 19.963 -18.941 0.00 0.00 SOLV ATOM 32336 H1 TIP3 8781 41.049 20.003 -19.070 0.00 0.00 SOLV ATOM 32337 H2 TIP3 8781 42.310 20.661 -19.523 0.00 0.00 SOLV ATOM 32338 OH2 TIP3 8782 33.550 17.495 -42.159 0.00 0.00 SOLV ATOM 32339 H1 TIP3 8782 34.368 17.883 -42.588 0.00 0.00 SOLV ATOM 32340 H2 TIP3 8782 33.533 16.580 -42.536 0.00 0.00 SOLV ATOM 32341 OH2 TIP3 8783 32.114 24.758 -41.313 0.00 0.00 SOLV ATOM 32342 H1 TIP3 8783 31.742 24.501 -40.492 0.00 0.00 SOLV ATOM 32343 H2 TIP3 8783 31.411 24.895 -41.928 0.00 0.00 SOLV ATOM 32344 OH2 TIP3 8784 37.336 19.458 -13.072 0.00 0.00 SOLV ATOM 32345 H1 TIP3 8784 36.763 19.629 -13.838 0.00 0.00 SOLV ATOM 32346 H2 TIP3 8784 36.717 18.940 -12.541 0.00 0.00 SOLV ATOM 32347 OH2 TIP3 8785 42.408 17.010 -16.961 0.00 0.00 SOLV ATOM 32348 H1 TIP3 8785 42.822 17.346 -17.765 0.00 0.00 SOLV ATOM 32349 H2 TIP3 8785 42.687 17.647 -16.225 0.00 0.00 SOLV ATOM 32350 OH2 TIP3 8786 26.927 21.398 -10.106 0.00 0.00 SOLV ATOM 32351 H1 TIP3 8786 27.837 21.615 -10.104 0.00 0.00 SOLV ATOM 32352 H2 TIP3 8786 26.706 21.038 -9.206 0.00 0.00 SOLV ATOM 32353 OH2 TIP3 8787 38.086 18.252 -9.433 0.00 0.00 SOLV ATOM 32354 H1 TIP3 8787 38.981 17.992 -9.777 0.00 0.00 SOLV ATOM 32355 H2 TIP3 8787 38.138 19.185 -9.110 0.00 0.00 SOLV ATOM 32356 OH2 TIP3 8788 33.162 19.686 -10.721 0.00 0.00 SOLV ATOM 32357 H1 TIP3 8788 32.247 19.844 -10.360 0.00 0.00 SOLV ATOM 32358 H2 TIP3 8788 33.055 18.906 -11.222 0.00 0.00 SOLV ATOM 32359 OH2 TIP3 8789 38.477 19.466 -16.647 0.00 0.00 SOLV ATOM 32360 H1 TIP3 8789 39.061 19.302 -17.455 0.00 0.00 SOLV ATOM 32361 H2 TIP3 8789 38.646 18.698 -16.050 0.00 0.00 SOLV ATOM 32362 OH2 TIP3 8790 34.781 21.861 -11.935 0.00 0.00 SOLV ATOM 32363 H1 TIP3 8790 35.021 21.642 -12.885 0.00 0.00 SOLV ATOM 32364 H2 TIP3 8790 34.090 21.170 -11.753 0.00 0.00 SOLV ATOM 32365 OH2 TIP3 8791 43.424 18.300 -25.215 0.00 0.00 SOLV ATOM 32366 H1 TIP3 8791 42.849 18.177 -26.019 0.00 0.00 SOLV ATOM 32367 H2 TIP3 8791 43.721 17.413 -24.990 0.00 0.00 SOLV ATOM 32368 OH2 TIP3 8792 43.758 19.037 -15.893 0.00 0.00 SOLV ATOM 32369 H1 TIP3 8792 44.179 19.421 -16.664 0.00 0.00 SOLV ATOM 32370 H2 TIP3 8792 44.468 19.073 -15.276 0.00 0.00 SOLV ATOM 32371 OH2 TIP3 8793 27.500 17.369 -46.212 0.00 0.00 SOLV ATOM 32372 H1 TIP3 8793 28.109 16.920 -46.828 0.00 0.00 SOLV ATOM 32373 H2 TIP3 8793 26.615 16.976 -46.359 0.00 0.00 SOLV ATOM 32374 OH2 TIP3 8794 25.568 30.445 -15.584 0.00 0.00 SOLV ATOM 32375 H1 TIP3 8794 25.556 30.325 -14.642 0.00 0.00 SOLV ATOM 32376 H2 TIP3 8794 24.935 31.086 -15.789 0.00 0.00 SOLV ATOM 32377 OH2 TIP3 8795 6.525 6.455 -38.801 0.00 0.00 SOLV ATOM 32378 H1 TIP3 8795 6.956 5.611 -38.575 0.00 0.00 SOLV ATOM 32379 H2 TIP3 8795 6.509 6.464 -39.757 0.00 0.00 SOLV ATOM 32380 OH2 TIP3 8796 25.316 29.233 -37.060 0.00 0.00 SOLV ATOM 32381 H1 TIP3 8796 25.654 29.997 -36.511 0.00 0.00 SOLV ATOM 32382 H2 TIP3 8796 25.530 28.503 -36.558 0.00 0.00 SOLV ATOM 32383 OH2 TIP3 8797 6.494 16.887 -8.536 0.00 0.00 SOLV ATOM 32384 H1 TIP3 8797 7.133 16.405 -8.008 0.00 0.00 SOLV ATOM 32385 H2 TIP3 8797 6.388 16.276 -9.257 0.00 0.00 SOLV ATOM 32386 OH2 TIP3 8798 25.427 24.826 -20.163 0.00 0.00 SOLV ATOM 32387 H1 TIP3 8798 26.017 24.213 -20.631 0.00 0.00 SOLV ATOM 32388 H2 TIP3 8798 25.573 24.565 -19.235 0.00 0.00 SOLV ATOM 32389 OH2 TIP3 8799 29.438 24.419 -14.392 0.00 0.00 SOLV ATOM 32390 H1 TIP3 8799 30.008 23.663 -14.459 0.00 0.00 SOLV ATOM 32391 H2 TIP3 8799 28.661 24.067 -14.052 0.00 0.00 SOLV ATOM 32392 OH2 TIP3 8800 28.101 23.764 -34.174 0.00 0.00 SOLV ATOM 32393 H1 TIP3 8800 28.000 23.886 -33.236 0.00 0.00 SOLV ATOM 32394 H2 TIP3 8800 28.051 24.681 -34.500 0.00 0.00 SOLV ATOM 32395 OH2 TIP3 8801 26.024 29.572 -13.057 0.00 0.00 SOLV ATOM 32396 H1 TIP3 8801 26.344 30.198 -12.357 0.00 0.00 SOLV ATOM 32397 H2 TIP3 8801 25.342 29.024 -12.506 0.00 0.00 SOLV ATOM 32398 OH2 TIP3 8802 27.733 28.371 -24.732 0.00 0.00 SOLV ATOM 32399 H1 TIP3 8802 27.601 28.756 -25.627 0.00 0.00 SOLV ATOM 32400 H2 TIP3 8802 28.486 27.820 -24.991 0.00 0.00 SOLV ATOM 32401 OH2 TIP3 8803 27.460 32.245 -20.223 0.00 0.00 SOLV ATOM 32402 H1 TIP3 8803 26.972 33.057 -20.524 0.00 0.00 SOLV ATOM 32403 H2 TIP3 8803 26.693 31.631 -19.840 0.00 0.00 SOLV ATOM 32404 OH2 TIP3 8804 31.453 27.905 -26.033 0.00 0.00 SOLV ATOM 32405 H1 TIP3 8804 32.349 27.751 -25.708 0.00 0.00 SOLV ATOM 32406 H2 TIP3 8804 30.964 27.180 -25.674 0.00 0.00 SOLV ATOM 32407 OH2 TIP3 8805 25.108 19.200 -50.886 0.00 0.00 SOLV ATOM 32408 H1 TIP3 8805 25.907 19.609 -51.297 0.00 0.00 SOLV ATOM 32409 H2 TIP3 8805 24.473 19.849 -51.070 0.00 0.00 SOLV ATOM 32410 OH2 TIP3 8806 28.661 16.641 -5.453 0.00 0.00 SOLV ATOM 32411 H1 TIP3 8806 29.288 16.830 -6.178 0.00 0.00 SOLV ATOM 32412 H2 TIP3 8806 28.413 15.730 -5.591 0.00 0.00 SOLV ATOM 32413 OH2 TIP3 8807 33.655 22.006 -34.671 0.00 0.00 SOLV ATOM 32414 H1 TIP3 8807 33.878 22.555 -33.901 0.00 0.00 SOLV ATOM 32415 H2 TIP3 8807 32.905 22.551 -35.028 0.00 0.00 SOLV ATOM 32416 OH2 TIP3 8808 20.620 12.608 -38.581 0.00 0.00 SOLV ATOM 32417 H1 TIP3 8808 20.601 13.154 -39.402 0.00 0.00 SOLV ATOM 32418 H2 TIP3 8808 20.141 11.794 -38.828 0.00 0.00 SOLV ATOM 32419 OH2 TIP3 8809 24.559 17.091 -43.597 0.00 0.00 SOLV ATOM 32420 H1 TIP3 8809 24.622 16.116 -43.724 0.00 0.00 SOLV ATOM 32421 H2 TIP3 8809 25.545 17.262 -43.358 0.00 0.00 SOLV ATOM 32422 OH2 TIP3 8810 27.164 18.922 5.892 0.00 0.00 SOLV ATOM 32423 H1 TIP3 8810 27.371 18.068 6.280 0.00 0.00 SOLV ATOM 32424 H2 TIP3 8810 26.539 18.778 5.173 0.00 0.00 SOLV ATOM 32425 OH2 TIP3 8811 24.831 28.005 -17.389 0.00 0.00 SOLV ATOM 32426 H1 TIP3 8811 24.969 28.588 -16.692 0.00 0.00 SOLV ATOM 32427 H2 TIP3 8811 24.099 27.486 -17.118 0.00 0.00 SOLV ATOM 32428 OH2 TIP3 8812 27.261 21.741 -12.862 0.00 0.00 SOLV ATOM 32429 H1 TIP3 8812 27.401 22.718 -12.827 0.00 0.00 SOLV ATOM 32430 H2 TIP3 8812 27.249 21.589 -11.897 0.00 0.00 SOLV ATOM 32431 OH2 TIP3 8813 25.966 17.132 3.405 0.00 0.00 SOLV ATOM 32432 H1 TIP3 8813 25.827 16.325 2.847 0.00 0.00 SOLV ATOM 32433 H2 TIP3 8813 25.778 17.933 2.856 0.00 0.00 SOLV ATOM 32434 OH2 TIP3 8814 20.056 -12.188 -24.261 0.00 0.00 SOLV ATOM 32435 H1 TIP3 8814 19.853 -12.966 -24.802 0.00 0.00 SOLV ATOM 32436 H2 TIP3 8814 20.400 -11.563 -24.905 0.00 0.00 SOLV ATOM 32437 OH2 TIP3 8815 8.835 13.327 -36.542 0.00 0.00 SOLV ATOM 32438 H1 TIP3 8815 9.019 13.534 -35.642 0.00 0.00 SOLV ATOM 32439 H2 TIP3 8815 8.591 12.391 -36.517 0.00 0.00 SOLV ATOM 32440 OH2 TIP3 8816 26.740 24.441 -12.999 0.00 0.00 SOLV ATOM 32441 H1 TIP3 8816 26.295 25.031 -12.335 0.00 0.00 SOLV ATOM 32442 H2 TIP3 8816 26.561 24.987 -13.874 0.00 0.00 SOLV ATOM 32443 OH2 TIP3 8817 33.410 24.051 -21.248 0.00 0.00 SOLV ATOM 32444 H1 TIP3 8817 33.996 24.720 -20.930 0.00 0.00 SOLV ATOM 32445 H2 TIP3 8817 32.579 24.141 -20.677 0.00 0.00 SOLV ATOM 32446 OH2 TIP3 8818 25.767 21.241 -33.609 0.00 0.00 SOLV ATOM 32447 H1 TIP3 8818 26.485 20.816 -34.110 0.00 0.00 SOLV ATOM 32448 H2 TIP3 8818 25.278 20.500 -33.201 0.00 0.00 SOLV ATOM 32449 OH2 TIP3 8819 27.825 16.537 -43.507 0.00 0.00 SOLV ATOM 32450 H1 TIP3 8819 27.767 16.663 -44.454 0.00 0.00 SOLV ATOM 32451 H2 TIP3 8819 28.797 16.609 -43.276 0.00 0.00 SOLV ATOM 32452 OH2 TIP3 8820 26.853 16.583 -32.821 0.00 0.00 SOLV ATOM 32453 H1 TIP3 8820 26.407 15.807 -33.201 0.00 0.00 SOLV ATOM 32454 H2 TIP3 8820 27.560 16.137 -32.265 0.00 0.00 SOLV ATOM 32455 OH2 TIP3 8821 29.695 30.189 -14.479 0.00 0.00 SOLV ATOM 32456 H1 TIP3 8821 30.237 29.459 -13.976 0.00 0.00 SOLV ATOM 32457 H2 TIP3 8821 29.084 29.692 -14.999 0.00 0.00 SOLV ATOM 32458 OH2 TIP3 8822 22.349 23.743 -21.071 0.00 0.00 SOLV ATOM 32459 H1 TIP3 8822 23.030 23.563 -21.749 0.00 0.00 SOLV ATOM 32460 H2 TIP3 8822 22.508 22.949 -20.536 0.00 0.00 SOLV ATOM 32461 OH2 TIP3 8823 25.571 27.514 -7.816 0.00 0.00 SOLV ATOM 32462 H1 TIP3 8823 26.132 28.172 -8.332 0.00 0.00 SOLV ATOM 32463 H2 TIP3 8823 25.622 26.758 -8.447 0.00 0.00 SOLV ATOM 32464 OH2 TIP3 8824 28.661 27.130 -10.763 0.00 0.00 SOLV ATOM 32465 H1 TIP3 8824 27.890 26.684 -11.214 0.00 0.00 SOLV ATOM 32466 H2 TIP3 8824 28.253 27.981 -10.472 0.00 0.00 SOLV ATOM 32467 OH2 TIP3 8825 30.921 24.978 -17.123 0.00 0.00 SOLV ATOM 32468 H1 TIP3 8825 30.000 24.579 -17.148 0.00 0.00 SOLV ATOM 32469 H2 TIP3 8825 30.747 25.913 -16.983 0.00 0.00 SOLV ATOM 32470 OH2 TIP3 8826 29.014 28.562 -21.011 0.00 0.00 SOLV ATOM 32471 H1 TIP3 8826 28.628 28.518 -20.072 0.00 0.00 SOLV ATOM 32472 H2 TIP3 8826 28.182 28.510 -21.531 0.00 0.00 SOLV ATOM 32473 OH2 TIP3 8827 25.982 22.955 -45.761 0.00 0.00 SOLV ATOM 32474 H1 TIP3 8827 25.379 23.670 -45.951 0.00 0.00 SOLV ATOM 32475 H2 TIP3 8827 25.616 22.247 -46.447 0.00 0.00 SOLV ATOM 32476 OH2 TIP3 8828 27.379 18.375 -26.407 0.00 0.00 SOLV ATOM 32477 H1 TIP3 8828 26.478 18.089 -26.539 0.00 0.00 SOLV ATOM 32478 H2 TIP3 8828 27.861 17.687 -26.980 0.00 0.00 SOLV ATOM 32479 OH2 TIP3 8829 13.723 21.890 -27.939 0.00 0.00 SOLV ATOM 32480 H1 TIP3 8829 13.022 21.227 -27.574 0.00 0.00 SOLV ATOM 32481 H2 TIP3 8829 14.512 21.767 -27.317 0.00 0.00 SOLV ATOM 32482 OH2 TIP3 8830 25.247 16.836 -4.912 0.00 0.00 SOLV ATOM 32483 H1 TIP3 8830 25.914 16.153 -5.210 0.00 0.00 SOLV ATOM 32484 H2 TIP3 8830 25.089 16.524 -3.977 0.00 0.00 SOLV ATOM 32485 OH2 TIP3 8831 35.004 19.630 -30.882 0.00 0.00 SOLV ATOM 32486 H1 TIP3 8831 35.600 20.412 -31.086 0.00 0.00 SOLV ATOM 32487 H2 TIP3 8831 34.404 19.677 -31.644 0.00 0.00 SOLV ATOM 32488 OH2 TIP3 8832 28.016 18.503 -9.648 0.00 0.00 SOLV ATOM 32489 H1 TIP3 8832 27.934 19.114 -8.949 0.00 0.00 SOLV ATOM 32490 H2 TIP3 8832 28.489 17.781 -9.221 0.00 0.00 SOLV ATOM 32491 OH2 TIP3 8833 29.698 22.175 -46.543 0.00 0.00 SOLV ATOM 32492 H1 TIP3 8833 28.924 21.753 -47.033 0.00 0.00 SOLV ATOM 32493 H2 TIP3 8833 29.983 21.406 -45.981 0.00 0.00 SOLV ATOM 32494 OH2 TIP3 8834 25.328 28.833 -32.075 0.00 0.00 SOLV ATOM 32495 H1 TIP3 8834 25.274 29.720 -32.385 0.00 0.00 SOLV ATOM 32496 H2 TIP3 8834 24.438 28.482 -32.219 0.00 0.00 SOLV ATOM 32497 OH2 TIP3 8835 28.059 23.764 -7.828 0.00 0.00 SOLV ATOM 32498 H1 TIP3 8835 27.976 23.324 -6.924 0.00 0.00 SOLV ATOM 32499 H2 TIP3 8835 28.566 24.571 -7.687 0.00 0.00 SOLV ATOM 32500 OH2 TIP3 8836 30.420 27.703 -35.676 0.00 0.00 SOLV ATOM 32501 H1 TIP3 8836 30.286 28.476 -35.061 0.00 0.00 SOLV ATOM 32502 H2 TIP3 8836 30.282 28.053 -36.548 0.00 0.00 SOLV ATOM 32503 OH2 TIP3 8837 33.395 29.256 -15.584 0.00 0.00 SOLV ATOM 32504 H1 TIP3 8837 34.187 29.135 -16.072 0.00 0.00 SOLV ATOM 32505 H2 TIP3 8837 33.311 28.375 -15.108 0.00 0.00 SOLV ATOM 32506 OH2 TIP3 8838 33.788 30.326 -20.143 0.00 0.00 SOLV ATOM 32507 H1 TIP3 8838 34.466 29.932 -19.622 0.00 0.00 SOLV ATOM 32508 H2 TIP3 8838 33.034 30.463 -19.491 0.00 0.00 SOLV ATOM 32509 OH2 TIP3 8839 26.044 25.066 -9.421 0.00 0.00 SOLV ATOM 32510 H1 TIP3 8839 26.665 24.510 -8.995 0.00 0.00 SOLV ATOM 32511 H2 TIP3 8839 25.462 24.415 -9.888 0.00 0.00 SOLV ATOM 32512 OH2 TIP3 8840 30.210 25.652 -24.618 0.00 0.00 SOLV ATOM 32513 H1 TIP3 8840 29.406 25.052 -24.440 0.00 0.00 SOLV ATOM 32514 H2 TIP3 8840 31.005 25.219 -24.283 0.00 0.00 SOLV ATOM 32515 OH2 TIP3 8841 32.012 25.916 -34.384 0.00 0.00 SOLV ATOM 32516 H1 TIP3 8841 32.516 26.593 -33.887 0.00 0.00 SOLV ATOM 32517 H2 TIP3 8841 31.387 26.469 -34.932 0.00 0.00 SOLV ATOM 32518 OH2 TIP3 8842 26.532 22.935 -36.107 0.00 0.00 SOLV ATOM 32519 H1 TIP3 8842 26.589 21.996 -35.840 0.00 0.00 SOLV ATOM 32520 H2 TIP3 8842 26.865 23.369 -35.293 0.00 0.00 SOLV ATOM 32521 OH2 TIP3 8843 27.164 27.666 -18.837 0.00 0.00 SOLV ATOM 32522 H1 TIP3 8843 26.722 27.057 -19.377 0.00 0.00 SOLV ATOM 32523 H2 TIP3 8843 26.552 27.836 -18.140 0.00 0.00 SOLV ATOM 32524 OH2 TIP3 8844 36.309 24.589 -22.901 0.00 0.00 SOLV ATOM 32525 H1 TIP3 8844 37.109 25.020 -23.196 0.00 0.00 SOLV ATOM 32526 H2 TIP3 8844 35.650 24.988 -23.536 0.00 0.00 SOLV ATOM 32527 OH2 TIP3 8845 31.910 16.850 -31.449 0.00 0.00 SOLV ATOM 32528 H1 TIP3 8845 31.017 16.506 -31.619 0.00 0.00 SOLV ATOM 32529 H2 TIP3 8845 31.745 17.649 -30.833 0.00 0.00 SOLV ATOM 32530 OH2 TIP3 8846 24.090 4.983 -36.941 0.00 0.00 SOLV ATOM 32531 H1 TIP3 8846 24.969 4.991 -36.622 0.00 0.00 SOLV ATOM 32532 H2 TIP3 8846 24.182 4.423 -37.758 0.00 0.00 SOLV ATOM 32533 OH2 TIP3 8847 34.751 22.381 -17.685 0.00 0.00 SOLV ATOM 32534 H1 TIP3 8847 34.606 22.043 -18.583 0.00 0.00 SOLV ATOM 32535 H2 TIP3 8847 34.907 23.365 -17.855 0.00 0.00 SOLV ATOM 32536 OH2 TIP3 8848 27.767 26.906 -38.186 0.00 0.00 SOLV ATOM 32537 H1 TIP3 8848 27.212 27.375 -38.812 0.00 0.00 SOLV ATOM 32538 H2 TIP3 8848 28.684 27.059 -38.544 0.00 0.00 SOLV ATOM 32539 OH2 TIP3 8849 24.421 22.087 22.010 0.00 0.00 SOLV ATOM 32540 H1 TIP3 8849 24.903 22.409 21.250 0.00 0.00 SOLV ATOM 32541 H2 TIP3 8849 25.028 22.200 22.767 0.00 0.00 SOLV ATOM 32542 OH2 TIP3 8850 26.080 23.101 9.363 0.00 0.00 SOLV ATOM 32543 H1 TIP3 8850 26.363 22.158 9.400 0.00 0.00 SOLV ATOM 32544 H2 TIP3 8850 25.198 23.018 8.903 0.00 0.00 SOLV ATOM 32545 OH2 TIP3 8851 24.469 19.400 28.040 0.00 0.00 SOLV ATOM 32546 H1 TIP3 8851 23.740 18.949 27.551 0.00 0.00 SOLV ATOM 32547 H2 TIP3 8851 24.820 19.955 27.332 0.00 0.00 SOLV ATOM 32548 OH2 TIP3 8852 24.767 16.841 29.377 0.00 0.00 SOLV ATOM 32549 H1 TIP3 8852 24.849 17.693 28.901 0.00 0.00 SOLV ATOM 32550 H2 TIP3 8852 25.519 16.304 29.149 0.00 0.00 SOLV ATOM 32551 OH2 TIP3 8853 27.823 21.107 17.234 0.00 0.00 SOLV ATOM 32552 H1 TIP3 8853 27.529 21.691 16.517 0.00 0.00 SOLV ATOM 32553 H2 TIP3 8853 28.237 20.392 16.747 0.00 0.00 SOLV ATOM 32554 OH2 TIP3 8854 26.797 22.226 23.672 0.00 0.00 SOLV ATOM 32555 H1 TIP3 8854 26.577 22.580 24.518 0.00 0.00 SOLV ATOM 32556 H2 TIP3 8854 27.720 22.452 23.545 0.00 0.00 SOLV ATOM 32557 OH2 TIP3 8855 27.129 22.605 14.960 0.00 0.00 SOLV ATOM 32558 H1 TIP3 8855 26.886 22.656 13.981 0.00 0.00 SOLV ATOM 32559 H2 TIP3 8855 27.830 23.274 15.000 0.00 0.00 SOLV ATOM 32560 OH2 TIP3 8856 25.167 20.889 17.999 0.00 0.00 SOLV ATOM 32561 H1 TIP3 8856 24.845 19.988 17.759 0.00 0.00 SOLV ATOM 32562 H2 TIP3 8856 25.925 21.004 17.409 0.00 0.00 SOLV ATOM 32563 OH2 TIP3 8857 24.751 18.003 24.735 0.00 0.00 SOLV ATOM 32564 H1 TIP3 8857 24.755 17.519 23.934 0.00 0.00 SOLV ATOM 32565 H2 TIP3 8857 23.849 18.365 24.740 0.00 0.00 SOLV ATOM 32566 OH2 TIP3 8858 26.258 19.626 22.817 0.00 0.00 SOLV ATOM 32567 H1 TIP3 8858 26.621 20.501 22.964 0.00 0.00 SOLV ATOM 32568 H2 TIP3 8858 26.537 19.419 21.842 0.00 0.00 SOLV ATOM 32569 OH2 TIP3 8859 26.398 17.156 8.927 0.00 0.00 SOLV ATOM 32570 H1 TIP3 8859 26.099 16.329 9.393 0.00 0.00 SOLV ATOM 32571 H2 TIP3 8859 25.733 17.281 8.178 0.00 0.00 SOLV ATOM 32572 OH2 TIP3 8860 27.740 17.858 11.113 0.00 0.00 SOLV ATOM 32573 H1 TIP3 8860 27.438 17.683 10.214 0.00 0.00 SOLV ATOM 32574 H2 TIP3 8860 28.637 18.156 10.953 0.00 0.00 SOLV ATOM 32575 OH2 TIP3 8861 28.959 19.024 15.714 0.00 0.00 SOLV ATOM 32576 H1 TIP3 8861 29.879 19.122 15.543 0.00 0.00 SOLV ATOM 32577 H2 TIP3 8861 28.853 18.036 15.782 0.00 0.00 SOLV ATOM 32578 OH2 TIP3 8862 29.073 22.136 12.442 0.00 0.00 SOLV ATOM 32579 H1 TIP3 8862 29.478 21.545 11.815 0.00 0.00 SOLV ATOM 32580 H2 TIP3 8862 29.829 22.205 13.053 0.00 0.00 SOLV ATOM 32581 OH2 TIP3 8863 25.863 20.399 26.046 0.00 0.00 SOLV ATOM 32582 H1 TIP3 8863 25.955 19.469 25.667 0.00 0.00 SOLV ATOM 32583 H2 TIP3 8863 25.009 20.702 25.676 0.00 0.00 SOLV ATOM 32584 OH2 TIP3 8864 26.841 20.195 12.477 0.00 0.00 SOLV ATOM 32585 H1 TIP3 8864 27.103 19.353 12.072 0.00 0.00 SOLV ATOM 32586 H2 TIP3 8864 27.639 20.760 12.468 0.00 0.00 SOLV ATOM 32587 OH2 TIP3 8865 27.594 18.003 24.395 0.00 0.00 SOLV ATOM 32588 H1 TIP3 8865 26.789 18.497 24.229 0.00 0.00 SOLV ATOM 32589 H2 TIP3 8865 27.690 17.380 23.671 0.00 0.00 SOLV ATOM 32590 OH2 TIP3 8866 29.560 18.031 7.919 0.00 0.00 SOLV ATOM 32591 H1 TIP3 8866 29.116 17.530 8.654 0.00 0.00 SOLV ATOM 32592 H2 TIP3 8866 30.450 17.722 8.005 0.00 0.00 SOLV ATOM 32593 OH2 TIP3 8867 26.928 19.925 20.330 0.00 0.00 SOLV ATOM 32594 H1 TIP3 8867 26.533 20.558 19.734 0.00 0.00 SOLV ATOM 32595 H2 TIP3 8867 27.135 19.131 19.802 0.00 0.00 SOLV ATOM 32596 OH2 TIP3 8868 31.733 16.648 16.572 0.00 0.00 SOLV ATOM 32597 H1 TIP3 8868 31.866 16.615 15.576 0.00 0.00 SOLV ATOM 32598 H2 TIP3 8868 32.639 16.755 16.845 0.00 0.00 SOLV ATOM 32599 OH2 TIP3 8869 29.303 20.501 21.133 0.00 0.00 SOLV ATOM 32600 H1 TIP3 8869 29.390 21.165 21.793 0.00 0.00 SOLV ATOM 32601 H2 TIP3 8869 28.351 20.394 21.013 0.00 0.00 SOLV ATOM 32602 OH2 TIP3 8870 30.705 16.508 22.525 0.00 0.00 SOLV ATOM 32603 H1 TIP3 8870 31.282 16.661 23.267 0.00 0.00 SOLV ATOM 32604 H2 TIP3 8870 30.761 15.546 22.439 0.00 0.00 SOLV ATOM 32605 OH2 TIP3 8871 27.500 17.369 19.208 0.00 0.00 SOLV ATOM 32606 H1 TIP3 8871 28.109 16.920 18.592 0.00 0.00 SOLV ATOM 32607 H2 TIP3 8871 26.615 16.976 19.060 0.00 0.00 SOLV ATOM 32608 OH2 TIP3 8872 30.559 20.088 11.123 0.00 0.00 SOLV ATOM 32609 H1 TIP3 8872 31.151 20.256 10.369 0.00 0.00 SOLV ATOM 32610 H2 TIP3 8872 31.226 19.828 11.797 0.00 0.00 SOLV ATOM 32611 OH2 TIP3 8873 25.108 19.200 14.533 0.00 0.00 SOLV ATOM 32612 H1 TIP3 8873 25.907 19.609 14.122 0.00 0.00 SOLV ATOM 32613 H2 TIP3 8873 24.473 19.849 14.350 0.00 0.00 SOLV ATOM 32614 OH2 TIP3 8874 24.559 17.091 21.823 0.00 0.00 SOLV ATOM 32615 H1 TIP3 8874 24.622 16.116 21.696 0.00 0.00 SOLV ATOM 32616 H2 TIP3 8874 25.545 17.262 22.061 0.00 0.00 SOLV ATOM 32617 OH2 TIP3 8875 24.869 23.786 16.559 0.00 0.00 SOLV ATOM 32618 H1 TIP3 8875 24.622 22.899 16.515 0.00 0.00 SOLV ATOM 32619 H2 TIP3 8875 25.216 23.983 15.676 0.00 0.00 SOLV ATOM 32620 OH2 TIP3 8876 27.825 16.537 21.913 0.00 0.00 SOLV ATOM 32621 H1 TIP3 8876 27.767 16.663 20.965 0.00 0.00 SOLV ATOM 32622 H2 TIP3 8876 28.797 16.609 22.143 0.00 0.00 SOLV ATOM 32623 OH2 TIP3 8877 26.698 20.342 8.620 0.00 0.00 SOLV ATOM 32624 H1 TIP3 8877 27.121 19.811 7.980 0.00 0.00 SOLV ATOM 32625 H2 TIP3 8877 25.976 19.825 8.835 0.00 0.00 SOLV ATOM 32626 OH2 TIP3 8878 25.982 22.955 19.658 0.00 0.00 SOLV ATOM 32627 H1 TIP3 8878 25.379 23.670 19.469 0.00 0.00 SOLV ATOM 32628 H2 TIP3 8878 25.616 22.247 18.973 0.00 0.00 SOLV ATOM 32629 OH2 TIP3 8879 25.733 25.805 14.593 0.00 0.00 SOLV ATOM 32630 H1 TIP3 8879 25.753 25.126 13.864 0.00 0.00 SOLV ATOM 32631 H2 TIP3 8879 26.476 26.372 14.399 0.00 0.00 SOLV ATOM 32632 OH2 TIP3 8880 31.991 16.839 10.898 0.00 0.00 SOLV ATOM 32633 H1 TIP3 8880 32.056 16.759 9.922 0.00 0.00 SOLV ATOM 32634 H2 TIP3 8880 31.047 16.654 10.949 0.00 0.00 SOLV ATOM 32635 OH2 TIP3 8881 25.552 23.500 12.497 0.00 0.00 SOLV ATOM 32636 H1 TIP3 8881 25.621 23.522 11.557 0.00 0.00 SOLV ATOM 32637 H2 TIP3 8881 24.778 22.969 12.722 0.00 0.00 SOLV ATOM 32638 OH2 TIP3 8882 29.698 22.175 18.877 0.00 0.00 SOLV ATOM 32639 H1 TIP3 8882 28.924 21.753 18.386 0.00 0.00 SOLV ATOM 32640 H2 TIP3 8882 29.983 21.406 19.439 0.00 0.00 SOLV ATOM 32641 OH2 TIP3 8883 21.301 -5.995 -20.931 0.00 0.00 SOLV ATOM 32642 H1 TIP3 8883 21.196 -5.064 -20.804 0.00 0.00 SOLV ATOM 32643 H2 TIP3 8883 20.543 -6.399 -20.493 0.00 0.00 SOLV ATOM 32644 OH2 TIP3 8884 0.383 -4.023 7.470 0.00 0.00 SOLV ATOM 32645 H1 TIP3 8884 1.284 -3.680 7.566 0.00 0.00 SOLV ATOM 32646 H2 TIP3 8884 0.440 -4.968 7.671 0.00 0.00 SOLV ATOM 32647 OH2 TIP3 8885 26.450 -7.440 -26.680 0.00 0.00 SOLV ATOM 32648 H1 TIP3 8885 26.813 -6.541 -26.784 0.00 0.00 SOLV ATOM 32649 H2 TIP3 8885 26.277 -7.487 -25.771 0.00 0.00 SOLV ATOM 32650 OH2 TIP3 8886 18.225 16.163 -41.210 0.00 0.00 SOLV ATOM 32651 H1 TIP3 8886 17.423 15.895 -40.762 0.00 0.00 SOLV ATOM 32652 H2 TIP3 8886 18.408 16.991 -40.813 0.00 0.00 SOLV ATOM 32653 OH2 TIP3 8887 7.881 -1.042 -42.986 0.00 0.00 SOLV ATOM 32654 H1 TIP3 8887 7.214 -0.404 -42.730 0.00 0.00 SOLV ATOM 32655 H2 TIP3 8887 8.690 -0.719 -42.527 0.00 0.00 SOLV ATOM 32656 OH2 TIP3 8888 -15.114 -14.997 14.099 0.00 0.00 SOLV ATOM 32657 H1 TIP3 8888 -15.230 -14.304 13.375 0.00 0.00 SOLV ATOM 32658 H2 TIP3 8888 -15.962 -15.514 14.059 0.00 0.00 SOLV ATOM 32659 OH2 TIP3 8889 -13.689 -14.769 -6.364 0.00 0.00 SOLV ATOM 32660 H1 TIP3 8889 -14.628 -14.609 -6.476 0.00 0.00 SOLV ATOM 32661 H2 TIP3 8889 -13.375 -14.822 -7.268 0.00 0.00 SOLV ATOM 32662 OH2 TIP3 8890 -4.891 11.381 -26.143 0.00 0.00 SOLV ATOM 32663 H1 TIP3 8890 -5.762 11.901 -26.169 0.00 0.00 SOLV ATOM 32664 H2 TIP3 8890 -4.280 12.025 -25.702 0.00 0.00 SOLV ATOM 32665 OH2 TIP3 8891 -12.541 -18.293 39.440 0.00 0.00 SOLV ATOM 32666 H1 TIP3 8891 -12.852 -18.209 38.570 0.00 0.00 SOLV ATOM 32667 H2 TIP3 8891 -11.601 -17.985 39.481 0.00 0.00 SOLV ATOM 32668 OH2 TIP3 8892 7.217 1.110 -12.592 0.00 0.00 SOLV ATOM 32669 H1 TIP3 8892 7.718 0.306 -12.791 0.00 0.00 SOLV ATOM 32670 H2 TIP3 8892 7.295 1.654 -13.422 0.00 0.00 SOLV ATOM 32671 OH2 TIP3 8893 -25.018 -2.152 -0.417 0.00 0.00 SOLV ATOM 32672 H1 TIP3 8893 -24.451 -2.843 -0.028 0.00 0.00 SOLV ATOM 32673 H2 TIP3 8893 -25.670 -2.603 -0.902 0.00 0.00 SOLV ATOM 32674 OH2 TIP3 8894 -1.533 10.301 -36.975 0.00 0.00 SOLV ATOM 32675 H1 TIP3 8894 -1.471 10.754 -37.812 0.00 0.00 SOLV ATOM 32676 H2 TIP3 8894 -0.797 10.640 -36.396 0.00 0.00 SOLV ATOM 32677 OH2 TIP3 8895 -18.650 -25.084 28.798 0.00 0.00 SOLV ATOM 32678 H1 TIP3 8895 -18.096 -24.919 29.512 0.00 0.00 SOLV ATOM 32679 H2 TIP3 8895 -19.453 -24.557 28.942 0.00 0.00 SOLV ATOM 32680 OH2 TIP3 8896 -14.506 17.075 4.265 0.00 0.00 SOLV ATOM 32681 H1 TIP3 8896 -13.720 16.564 4.088 0.00 0.00 SOLV ATOM 32682 H2 TIP3 8896 -14.549 17.605 3.448 0.00 0.00 SOLV ATOM 32683 OH2 TIP3 8897 -5.565 5.443 -33.964 0.00 0.00 SOLV ATOM 32684 H1 TIP3 8897 -6.437 5.230 -34.427 0.00 0.00 SOLV ATOM 32685 H2 TIP3 8897 -5.374 4.631 -33.479 0.00 0.00 SOLV ATOM 32686 OH2 TIP3 8898 -10.848 -8.797 23.392 0.00 0.00 SOLV ATOM 32687 H1 TIP3 8898 -11.602 -8.199 23.591 0.00 0.00 SOLV ATOM 32688 H2 TIP3 8898 -10.385 -8.267 22.718 0.00 0.00 SOLV ATOM 32689 OH2 TIP3 8899 -9.703 -18.528 -10.306 0.00 0.00 SOLV ATOM 32690 H1 TIP3 8899 -10.095 -17.786 -10.887 0.00 0.00 SOLV ATOM 32691 H2 TIP3 8899 -10.482 -18.957 -10.012 0.00 0.00 SOLV ATOM 32692 OH2 TIP3 8900 8.678 -9.736 -26.132 0.00 0.00 SOLV ATOM 32693 H1 TIP3 8900 9.574 -9.467 -25.900 0.00 0.00 SOLV ATOM 32694 H2 TIP3 8900 8.546 -10.481 -25.467 0.00 0.00 SOLV ATOM 32695 OH2 TIP3 8901 22.740 -5.771 -9.441 0.00 0.00 SOLV ATOM 32696 H1 TIP3 8901 23.179 -5.503 -8.631 0.00 0.00 SOLV ATOM 32697 H2 TIP3 8901 23.506 -6.027 -10.012 0.00 0.00 SOLV ATOM 32698 OH2 TIP3 8902 17.779 14.617 14.370 0.00 0.00 SOLV ATOM 32699 H1 TIP3 8902 17.522 15.031 15.171 0.00 0.00 SOLV ATOM 32700 H2 TIP3 8902 16.933 14.473 13.879 0.00 0.00 SOLV ATOM 32701 OH2 TIP3 8903 12.863 -8.840 -41.571 0.00 0.00 SOLV ATOM 32702 H1 TIP3 8903 13.623 -8.638 -42.066 0.00 0.00 SOLV ATOM 32703 H2 TIP3 8903 12.899 -9.766 -41.886 0.00 0.00 SOLV ATOM 32704 OH2 TIP3 8904 -1.293 -3.687 -37.994 0.00 0.00 SOLV ATOM 32705 H1 TIP3 8904 -2.024 -4.242 -37.744 0.00 0.00 SOLV ATOM 32706 H2 TIP3 8904 -1.116 -3.900 -38.909 0.00 0.00 SOLV ATOM 32707 OH2 TIP3 8905 15.669 -2.835 -8.160 0.00 0.00 SOLV ATOM 32708 H1 TIP3 8905 15.223 -1.990 -8.091 0.00 0.00 SOLV ATOM 32709 H2 TIP3 8905 16.578 -2.558 -7.907 0.00 0.00 SOLV ATOM 32710 OH2 TIP3 8906 7.436 15.131 -10.625 0.00 0.00 SOLV ATOM 32711 H1 TIP3 8906 7.765 15.865 -11.177 0.00 0.00 SOLV ATOM 32712 H2 TIP3 8906 7.742 14.313 -11.100 0.00 0.00 SOLV ATOM 32713 OH2 TIP3 8907 -0.058 -9.606 -33.864 0.00 0.00 SOLV ATOM 32714 H1 TIP3 8907 0.121 -9.013 -33.074 0.00 0.00 SOLV ATOM 32715 H2 TIP3 8907 -0.609 -9.044 -34.431 0.00 0.00 SOLV ATOM 32716 OH2 TIP3 8908 26.400 -1.738 -11.710 0.00 0.00 SOLV ATOM 32717 H1 TIP3 8908 25.643 -2.318 -11.933 0.00 0.00 SOLV ATOM 32718 H2 TIP3 8908 27.167 -2.253 -11.966 0.00 0.00 SOLV ATOM 32719 OH2 TIP3 8909 -16.808 -20.077 -13.922 0.00 0.00 SOLV ATOM 32720 H1 TIP3 8909 -16.944 -20.871 -13.451 0.00 0.00 SOLV ATOM 32721 H2 TIP3 8909 -15.887 -20.023 -13.968 0.00 0.00 SOLV ATOM 32722 OH2 TIP3 8910 20.991 5.200 -44.662 0.00 0.00 SOLV ATOM 32723 H1 TIP3 8910 21.224 5.056 -43.718 0.00 0.00 SOLV ATOM 32724 H2 TIP3 8910 21.625 4.598 -45.096 0.00 0.00 SOLV ATOM 32725 OH2 TIP3 8911 15.118 15.370 16.073 0.00 0.00 SOLV ATOM 32726 H1 TIP3 8911 14.719 14.599 15.574 0.00 0.00 SOLV ATOM 32727 H2 TIP3 8911 15.043 15.128 16.957 0.00 0.00 SOLV ATOM 32728 OH2 TIP3 8912 -13.468 -2.647 -25.089 0.00 0.00 SOLV ATOM 32729 H1 TIP3 8912 -14.402 -2.320 -25.271 0.00 0.00 SOLV ATOM 32730 H2 TIP3 8912 -13.550 -3.600 -25.347 0.00 0.00 SOLV ATOM 32731 OH2 TIP3 8913 24.612 -9.142 -36.050 0.00 0.00 SOLV ATOM 32732 H1 TIP3 8913 25.513 -9.411 -36.374 0.00 0.00 SOLV ATOM 32733 H2 TIP3 8913 24.794 -8.686 -35.175 0.00 0.00 SOLV ATOM 32734 OH2 TIP3 8914 1.973 11.814 -34.516 0.00 0.00 SOLV ATOM 32735 H1 TIP3 8914 2.712 12.242 -33.989 0.00 0.00 SOLV ATOM 32736 H2 TIP3 8914 1.657 12.671 -34.931 0.00 0.00 SOLV ATOM 32737 OH2 TIP3 8915 16.479 -8.271 -41.258 0.00 0.00 SOLV ATOM 32738 H1 TIP3 8915 17.131 -7.572 -41.341 0.00 0.00 SOLV ATOM 32739 H2 TIP3 8915 15.753 -7.765 -40.822 0.00 0.00 SOLV ATOM 32740 OH2 TIP3 8916 1.011 -4.935 -35.978 0.00 0.00 SOLV ATOM 32741 H1 TIP3 8916 0.930 -5.706 -36.377 0.00 0.00 SOLV ATOM 32742 H2 TIP3 8916 1.179 -4.268 -36.670 0.00 0.00 SOLV ATOM 32743 OH2 TIP3 8917 -9.138 -15.301 5.035 0.00 0.00 SOLV ATOM 32744 H1 TIP3 8917 -9.804 -15.264 5.732 0.00 0.00 SOLV ATOM 32745 H2 TIP3 8917 -8.301 -15.155 5.515 0.00 0.00 SOLV ATOM 32746 OH2 TIP3 8918 -15.597 3.014 31.142 0.00 0.00 SOLV ATOM 32747 H1 TIP3 8918 -14.675 2.831 31.247 0.00 0.00 SOLV ATOM 32748 H2 TIP3 8918 -15.895 3.078 32.041 0.00 0.00 SOLV ATOM 32749 OH2 TIP3 8919 -22.627 -9.888 19.672 0.00 0.00 SOLV ATOM 32750 H1 TIP3 8919 -23.521 -9.982 19.993 0.00 0.00 SOLV ATOM 32751 H2 TIP3 8919 -22.700 -10.011 18.726 0.00 0.00 SOLV ATOM 32752 OH2 TIP3 8920 13.466 8.510 37.679 0.00 0.00 SOLV ATOM 32753 H1 TIP3 8920 13.510 8.309 38.554 0.00 0.00 SOLV ATOM 32754 H2 TIP3 8920 14.177 9.206 37.671 0.00 0.00 SOLV ATOM 32755 OH2 TIP3 8921 -6.694 -29.917 37.246 0.00 0.00 SOLV ATOM 32756 H1 TIP3 8921 -7.276 -30.607 36.952 0.00 0.00 SOLV ATOM 32757 H2 TIP3 8921 -5.856 -30.407 37.515 0.00 0.00 SOLV ATOM 32758 OH2 TIP3 8922 -23.542 -18.433 21.530 0.00 0.00 SOLV ATOM 32759 H1 TIP3 8922 -23.703 -19.355 21.494 0.00 0.00 SOLV ATOM 32760 H2 TIP3 8922 -23.415 -18.241 22.463 0.00 0.00 SOLV ATOM 32761 OH2 TIP3 8923 -15.639 -24.120 22.965 0.00 0.00 SOLV ATOM 32762 H1 TIP3 8923 -15.841 -24.668 23.804 0.00 0.00 SOLV ATOM 32763 H2 TIP3 8923 -14.836 -24.492 22.565 0.00 0.00 SOLV ATOM 32764 OH2 TIP3 8924 -17.013 -20.695 35.612 0.00 0.00 SOLV ATOM 32765 H1 TIP3 8924 -17.451 -20.836 36.517 0.00 0.00 SOLV ATOM 32766 H2 TIP3 8924 -17.577 -21.276 35.085 0.00 0.00 SOLV ATOM 32767 OH2 TIP3 8925 -7.467 4.059 38.386 0.00 0.00 SOLV ATOM 32768 H1 TIP3 8925 -8.073 3.316 38.135 0.00 0.00 SOLV ATOM 32769 H2 TIP3 8925 -7.551 4.121 39.383 0.00 0.00 SOLV ATOM 32770 OH2 TIP3 8926 -2.746 -3.431 -5.096 0.00 0.00 SOLV ATOM 32771 H1 TIP3 8926 -1.921 -4.010 -5.107 0.00 0.00 SOLV ATOM 32772 H2 TIP3 8926 -2.501 -2.573 -4.809 0.00 0.00 SOLV ATOM 32773 OH2 TIP3 8927 -2.881 18.233 5.528 0.00 0.00 SOLV ATOM 32774 H1 TIP3 8927 -3.309 19.051 5.729 0.00 0.00 SOLV ATOM 32775 H2 TIP3 8927 -3.077 17.785 6.466 0.00 0.00 SOLV ATOM 32776 OH2 TIP3 8928 -4.720 26.400 -1.948 0.00 0.00 SOLV ATOM 32777 H1 TIP3 8928 -4.189 26.830 -2.599 0.00 0.00 SOLV ATOM 32778 H2 TIP3 8928 -5.087 25.690 -2.494 0.00 0.00 SOLV ATOM 32779 OH2 TIP3 8929 -8.573 -10.582 19.859 0.00 0.00 SOLV ATOM 32780 H1 TIP3 8929 -7.969 -11.046 20.483 0.00 0.00 SOLV ATOM 32781 H2 TIP3 8929 -7.917 -10.257 19.212 0.00 0.00 SOLV ATOM 32782 OH2 TIP3 8930 -5.117 7.092 35.312 0.00 0.00 SOLV ATOM 32783 H1 TIP3 8930 -5.742 7.706 34.870 0.00 0.00 SOLV ATOM 32784 H2 TIP3 8930 -5.764 6.634 35.909 0.00 0.00 SOLV ATOM 32785 OH2 TIP3 8931 11.523 11.197 -5.456 0.00 0.00 SOLV ATOM 32786 H1 TIP3 8931 11.082 11.965 -5.116 0.00 0.00 SOLV ATOM 32787 H2 TIP3 8931 10.783 10.500 -5.573 0.00 0.00 SOLV ATOM 32788 OH2 TIP3 8932 -3.274 -11.705 3.106 0.00 0.00 SOLV ATOM 32789 H1 TIP3 8932 -2.736 -12.144 2.459 0.00 0.00 SOLV ATOM 32790 H2 TIP3 8932 -2.776 -10.912 3.365 0.00 0.00 SOLV ATOM 32791 OH2 TIP3 8933 11.898 5.924 32.438 0.00 0.00 SOLV ATOM 32792 H1 TIP3 8933 11.721 5.139 33.042 0.00 0.00 SOLV ATOM 32793 H2 TIP3 8933 11.718 5.547 31.564 0.00 0.00 SOLV ATOM 32794 OH2 TIP3 8934 -15.441 -20.425 33.403 0.00 0.00 SOLV ATOM 32795 H1 TIP3 8934 -15.824 -20.476 34.280 0.00 0.00 SOLV ATOM 32796 H2 TIP3 8934 -16.158 -20.768 32.850 0.00 0.00 SOLV ATOM 32797 OH2 TIP3 8935 0.571 7.506 38.743 0.00 0.00 SOLV ATOM 32798 H1 TIP3 8935 0.136 8.181 38.189 0.00 0.00 SOLV ATOM 32799 H2 TIP3 8935 -0.033 6.750 38.719 0.00 0.00 SOLV ATOM 32800 OH2 TIP3 8936 15.230 10.770 7.133 0.00 0.00 SOLV ATOM 32801 H1 TIP3 8936 15.784 11.201 6.456 0.00 0.00 SOLV ATOM 32802 H2 TIP3 8936 15.871 10.052 7.432 0.00 0.00 SOLV ATOM 32803 OH2 TIP3 8937 -12.629 21.288 9.748 0.00 0.00 SOLV ATOM 32804 H1 TIP3 8937 -12.956 21.827 10.445 0.00 0.00 SOLV ATOM 32805 H2 TIP3 8937 -13.212 21.449 9.032 0.00 0.00 SOLV ATOM 32806 OH2 TIP3 8938 0.290 12.822 32.432 0.00 0.00 SOLV ATOM 32807 H1 TIP3 8938 1.054 12.510 31.870 0.00 0.00 SOLV ATOM 32808 H2 TIP3 8938 0.232 13.779 32.140 0.00 0.00 SOLV ATOM 32809 OH2 TIP3 8939 6.743 7.220 -3.672 0.00 0.00 SOLV ATOM 32810 H1 TIP3 8939 6.208 7.101 -4.454 0.00 0.00 SOLV ATOM 32811 H2 TIP3 8939 7.203 6.333 -3.499 0.00 0.00 SOLV ATOM 32812 OH2 TIP3 8940 -1.352 8.553 18.051 0.00 0.00 SOLV ATOM 32813 H1 TIP3 8940 -0.981 9.434 17.845 0.00 0.00 SOLV ATOM 32814 H2 TIP3 8940 -2.193 8.857 18.506 0.00 0.00 SOLV ATOM 32815 OH2 TIP3 8941 15.583 8.087 9.998 0.00 0.00 SOLV ATOM 32816 H1 TIP3 8941 15.686 8.976 10.407 0.00 0.00 SOLV ATOM 32817 H2 TIP3 8941 15.181 7.577 10.728 0.00 0.00 SOLV ATOM 32818 OH2 TIP3 8942 7.099 -23.375 40.712 0.00 0.00 SOLV ATOM 32819 H1 TIP3 8942 7.058 -22.454 40.317 0.00 0.00 SOLV ATOM 32820 H2 TIP3 8942 6.148 -23.633 40.602 0.00 0.00 SOLV ATOM 32821 OH2 TIP3 8943 -1.212 3.570 33.740 0.00 0.00 SOLV ATOM 32822 H1 TIP3 8943 -1.319 4.203 34.467 0.00 0.00 SOLV ATOM 32823 H2 TIP3 8943 -1.640 3.891 32.993 0.00 0.00 SOLV ATOM 32824 OH2 TIP3 8944 -4.059 -25.372 38.422 0.00 0.00 SOLV ATOM 32825 H1 TIP3 8944 -3.795 -25.042 39.299 0.00 0.00 SOLV ATOM 32826 H2 TIP3 8944 -4.942 -25.423 38.349 0.00 0.00 SOLV ATOM 32827 OH2 TIP3 8945 4.968 -26.151 30.921 0.00 0.00 SOLV ATOM 32828 H1 TIP3 8945 4.738 -25.289 31.187 0.00 0.00 SOLV ATOM 32829 H2 TIP3 8945 5.297 -26.103 30.008 0.00 0.00 SOLV ATOM 32830 OH2 TIP3 8946 18.011 10.399 19.568 0.00 0.00 SOLV ATOM 32831 H1 TIP3 8946 17.968 9.574 19.970 0.00 0.00 SOLV ATOM 32832 H2 TIP3 8946 18.165 10.977 20.323 0.00 0.00 SOLV ATOM 32833 OH2 TIP3 8947 0.559 13.403 35.097 0.00 0.00 SOLV ATOM 32834 H1 TIP3 8947 -0.301 13.621 35.467 0.00 0.00 SOLV ATOM 32835 H2 TIP3 8947 0.260 12.988 34.255 0.00 0.00 SOLV ATOM 32836 OH2 TIP3 8948 -8.743 2.098 37.173 0.00 0.00 SOLV ATOM 32837 H1 TIP3 8948 -9.133 1.187 37.128 0.00 0.00 SOLV ATOM 32838 H2 TIP3 8948 -7.859 1.917 36.814 0.00 0.00 SOLV ATOM 32839 OH2 TIP3 8949 -2.762 17.603 18.314 0.00 0.00 SOLV ATOM 32840 H1 TIP3 8949 -2.500 17.187 19.065 0.00 0.00 SOLV ATOM 32841 H2 TIP3 8949 -2.484 18.510 18.434 0.00 0.00 SOLV ATOM 32842 OH2 TIP3 8950 15.811 13.113 21.608 0.00 0.00 SOLV ATOM 32843 H1 TIP3 8950 15.392 12.227 21.754 0.00 0.00 SOLV ATOM 32844 H2 TIP3 8950 15.154 13.760 21.953 0.00 0.00 SOLV ATOM 32845 OH2 TIP3 8951 -1.704 23.835 -0.964 0.00 0.00 SOLV ATOM 32846 H1 TIP3 8951 -1.910 23.541 -1.849 0.00 0.00 SOLV ATOM 32847 H2 TIP3 8951 -0.734 24.126 -1.065 0.00 0.00 SOLV ATOM 32848 OH2 TIP3 8952 -6.624 15.468 15.659 0.00 0.00 SOLV ATOM 32849 H1 TIP3 8952 -7.528 15.010 15.436 0.00 0.00 SOLV ATOM 32850 H2 TIP3 8952 -6.737 15.705 16.521 0.00 0.00 SOLV ATOM 32851 OH2 TIP3 8953 -21.888 -1.589 18.118 0.00 0.00 SOLV ATOM 32852 H1 TIP3 8953 -21.355 -2.321 17.688 0.00 0.00 SOLV ATOM 32853 H2 TIP3 8953 -22.582 -1.387 17.482 0.00 0.00 SOLV ATOM 32854 OH2 TIP3 8954 3.375 6.656 37.061 0.00 0.00 SOLV ATOM 32855 H1 TIP3 8954 4.154 6.914 36.693 0.00 0.00 SOLV ATOM 32856 H2 TIP3 8954 3.122 7.429 37.557 0.00 0.00 SOLV ATOM 32857 OH2 TIP3 8955 -4.473 2.212 21.539 0.00 0.00 SOLV ATOM 32858 H1 TIP3 8955 -4.937 1.672 20.818 0.00 0.00 SOLV ATOM 32859 H2 TIP3 8955 -5.191 2.222 22.162 0.00 0.00 SOLV ATOM 32860 OH2 TIP3 8956 10.316 1.740 6.289 0.00 0.00 SOLV ATOM 32861 H1 TIP3 8956 10.731 2.574 6.149 0.00 0.00 SOLV ATOM 32862 H2 TIP3 8956 9.422 1.916 6.205 0.00 0.00 SOLV ATOM 32863 OH2 TIP3 8957 3.455 17.397 -9.249 0.00 0.00 SOLV ATOM 32864 H1 TIP3 8957 2.838 16.811 -8.865 0.00 0.00 SOLV ATOM 32865 H2 TIP3 8957 2.850 18.029 -9.638 0.00 0.00 SOLV ATOM 32866 OH2 TIP3 8958 18.408 14.841 20.209 0.00 0.00 SOLV ATOM 32867 H1 TIP3 8958 18.175 15.465 20.900 0.00 0.00 SOLV ATOM 32868 H2 TIP3 8958 17.572 14.608 19.755 0.00 0.00 SOLV ATOM 32869 OH2 TIP3 8959 17.661 18.535 -17.495 0.00 0.00 SOLV ATOM 32870 H1 TIP3 8959 16.971 18.895 -18.117 0.00 0.00 SOLV ATOM 32871 H2 TIP3 8959 17.132 18.450 -16.704 0.00 0.00 SOLV ATOM 32872 OH2 TIP3 8960 26.414 10.539 -27.420 0.00 0.00 SOLV ATOM 32873 H1 TIP3 8960 26.682 9.648 -27.648 0.00 0.00 SOLV ATOM 32874 H2 TIP3 8960 27.006 10.781 -26.679 0.00 0.00 SOLV ATOM 32875 OH2 TIP3 8961 -20.182 20.290 2.296 0.00 0.00 SOLV ATOM 32876 H1 TIP3 8961 -20.641 19.842 3.040 0.00 0.00 SOLV ATOM 32877 H2 TIP3 8961 -20.429 19.719 1.566 0.00 0.00 SOLV ATOM 32878 OH2 TIP3 8962 0.366 27.443 -10.461 0.00 0.00 SOLV ATOM 32879 H1 TIP3 8962 -0.497 27.301 -10.182 0.00 0.00 SOLV ATOM 32880 H2 TIP3 8962 0.243 27.609 -11.393 0.00 0.00 SOLV ATOM 32881 OH2 TIP3 8963 -4.881 -2.031 -19.150 0.00 0.00 SOLV ATOM 32882 H1 TIP3 8963 -5.178 -1.118 -19.469 0.00 0.00 SOLV ATOM 32883 H2 TIP3 8963 -5.739 -2.513 -19.065 0.00 0.00 SOLV ATOM 32884 OH2 TIP3 8964 -14.241 13.589 10.351 0.00 0.00 SOLV ATOM 32885 H1 TIP3 8964 -14.669 14.406 10.386 0.00 0.00 SOLV ATOM 32886 H2 TIP3 8964 -14.975 12.998 10.625 0.00 0.00 SOLV ATOM 32887 OH2 TIP3 8965 -0.741 19.185 -30.711 0.00 0.00 SOLV ATOM 32888 H1 TIP3 8965 -1.117 19.142 -29.836 0.00 0.00 SOLV ATOM 32889 H2 TIP3 8965 -1.001 20.057 -30.977 0.00 0.00 SOLV ATOM 32890 OH2 TIP3 8966 -8.996 -10.750 -31.356 0.00 0.00 SOLV ATOM 32891 H1 TIP3 8966 -8.804 -11.663 -31.122 0.00 0.00 SOLV ATOM 32892 H2 TIP3 8966 -8.129 -10.396 -31.656 0.00 0.00 SOLV ATOM 32893 OH2 TIP3 8967 9.031 15.318 -8.165 0.00 0.00 SOLV ATOM 32894 H1 TIP3 8967 8.610 14.638 -7.737 0.00 0.00 SOLV ATOM 32895 H2 TIP3 8967 8.759 15.197 -9.079 0.00 0.00 SOLV ATOM 32896 OH2 TIP3 8968 -2.372 23.868 5.215 0.00 0.00 SOLV ATOM 32897 H1 TIP3 8968 -2.703 24.259 5.996 0.00 0.00 SOLV ATOM 32898 H2 TIP3 8968 -1.914 24.620 4.779 0.00 0.00 SOLV ATOM 32899 OH2 TIP3 8969 25.096 -6.197 -39.610 0.00 0.00 SOLV ATOM 32900 H1 TIP3 8969 24.210 -6.445 -39.325 0.00 0.00 SOLV ATOM 32901 H2 TIP3 8969 25.043 -5.254 -39.878 0.00 0.00 SOLV ATOM 32902 OH2 TIP3 8970 25.125 16.200 -24.286 0.00 0.00 SOLV ATOM 32903 H1 TIP3 8970 24.753 16.446 -25.168 0.00 0.00 SOLV ATOM 32904 H2 TIP3 8970 25.616 15.351 -24.519 0.00 0.00 SOLV ATOM 32905 OH2 TIP3 8971 9.046 17.039 -17.486 0.00 0.00 SOLV ATOM 32906 H1 TIP3 8971 9.882 17.447 -17.285 0.00 0.00 SOLV ATOM 32907 H2 TIP3 8971 9.250 16.088 -17.238 0.00 0.00 SOLV ATOM 32908 OH2 TIP3 8972 -17.295 -9.278 2.881 0.00 0.00 SOLV ATOM 32909 H1 TIP3 8972 -16.404 -9.575 2.555 0.00 0.00 SOLV ATOM 32910 H2 TIP3 8972 -17.121 -8.631 3.609 0.00 0.00 SOLV ATOM 32911 OH2 TIP3 8973 19.208 10.294 -39.001 0.00 0.00 SOLV ATOM 32912 H1 TIP3 8973 18.258 10.431 -39.178 0.00 0.00 SOLV ATOM 32913 H2 TIP3 8973 19.128 9.715 -38.189 0.00 0.00 SOLV ATOM 32914 OH2 TIP3 8974 -13.183 27.346 -13.872 0.00 0.00 SOLV ATOM 32915 H1 TIP3 8974 -13.104 26.648 -14.505 0.00 0.00 SOLV ATOM 32916 H2 TIP3 8974 -13.775 28.048 -14.338 0.00 0.00 SOLV ATOM 32917 OH2 TIP3 8975 18.893 12.766 -43.623 0.00 0.00 SOLV ATOM 32918 H1 TIP3 8975 18.370 13.193 -44.261 0.00 0.00 SOLV ATOM 32919 H2 TIP3 8975 18.717 11.807 -43.840 0.00 0.00 SOLV ATOM 32920 OH2 TIP3 8976 20.301 18.311 -37.657 0.00 0.00 SOLV ATOM 32921 H1 TIP3 8976 20.234 18.245 -38.597 0.00 0.00 SOLV ATOM 32922 H2 TIP3 8976 21.132 17.938 -37.491 0.00 0.00 SOLV ATOM 32923 OH2 TIP3 8977 37.484 8.047 -17.694 0.00 0.00 SOLV ATOM 32924 H1 TIP3 8977 38.075 7.873 -18.469 0.00 0.00 SOLV ATOM 32925 H2 TIP3 8977 38.088 8.201 -16.925 0.00 0.00 SOLV ATOM 32926 OH2 TIP3 8978 25.828 -9.412 -28.257 0.00 0.00 SOLV ATOM 32927 H1 TIP3 8978 26.717 -9.685 -28.152 0.00 0.00 SOLV ATOM 32928 H2 TIP3 8978 25.799 -8.567 -27.814 0.00 0.00 SOLV ATOM 32929 OH2 TIP3 8979 27.619 20.487 -35.655 0.00 0.00 SOLV ATOM 32930 H1 TIP3 8979 27.495 19.572 -35.432 0.00 0.00 SOLV ATOM 32931 H2 TIP3 8979 28.159 20.498 -36.460 0.00 0.00 SOLV ATOM 32932 OH2 TIP3 8980 9.529 -3.749 -10.314 0.00 0.00 SOLV ATOM 32933 H1 TIP3 8980 9.266 -4.474 -10.976 0.00 0.00 SOLV ATOM 32934 H2 TIP3 8980 9.659 -2.981 -10.875 0.00 0.00 SOLV ATOM 32935 OH2 TIP3 8981 -14.281 -8.803 -22.378 0.00 0.00 SOLV ATOM 32936 H1 TIP3 8981 -13.494 -8.842 -21.804 0.00 0.00 SOLV ATOM 32937 H2 TIP3 8981 -15.021 -9.036 -21.749 0.00 0.00 SOLV ATOM 32938 OH2 TIP3 8982 -18.739 -0.855 -13.946 0.00 0.00 SOLV ATOM 32939 H1 TIP3 8982 -18.657 -1.601 -13.326 0.00 0.00 SOLV ATOM 32940 H2 TIP3 8982 -18.676 -1.325 -14.829 0.00 0.00 SOLV ATOM 32941 OH2 TIP3 8983 -22.682 5.141 -7.056 0.00 0.00 SOLV ATOM 32942 H1 TIP3 8983 -23.440 5.805 -6.993 0.00 0.00 SOLV ATOM 32943 H2 TIP3 8983 -23.010 4.338 -6.595 0.00 0.00 SOLV ATOM 32944 OH2 TIP3 8984 -14.191 4.048 -23.489 0.00 0.00 SOLV ATOM 32945 H1 TIP3 8984 -13.494 3.912 -22.787 0.00 0.00 SOLV ATOM 32946 H2 TIP3 8984 -14.306 3.111 -23.748 0.00 0.00 SOLV ATOM 32947 OH2 TIP3 8985 -7.451 -6.657 2.011 0.00 0.00 SOLV ATOM 32948 H1 TIP3 8985 -6.532 -6.351 2.218 0.00 0.00 SOLV ATOM 32949 H2 TIP3 8985 -7.336 -7.403 1.449 0.00 0.00 SOLV ATOM 32950 OH2 TIP3 8986 -14.764 -8.677 -8.160 0.00 0.00 SOLV ATOM 32951 H1 TIP3 8986 -14.076 -9.398 -7.973 0.00 0.00 SOLV ATOM 32952 H2 TIP3 8986 -15.615 -9.183 -8.088 0.00 0.00 SOLV ATOM 32953 OH2 TIP3 8987 -5.209 2.915 -32.352 0.00 0.00 SOLV ATOM 32954 H1 TIP3 8987 -4.841 2.869 -31.404 0.00 0.00 SOLV ATOM 32955 H2 TIP3 8987 -5.919 2.325 -32.231 0.00 0.00 SOLV ATOM 32956 OH2 TIP3 8988 1.106 13.192 -38.849 0.00 0.00 SOLV ATOM 32957 H1 TIP3 8988 1.405 12.477 -38.310 0.00 0.00 SOLV ATOM 32958 H2 TIP3 8988 0.180 12.963 -39.090 0.00 0.00 SOLV ATOM 32959 OH2 TIP3 8989 6.314 24.491 -31.415 0.00 0.00 SOLV ATOM 32960 H1 TIP3 8989 6.130 24.349 -32.368 0.00 0.00 SOLV ATOM 32961 H2 TIP3 8989 7.213 24.918 -31.430 0.00 0.00 SOLV ATOM 32962 OH2 TIP3 8990 -6.192 -5.061 -36.440 0.00 0.00 SOLV ATOM 32963 H1 TIP3 8990 -6.705 -4.657 -35.688 0.00 0.00 SOLV ATOM 32964 H2 TIP3 8990 -6.818 -5.725 -36.830 0.00 0.00 SOLV ATOM 32965 OH2 TIP3 8991 -1.563 -14.055 -19.670 0.00 0.00 SOLV ATOM 32966 H1 TIP3 8991 -1.544 -13.587 -20.473 0.00 0.00 SOLV ATOM 32967 H2 TIP3 8991 -2.206 -14.733 -19.920 0.00 0.00 SOLV ATOM 32968 OH2 TIP3 8992 -12.611 -8.125 3.319 0.00 0.00 SOLV ATOM 32969 H1 TIP3 8992 -12.149 -8.710 3.856 0.00 0.00 SOLV ATOM 32970 H2 TIP3 8992 -12.148 -7.273 3.375 0.00 0.00 SOLV ATOM 32971 OH2 TIP3 8993 4.424 18.454 -33.234 0.00 0.00 SOLV ATOM 32972 H1 TIP3 8993 4.810 18.357 -34.101 0.00 0.00 SOLV ATOM 32973 H2 TIP3 8993 4.569 17.555 -32.887 0.00 0.00 SOLV ATOM 32974 OH2 TIP3 8994 -6.867 24.251 1.941 0.00 0.00 SOLV ATOM 32975 H1 TIP3 8994 -7.191 23.687 1.235 0.00 0.00 SOLV ATOM 32976 H2 TIP3 8994 -6.227 24.752 1.410 0.00 0.00 SOLV ATOM 32977 OH2 TIP3 8995 11.686 -14.166 17.016 0.00 0.00 SOLV ATOM 32978 H1 TIP3 8995 11.691 -13.777 16.103 0.00 0.00 SOLV ATOM 32979 H2 TIP3 8995 11.676 -15.113 16.910 0.00 0.00 SOLV ATOM 32980 OH2 TIP3 8996 -2.226 1.086 -38.427 0.00 0.00 SOLV ATOM 32981 H1 TIP3 8996 -2.331 0.226 -38.017 0.00 0.00 SOLV ATOM 32982 H2 TIP3 8996 -2.806 0.888 -39.161 0.00 0.00 SOLV ATOM 32983 OH2 TIP3 8997 -13.502 -10.969 -7.235 0.00 0.00 SOLV ATOM 32984 H1 TIP3 8997 -14.222 -11.450 -7.828 0.00 0.00 SOLV ATOM 32985 H2 TIP3 8997 -12.874 -11.664 -7.087 0.00 0.00 SOLV ATOM 32986 OH2 TIP3 8998 11.342 -14.186 -20.956 0.00 0.00 SOLV ATOM 32987 H1 TIP3 8998 12.166 -13.989 -21.322 0.00 0.00 SOLV ATOM 32988 H2 TIP3 8998 11.581 -14.449 -20.095 0.00 0.00 SOLV ATOM 32989 OH2 TIP3 8999 -0.077 10.654 22.231 0.00 0.00 SOLV ATOM 32990 H1 TIP3 8999 -0.419 10.214 22.982 0.00 0.00 SOLV ATOM 32991 H2 TIP3 8999 -0.099 11.548 22.556 0.00 0.00 SOLV ATOM 32992 OH2 TIP3 9000 15.503 -5.169 -6.608 0.00 0.00 SOLV ATOM 32993 H1 TIP3 9000 15.361 -4.265 -6.908 0.00 0.00 SOLV ATOM 32994 H2 TIP3 9000 16.507 -5.194 -6.511 0.00 0.00 SOLV ATOM 32995 OH2 TIP3 9001 29.465 -0.888 -13.618 0.00 0.00 SOLV ATOM 32996 H1 TIP3 9001 30.045 -0.843 -12.780 0.00 0.00 SOLV ATOM 32997 H2 TIP3 9001 30.069 -0.870 -14.321 0.00 0.00 SOLV ATOM 32998 OH2 TIP3 9002 21.392 13.744 -12.589 0.00 0.00 SOLV ATOM 32999 H1 TIP3 9002 21.578 12.934 -13.085 0.00 0.00 SOLV ATOM 33000 H2 TIP3 9002 22.016 14.367 -12.932 0.00 0.00 SOLV ATOM 33001 OH2 TIP3 9003 11.237 11.223 -8.705 0.00 0.00 SOLV ATOM 33002 H1 TIP3 9003 11.393 12.131 -8.893 0.00 0.00 SOLV ATOM 33003 H2 TIP3 9003 10.326 11.242 -8.414 0.00 0.00 SOLV ATOM 33004 OH2 TIP3 9004 14.772 8.286 -11.256 0.00 0.00 SOLV ATOM 33005 H1 TIP3 9004 14.022 8.866 -10.978 0.00 0.00 SOLV ATOM 33006 H2 TIP3 9004 15.216 8.814 -11.997 0.00 0.00 SOLV ATOM 33007 OH2 TIP3 9005 14.521 14.103 25.769 0.00 0.00 SOLV ATOM 33008 H1 TIP3 9005 14.583 14.908 26.229 0.00 0.00 SOLV ATOM 33009 H2 TIP3 9005 14.895 13.503 26.399 0.00 0.00 SOLV ATOM 33010 OH2 TIP3 9006 -30.864 9.073 21.295 0.00 0.00 SOLV ATOM 33011 H1 TIP3 9006 -30.615 8.665 22.150 0.00 0.00 SOLV ATOM 33012 H2 TIP3 9006 -31.649 8.652 21.100 0.00 0.00 SOLV ATOM 33013 OH2 TIP3 9007 -14.641 -9.728 -2.685 0.00 0.00 SOLV ATOM 33014 H1 TIP3 9007 -14.195 -10.555 -2.894 0.00 0.00 SOLV ATOM 33015 H2 TIP3 9007 -14.078 -9.322 -1.961 0.00 0.00 SOLV ATOM 33016 OH2 TIP3 9008 -2.412 -25.216 40.911 0.00 0.00 SOLV ATOM 33017 H1 TIP3 9008 -2.436 -24.256 41.247 0.00 0.00 SOLV ATOM 33018 H2 TIP3 9008 -1.493 -25.410 41.078 0.00 0.00 SOLV ATOM 33019 OH2 TIP3 9009 4.321 -34.515 19.965 0.00 0.00 SOLV ATOM 33020 H1 TIP3 9009 4.464 -34.021 19.164 0.00 0.00 SOLV ATOM 33021 H2 TIP3 9009 3.476 -34.253 20.300 0.00 0.00 SOLV ATOM 33022 OH2 TIP3 9010 -4.560 22.145 4.845 0.00 0.00 SOLV ATOM 33023 H1 TIP3 9010 -5.170 22.854 4.715 0.00 0.00 SOLV ATOM 33024 H2 TIP3 9010 -3.793 22.746 5.259 0.00 0.00 SOLV ATOM 33025 OH2 TIP3 9011 -10.495 -0.396 38.665 0.00 0.00 SOLV ATOM 33026 H1 TIP3 9011 -10.296 -0.259 37.736 0.00 0.00 SOLV ATOM 33027 H2 TIP3 9011 -10.584 -1.368 38.729 0.00 0.00 SOLV ATOM 33028 OH2 TIP3 9012 -13.333 -4.408 24.901 0.00 0.00 SOLV ATOM 33029 H1 TIP3 9012 -12.570 -4.109 24.365 0.00 0.00 SOLV ATOM 33030 H2 TIP3 9012 -13.787 -3.554 25.122 0.00 0.00 SOLV ATOM 33031 OH2 TIP3 9013 -23.122 12.279 10.376 0.00 0.00 SOLV ATOM 33032 H1 TIP3 9013 -23.580 13.061 10.142 0.00 0.00 SOLV ATOM 33033 H2 TIP3 9013 -23.616 11.560 9.985 0.00 0.00 SOLV ATOM 33034 OH2 TIP3 9014 -19.644 -28.644 22.306 0.00 0.00 SOLV ATOM 33035 H1 TIP3 9014 -20.024 -29.565 22.328 0.00 0.00 SOLV ATOM 33036 H2 TIP3 9014 -19.890 -28.321 23.142 0.00 0.00 SOLV ATOM 33037 OH2 TIP3 9015 11.153 -22.022 29.271 0.00 0.00 SOLV ATOM 33038 H1 TIP3 9015 12.032 -22.225 28.957 0.00 0.00 SOLV ATOM 33039 H2 TIP3 9015 11.180 -22.329 30.188 0.00 0.00 SOLV ATOM 33040 OH2 TIP3 9016 -7.972 -32.293 12.385 0.00 0.00 SOLV ATOM 33041 H1 TIP3 9016 -8.512 -32.000 13.112 0.00 0.00 SOLV ATOM 33042 H2 TIP3 9016 -7.464 -32.972 12.869 0.00 0.00 SOLV ATOM 33043 OH2 TIP3 9017 8.278 -20.024 39.660 0.00 0.00 SOLV ATOM 33044 H1 TIP3 9017 7.992 -19.063 39.658 0.00 0.00 SOLV ATOM 33045 H2 TIP3 9017 7.507 -20.415 40.144 0.00 0.00 SOLV ATOM 33046 OH2 TIP3 9018 3.025 13.600 33.985 0.00 0.00 SOLV ATOM 33047 H1 TIP3 9018 3.185 12.889 33.272 0.00 0.00 SOLV ATOM 33048 H2 TIP3 9018 2.105 13.379 34.335 0.00 0.00 SOLV ATOM 33049 OH2 TIP3 9019 23.283 7.945 18.244 0.00 0.00 SOLV ATOM 33050 H1 TIP3 9019 23.876 8.613 18.293 0.00 0.00 SOLV ATOM 33051 H2 TIP3 9019 23.175 7.682 19.178 0.00 0.00 SOLV ATOM 33052 OH2 TIP3 9020 5.366 -5.237 7.372 0.00 0.00 SOLV ATOM 33053 H1 TIP3 9020 5.297 -6.004 7.939 0.00 0.00 SOLV ATOM 33054 H2 TIP3 9020 6.009 -4.640 7.876 0.00 0.00 SOLV ATOM 33055 OH2 TIP3 9021 -5.882 -21.237 11.093 0.00 0.00 SOLV ATOM 33056 H1 TIP3 9021 -5.745 -20.389 11.561 0.00 0.00 SOLV ATOM 33057 H2 TIP3 9021 -6.819 -21.426 11.302 0.00 0.00 SOLV ATOM 33058 OH2 TIP3 9022 -2.179 -35.261 20.770 0.00 0.00 SOLV ATOM 33059 H1 TIP3 9022 -1.452 -34.805 20.327 0.00 0.00 SOLV ATOM 33060 H2 TIP3 9022 -1.776 -36.175 20.879 0.00 0.00 SOLV ATOM 33061 OH2 TIP3 9023 16.673 2.880 13.415 0.00 0.00 SOLV ATOM 33062 H1 TIP3 9023 17.428 2.563 12.801 0.00 0.00 SOLV ATOM 33063 H2 TIP3 9023 17.170 3.202 14.214 0.00 0.00 SOLV ATOM 33064 OH2 TIP3 9024 11.075 1.820 30.675 0.00 0.00 SOLV ATOM 33065 H1 TIP3 9024 11.773 2.219 30.146 0.00 0.00 SOLV ATOM 33066 H2 TIP3 9024 10.653 1.376 29.917 0.00 0.00 SOLV ATOM 33067 OH2 TIP3 9025 13.303 13.976 0.196 0.00 0.00 SOLV ATOM 33068 H1 TIP3 9025 12.735 13.337 0.687 0.00 0.00 SOLV ATOM 33069 H2 TIP3 9025 13.519 13.492 -0.594 0.00 0.00 SOLV ATOM 33070 OH2 TIP3 9026 -3.943 -23.319 44.477 0.00 0.00 SOLV ATOM 33071 H1 TIP3 9026 -3.727 -23.254 45.403 0.00 0.00 SOLV ATOM 33072 H2 TIP3 9026 -3.283 -22.855 43.971 0.00 0.00 SOLV ATOM 33073 OH2 TIP3 9027 23.432 6.282 14.505 0.00 0.00 SOLV ATOM 33074 H1 TIP3 9027 22.679 5.863 14.883 0.00 0.00 SOLV ATOM 33075 H2 TIP3 9027 23.106 7.059 14.153 0.00 0.00 SOLV ATOM 33076 OH2 TIP3 9028 11.570 -19.018 35.874 0.00 0.00 SOLV ATOM 33077 H1 TIP3 9028 12.223 -18.985 36.576 0.00 0.00 SOLV ATOM 33078 H2 TIP3 9028 10.776 -19.446 36.257 0.00 0.00 SOLV ATOM 33079 OH2 TIP3 9029 5.785 14.646 18.041 0.00 0.00 SOLV ATOM 33080 H1 TIP3 9029 6.629 15.082 17.924 0.00 0.00 SOLV ATOM 33081 H2 TIP3 9029 5.683 14.114 17.214 0.00 0.00 SOLV ATOM 33082 OH2 TIP3 9030 -18.491 -3.362 -8.930 0.00 0.00 SOLV ATOM 33083 H1 TIP3 9030 -18.720 -3.631 -9.818 0.00 0.00 SOLV ATOM 33084 H2 TIP3 9030 -18.040 -4.182 -8.565 0.00 0.00 SOLV ATOM 33085 OH2 TIP3 9031 -9.343 23.888 -24.068 0.00 0.00 SOLV ATOM 33086 H1 TIP3 9031 -8.894 23.759 -23.199 0.00 0.00 SOLV ATOM 33087 H2 TIP3 9031 -8.581 24.253 -24.617 0.00 0.00 SOLV ATOM 33088 OH2 TIP3 9032 -11.699 25.082 -4.038 0.00 0.00 SOLV ATOM 33089 H1 TIP3 9032 -10.961 25.100 -4.566 0.00 0.00 SOLV ATOM 33090 H2 TIP3 9032 -12.076 25.958 -4.166 0.00 0.00 SOLV ATOM 33091 OH2 TIP3 9033 -6.652 -2.422 -22.419 0.00 0.00 SOLV ATOM 33092 H1 TIP3 9033 -6.678 -1.914 -21.590 0.00 0.00 SOLV ATOM 33093 H2 TIP3 9033 -7.359 -3.047 -22.252 0.00 0.00 SOLV ATOM 33094 OH2 TIP3 9034 4.998 16.823 -17.098 0.00 0.00 SOLV ATOM 33095 H1 TIP3 9034 5.556 15.965 -17.079 0.00 0.00 SOLV ATOM 33096 H2 TIP3 9034 5.486 17.360 -17.785 0.00 0.00 SOLV ATOM 33097 OH2 TIP3 9035 8.530 -3.301 -45.670 0.00 0.00 SOLV ATOM 33098 H1 TIP3 9035 7.778 -3.852 -45.499 0.00 0.00 SOLV ATOM 33099 H2 TIP3 9035 8.922 -3.232 -44.837 0.00 0.00 SOLV ATOM 33100 OH2 TIP3 9036 -1.483 12.973 -34.384 0.00 0.00 SOLV ATOM 33101 H1 TIP3 9036 -0.641 13.105 -34.808 0.00 0.00 SOLV ATOM 33102 H2 TIP3 9036 -1.946 13.826 -34.641 0.00 0.00 SOLV ATOM 33103 OH2 TIP3 9037 6.509 14.784 -17.857 0.00 0.00 SOLV ATOM 33104 H1 TIP3 9037 6.982 14.162 -17.319 0.00 0.00 SOLV ATOM 33105 H2 TIP3 9037 6.920 14.744 -18.717 0.00 0.00 SOLV ATOM 33106 OH2 TIP3 9038 -27.843 7.299 21.223 0.00 0.00 SOLV ATOM 33107 H1 TIP3 9038 -27.520 6.689 20.548 0.00 0.00 SOLV ATOM 33108 H2 TIP3 9038 -28.473 6.704 21.631 0.00 0.00 SOLV ATOM 33109 OH2 TIP3 9039 7.921 -8.698 -12.211 0.00 0.00 SOLV ATOM 33110 H1 TIP3 9039 8.193 -9.584 -12.546 0.00 0.00 SOLV ATOM 33111 H2 TIP3 9039 8.739 -8.298 -11.958 0.00 0.00 SOLV ATOM 33112 OH2 TIP3 9040 27.344 20.563 -31.041 0.00 0.00 SOLV ATOM 33113 H1 TIP3 9040 27.977 20.966 -31.624 0.00 0.00 SOLV ATOM 33114 H2 TIP3 9040 27.085 21.250 -30.408 0.00 0.00 SOLV END