REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:10-Jun-2010 13:35:06 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 12.369 -5.667 5.579 1.00 23.22 ATOM 2 CB MET 1 14.470 -5.229 5.470 1.00 62.24 ATOM 3 HB1 MET 1 14.626 -4.254 5.916 1.00 38.60 ATOM 4 HB2 MET 1 15.214 -5.365 4.696 1.00 44.25 ATOM 5 CG MET 1 14.697 -6.261 6.563 1.00 14.50 ATOM 6 HG1 MET 1 13.805 -6.336 7.172 1.00 38.60 ATOM 7 HG2 MET 1 15.515 -5.926 7.184 1.00 54.13 ATOM 8 SD MET 1 15.084 -7.895 5.907 1.00 5.40 ATOM 9 CE MET 1 16.864 -7.927 6.109 1.00 51.35 ATOM 10 HE1 MET 1 17.305 -7.119 5.544 1.00 4.15 ATOM 11 HE2 MET 1 17.250 -8.870 5.750 1.00 34.04 ATOM 12 HE3 MET 1 17.110 -7.812 7.154 1.00 61.12 ATOM 13 C MET 1 12.626 -3.897 4.429 1.00 43.32 ATOM 14 O MET 1 12.409 -3.632 3.247 1.00 31.51 ATOM 15 N MET 1 13.068 -6.204 3.709 1.00 62.41 ATOM 16 HT1 MET 1 13.828 -5.963 3.036 1.00 38.60 ATOM 17 HT2 MET 1 12.155 -6.146 3.206 1.00 38.60 ATOM 18 HT3 MET 1 13.193 -7.181 4.020 1.00 38.60 ATOM 19 CA MET 1 13.074 -5.293 4.848 1.00 71.53 ATOM 20 N GLY 2 12.490 -3.005 5.406 1.00 22.51 ATOM 21 HN GLY 2 12.675 -3.262 6.337 1.00 38.60 ATOM 22 CA GLY 2 12.069 -1.647 5.118 1.00 73.11 ATOM 23 HA1 GLY 2 12.100 -1.451 4.053 1.00 38.60 ATOM 24 HA2 GLY 2 12.754 -0.970 5.607 1.00 52.30 ATOM 25 C GLY 2 10.670 -1.354 5.624 1.00 60.43 ATOM 26 O GLY 2 9.955 -2.260 6.053 1.00 72.43 ATOM 27 N HIS 3 10.278 -0.085 5.575 1.00 24.04 ATOM 28 HN HIS 3 10.900 0.601 5.232 1.00 38.60 ATOM 29 CA HIS 3 8.956 0.325 6.034 1.00 73.04 ATOM 30 HA HIS 3 8.250 -0.460 5.781 1.00 41.02 ATOM 31 CB HIS 3 8.954 0.511 7.551 1.00 14.41 ATOM 32 HB1 HIS 3 9.232 -0.422 8.018 1.00 38.60 ATOM 33 HB2 HIS 3 7.961 0.787 7.878 1.00 74.41 ATOM 34 CG HIS 3 9.907 1.564 8.027 1.00 63.24 ATOM 35 ND1 HIS 3 9.509 2.834 8.385 1.00 54.31 ATOM 36 HD1 HIS 3 8.589 3.172 8.366 1.00 5.43 ATOM 37 CD2 HIS 3 11.249 1.528 8.204 1.00 52.14 ATOM 38 HD2 HIS 3 11.897 0.683 8.021 1.00 62.51 ATOM 39 CE1 HIS 3 10.564 3.535 8.760 1.00 52.11 ATOM 40 HE1 HIS 3 10.554 4.562 9.093 1.00 41.24 ATOM 41 NE2 HIS 3 11.632 2.765 8.660 1.00 44.33 ATOM 42 HE2 HIS 3 12.557 3.062 8.791 1.00 38.60 ATOM 43 C HIS 3 8.520 1.618 5.350 1.00 64.53 ATOM 44 O HIS 3 9.289 2.576 5.264 1.00 60.23 ATOM 45 N HIS 4 7.283 1.637 4.864 1.00 62.20 ATOM 46 HN HIS 4 6.708 0.842 4.954 1.00 38.60 ATOM 47 CA HIS 4 6.746 2.812 4.187 1.00 33.24 ATOM 48 HA HIS 4 7.463 3.622 4.245 1.00 23.42 ATOM 49 CB HIS 4 6.486 2.503 2.713 1.00 41.04 ATOM 50 HB1 HIS 4 7.382 2.081 2.280 1.00 38.60 ATOM 51 HB2 HIS 4 6.242 3.418 2.195 1.00 64.23 ATOM 52 CG HIS 4 5.364 1.536 2.492 1.00 61.14 ATOM 53 ND1 HIS 4 4.035 1.894 2.574 1.00 31.41 ATOM 54 HD1 HIS 4 3.692 2.789 2.762 1.00 61.31 ATOM 55 CD2 HIS 4 5.379 0.217 2.188 1.00 61.03 ATOM 56 HD2 HIS 4 6.257 -0.398 2.046 1.00 1.02 ATOM 57 CE1 HIS 4 3.281 0.836 2.332 1.00 11.23 ATOM 58 HE1 HIS 4 2.201 0.817 2.328 1.00 64.20 ATOM 59 NE2 HIS 4 4.072 -0.194 2.094 1.00 22.23 ATOM 60 HE2 HIS 4 3.774 -1.120 1.977 1.00 38.60 ATOM 61 C HIS 4 5.457 3.281 4.855 1.00 11.55 ATOM 62 O HIS 4 5.005 2.693 5.838 1.00 33.21 ATOM 63 N HIS 5 4.870 4.346 4.316 1.00 23.45 ATOM 64 HN HIS 5 5.292 4.799 3.548 1.00 38.60 ATOM 65 CA HIS 5 3.633 4.894 4.861 1.00 44.42 ATOM 66 HA HIS 5 3.007 4.074 5.190 1.00 25.30 ATOM 67 CB HIS 5 3.934 5.797 6.058 1.00 43.14 ATOM 68 HB1 HIS 5 4.443 5.217 6.814 1.00 38.60 ATOM 69 HB2 HIS 5 3.009 6.174 6.469 1.00 41.33 ATOM 70 CG HIS 5 4.802 6.970 5.720 1.00 52.43 ATOM 71 ND1 HIS 5 4.304 8.240 5.515 1.00 3.02 ATOM 72 HD1 HIS 5 3.361 8.500 5.566 1.00 3.11 ATOM 73 CD2 HIS 5 6.142 7.062 5.552 1.00 31.54 ATOM 74 HD2 HIS 5 6.855 6.254 5.638 1.00 51.33 ATOM 75 CE1 HIS 5 5.301 9.061 5.235 1.00 14.00 ATOM 76 HE1 HIS 5 5.211 10.117 5.029 1.00 32.10 ATOM 77 NE2 HIS 5 6.427 8.371 5.252 1.00 74.22 ATOM 78 HE2 HIS 5 7.305 8.716 4.985 1.00 38.60 ATOM 79 C HIS 5 2.872 5.678 3.796 1.00 11.31 ATOM 80 O HIS 5 3.352 5.849 2.675 1.00 55.32 ATOM 81 N HIS 6 1.683 6.152 4.154 1.00 34.11 ATOM 82 HN HIS 6 1.347 5.991 5.066 1.00 38.60 ATOM 83 CA HIS 6 0.855 6.918 3.229 1.00 34.40 ATOM 84 HA HIS 6 1.277 6.852 2.231 1.00 54.23 ATOM 85 CB HIS 6 -0.567 6.355 3.198 1.00 2.14 ATOM 86 HB1 HIS 6 -1.250 7.104 2.819 1.00 38.60 ATOM 87 HB2 HIS 6 -0.866 6.084 4.200 1.00 60.11 ATOM 88 CG HIS 6 -0.711 5.140 2.335 1.00 35.45 ATOM 89 ND1 HIS 6 -1.473 5.119 1.186 1.00 62.01 ATOM 90 HD1 HIS 6 -1.985 5.873 0.825 1.00 52.43 ATOM 91 CD2 HIS 6 -0.185 3.899 2.459 1.00 74.52 ATOM 92 HD2 HIS 6 0.468 3.555 3.249 1.00 32.50 ATOM 93 CE1 HIS 6 -1.410 3.917 0.640 1.00 12.45 ATOM 94 HE1 HIS 6 -1.907 3.609 -0.268 1.00 14.14 ATOM 95 NE2 HIS 6 -0.635 3.158 1.393 1.00 2.03 ATOM 96 HE2 HIS 6 -0.345 2.249 1.169 1.00 38.60 ATOM 97 C HIS 6 0.823 8.392 3.621 1.00 33.31 ATOM 98 O HIS 6 1.264 9.256 2.863 1.00 50.00 ATOM 99 N HIS 7 0.297 8.672 4.810 1.00 62.24 ATOM 100 HN HIS 7 -0.051 7.939 5.373 1.00 38.60 ATOM 101 CA HIS 7 0.208 10.042 5.302 1.00 34.21 ATOM 102 HA HIS 7 1.046 10.607 4.902 1.00 4.10 ATOM 103 CB HIS 7 -1.093 10.692 4.829 1.00 45.43 ATOM 104 HB1 HIS 7 -1.229 11.642 5.332 1.00 38.60 ATOM 105 HB2 HIS 7 -1.920 10.043 5.071 1.00 32.21 ATOM 106 CG HIS 7 -1.130 10.952 3.354 1.00 31.11 ATOM 107 ND1 HIS 7 -0.755 12.154 2.792 1.00 72.23 ATOM 108 HD1 HIS 7 -0.435 12.940 3.282 1.00 5.05 ATOM 109 CD2 HIS 7 -1.500 10.155 2.324 1.00 3.31 ATOM 110 HD2 HIS 7 -1.860 9.140 2.397 1.00 72.23 ATOM 111 CE1 HIS 7 -0.894 12.086 1.480 1.00 72.22 ATOM 112 HE1 HIS 7 -0.675 12.879 0.780 1.00 63.10 ATOM 113 NE2 HIS 7 -1.344 10.883 1.170 1.00 11.22 ATOM 114 HE2 HIS 7 -1.444 10.535 0.259 1.00 38.60 ATOM 115 C HIS 7 0.283 10.077 6.826 1.00 51.54 ATOM 116 O HIS 7 -0.598 9.560 7.513 1.00 21.21 ATOM 117 N HIS 8 1.341 10.691 7.347 1.00 73.11 ATOM 118 HN HIS 8 2.014 11.098 6.753 1.00 38.60 ATOM 119 CA HIS 8 1.531 10.794 8.789 1.00 32.34 ATOM 120 HA HIS 8 0.819 10.148 9.291 1.00 71.01 ATOM 121 CB HIS 8 2.938 10.335 9.174 1.00 40.55 ATOM 122 HB1 HIS 8 3.661 10.902 8.606 1.00 38.60 ATOM 123 HB2 HIS 8 3.044 9.287 8.937 1.00 32.41 ATOM 124 CG HIS 8 3.248 10.510 10.628 1.00 25.23 ATOM 125 ND1 HIS 8 4.320 11.247 11.086 1.00 23.31 ATOM 126 HD1 HIS 8 4.971 11.719 10.526 1.00 11.42 ATOM 127 CD2 HIS 8 2.619 10.039 11.730 1.00 24.14 ATOM 128 HD2 HIS 8 1.733 9.420 11.747 1.00 14.44 ATOM 129 CE1 HIS 8 4.338 11.220 12.407 1.00 41.13 ATOM 130 HE1 HIS 8 5.064 11.710 13.039 1.00 31.23 ATOM 131 NE2 HIS 8 3.316 10.494 12.823 1.00 41.13 ATOM 132 HE2 HIS 8 3.150 10.233 13.753 1.00 38.60 ATOM 133 C HIS 8 1.301 12.224 9.267 1.00 13.31 ATOM 134 O HIS 8 2.244 13.003 9.402 1.00 42.44 ATOM 135 N SER 9 0.041 12.563 9.521 1.00 33.22 ATOM 136 HN SER 9 -0.674 11.895 9.389 1.00 38.60 ATOM 137 CA SER 9 -0.314 13.901 9.979 1.00 3.04 ATOM 138 HA SER 9 0.352 14.165 10.793 1.00 63.15 ATOM 139 CB SER 9 -0.128 14.916 8.850 1.00 71.24 ATOM 140 HB1 SER 9 -0.506 14.502 7.926 1.00 38.60 ATOM 141 HB2 SER 9 0.922 15.140 8.740 1.00 42.03 ATOM 142 OG SER 9 -0.823 16.120 9.126 1.00 23.41 ATOM 143 HG SER 9 -0.540 16.801 8.512 1.00 24.54 ATOM 144 C SER 9 -1.754 13.940 10.481 1.00 21.34 ATOM 145 O SER 9 -2.699 13.822 9.701 1.00 71.02 ATOM 146 N HIS 10 -1.913 14.105 11.791 1.00 54.43 ATOM 147 HN HIS 10 -1.121 14.225 12.363 1.00 38.60 ATOM 148 CA HIS 10 -3.238 14.160 12.399 1.00 51.34 ATOM 149 HA HIS 10 -3.986 13.916 11.655 1.00 3.23 ATOM 150 CB HIS 10 -3.344 13.142 13.534 1.00 20.10 ATOM 151 HB1 HIS 10 -3.358 12.150 13.106 1.00 38.60 ATOM 152 HB2 HIS 10 -4.262 13.295 14.086 1.00 35.42 ATOM 153 CG HIS 10 -2.203 13.203 14.502 1.00 44.12 ATOM 154 ND1 HIS 10 -1.406 12.117 14.796 1.00 32.50 ATOM 155 HD1 HIS 10 -1.500 11.219 14.416 1.00 42.44 ATOM 156 CD2 HIS 10 -1.724 14.230 15.243 1.00 73.21 ATOM 157 HD2 HIS 10 -2.102 15.239 15.267 1.00 43.14 ATOM 158 CE1 HIS 10 -0.489 12.472 15.677 1.00 24.24 ATOM 159 HE1 HIS 10 0.272 11.827 16.091 1.00 24.04 ATOM 160 NE2 HIS 10 -0.659 13.750 15.965 1.00 74.42 ATOM 161 HE2 HIS 10 -0.178 14.240 16.664 1.00 38.60 ATOM 162 C HIS 10 -3.536 15.561 12.926 1.00 73.41 ATOM 163 O HIS 10 -4.055 15.721 14.030 1.00 21.23 ATOM 164 N MET 11 -3.204 16.571 12.129 1.00 72.12 ATOM 165 HN MET 11 -2.814 16.385 11.242 1.00 38.60 ATOM 166 CA MET 11 -3.437 17.958 12.516 1.00 72.51 ATOM 167 HA MET 11 -3.281 18.042 13.584 1.00 44.44 ATOM 168 CB MET 11 -2.454 18.882 11.796 1.00 51.53 ATOM 169 HB1 MET 11 -2.664 18.861 10.735 1.00 38.60 ATOM 170 HB2 MET 11 -1.449 18.513 11.954 1.00 13.12 ATOM 171 CG MET 11 -2.524 20.327 12.264 1.00 74.11 ATOM 172 HG1 MET 11 -3.543 20.677 12.233 1.00 38.60 ATOM 173 HG2 MET 11 -1.930 20.930 11.593 1.00 3.41 ATOM 174 SD MET 11 -1.893 20.546 13.939 1.00 61.15 ATOM 175 CE MET 11 -0.137 20.699 13.621 1.00 41.43 ATOM 176 HE1 MET 11 0.040 21.549 12.978 1.00 50.34 ATOM 177 HE2 MET 11 0.221 19.802 13.138 1.00 22.04 ATOM 178 HE3 MET 11 0.387 20.839 14.555 1.00 62.22 ATOM 179 C MET 11 -4.870 18.376 12.202 1.00 11.13 ATOM 180 O MET 11 -5.109 19.174 11.296 1.00 32.13 ATOM 181 N ALA 12 -5.819 17.832 12.957 1.00 53.41 ATOM 182 HN ALA 12 -5.576 17.200 13.671 1.00 38.60 ATOM 183 CA ALA 12 -7.228 18.151 12.760 1.00 40.10 ATOM 184 HA ALA 12 -7.315 18.951 12.031 1.00 30.22 ATOM 185 CB ALA 12 -7.967 16.947 12.195 1.00 55.40 ATOM 186 HB1 ALA 12 -8.997 17.211 11.999 1.00 24.25 ATOM 187 HB2 ALA 12 -7.932 16.132 12.905 1.00 12.15 ATOM 188 HB3 ALA 12 -7.495 16.638 11.274 1.00 43.24 ATOM 189 C ALA 12 -7.875 18.608 14.063 1.00 22.12 ATOM 190 O ALA 12 -8.062 17.816 14.987 1.00 70.42 ATOM 191 N LYS 13 -8.214 19.891 14.132 1.00 31.30 ATOM 192 HN LYS 13 -8.025 20.485 13.367 1.00 38.60 ATOM 193 CA LYS 13 -8.841 20.454 15.322 1.00 42.11 ATOM 194 HA LYS 13 -9.464 19.698 15.782 1.00 43.51 ATOM 195 CB LYS 13 -7.774 20.868 16.338 1.00 21.51 ATOM 196 HB1 LYS 13 -7.354 19.972 16.772 1.00 38.60 ATOM 197 HB2 LYS 13 -8.243 21.444 17.128 1.00 5.00 ATOM 198 CG LYS 13 -6.636 21.672 15.733 1.00 74.43 ATOM 199 HG1 LYS 13 -7.006 22.260 14.903 1.00 38.60 ATOM 200 HG2 LYS 13 -5.880 20.989 15.369 1.00 70.12 ATOM 201 CD LYS 13 -6.018 22.616 16.750 1.00 53.33 ATOM 202 HD1 LYS 13 -6.797 23.091 17.333 1.00 38.60 ATOM 203 HD2 LYS 13 -5.460 23.373 16.219 1.00 22.41 ATOM 204 CE LYS 13 -5.071 21.884 17.688 1.00 72.44 ATOM 205 HE1 LYS 13 -4.480 21.174 17.122 1.00 38.60 ATOM 206 HE2 LYS 13 -5.654 21.355 18.426 1.00 73.13 ATOM 207 NZ LYS 13 -4.147 22.820 18.385 1.00 21.12 ATOM 208 HZ1 LYS 13 -4.687 23.506 18.953 1.00 31.34 ATOM 209 HZ2 LYS 13 -3.567 23.339 17.694 1.00 15.43 ATOM 210 HZ3 LYS 13 -3.514 22.288 19.017 1.00 71.52 ATOM 211 C LYS 13 -9.708 21.656 14.962 1.00 35.05 ATOM 212 O LYS 13 -9.358 22.806 15.226 1.00 2.34 ATOM 213 N PRO 14 -10.869 21.386 14.347 1.00 13.11 ATOM 214 CA PRO 14 -11.812 22.433 13.941 1.00 62.45 ATOM 215 HA PRO 14 -11.326 23.180 13.327 1.00 40.21 ATOM 216 CB PRO 14 -12.841 21.675 13.099 1.00 55.15 ATOM 217 HB1 PRO 14 -12.558 21.728 12.059 1.00 38.60 ATOM 218 HB2 PRO 14 -13.830 22.099 13.224 1.00 70.20 ATOM 219 CG PRO 14 -12.781 20.273 13.597 1.00 22.44 ATOM 220 HG1 PRO 14 -13.064 19.591 12.809 1.00 38.60 ATOM 221 HG2 PRO 14 -13.435 20.157 14.449 1.00 23.12 ATOM 222 CD PRO 14 -11.351 20.038 14.001 1.00 14.33 ATOM 223 HD1 PRO 14 -10.788 19.625 13.177 1.00 38.60 ATOM 224 HD2 PRO 14 -11.315 19.378 14.853 1.00 21.45 ATOM 225 C PRO 14 -12.487 23.100 15.134 1.00 42.33 ATOM 226 O PRO 14 -12.898 22.432 16.083 1.00 61.53 ATOM 227 N THR 15 -12.599 24.424 15.080 1.00 20.13 ATOM 228 HN THR 15 -12.245 24.914 14.301 1.00 38.60 ATOM 229 CA THR 15 -13.224 25.182 16.157 1.00 44.22 ATOM 230 HA THR 15 -13.751 24.502 16.819 1.00 11.24 ATOM 231 CB THR 15 -12.175 25.945 16.988 1.00 12.32 ATOM 232 HB THR 15 -12.683 26.595 17.691 1.00 62.10 ATOM 233 OG1 THR 15 -11.353 26.741 16.128 1.00 44.32 ATOM 234 HG1 THR 15 -11.811 27.556 15.908 1.00 10.01 ATOM 235 CG2 THR 15 -11.305 24.980 17.780 1.00 53.45 ATOM 236 HG21 THR 15 -10.580 25.539 18.352 1.00 12.23 ATOM 237 HG22 THR 15 -10.790 24.315 17.101 1.00 42.22 ATOM 238 HG23 THR 15 -11.923 24.402 18.452 1.00 64.33 ATOM 239 C THR 15 -14.243 26.175 15.610 1.00 0.13 ATOM 240 O THR 15 -14.273 26.452 14.412 1.00 72.54 ATOM 241 N ALA 16 -15.076 26.709 16.497 1.00 13.13 ATOM 242 HN ALA 16 -15.012 26.438 17.444 1.00 38.60 ATOM 243 CA ALA 16 -16.095 27.674 16.104 1.00 75.15 ATOM 244 HA ALA 16 -15.666 28.338 15.360 1.00 2.04 ATOM 245 CB ALA 16 -17.278 26.961 15.464 1.00 11.14 ATOM 246 HB1 ALA 16 -17.742 26.304 16.186 1.00 21.21 ATOM 247 HB2 ALA 16 -16.932 26.379 14.622 1.00 40.43 ATOM 248 HB3 ALA 16 -18.001 27.689 15.123 1.00 55.10 ATOM 249 C ALA 16 -16.557 28.503 17.297 1.00 31.13 ATOM 250 O ALA 16 -16.799 27.968 18.380 1.00 51.54 ATOM 251 N ARG 17 -16.676 29.811 17.093 1.00 75.40 ATOM 252 HN ARG 17 -16.479 30.181 16.199 1.00 38.60 ATOM 253 CA ARG 17 -17.107 30.713 18.154 1.00 53.44 ATOM 254 HA ARG 17 -16.572 30.456 19.062 1.00 13.43 ATOM 255 CB ARG 17 -16.784 32.162 17.782 1.00 35.21 ATOM 256 HB1 ARG 17 -17.295 32.824 18.474 1.00 38.60 ATOM 257 HB2 ARG 17 -17.146 32.354 16.783 1.00 1.21 ATOM 258 CG ARG 17 -15.299 32.482 17.812 1.00 62.40 ATOM 259 HG1 ARG 17 -14.873 32.252 16.846 1.00 38.60 ATOM 260 HG2 ARG 17 -14.812 31.885 18.573 1.00 2.34 ATOM 261 CD ARG 17 -15.051 33.950 18.121 1.00 71.15 ATOM 262 HD1 ARG 17 -15.651 34.551 17.448 1.00 38.60 ATOM 263 HD2 ARG 17 -14.005 34.164 17.955 1.00 74.44 ATOM 264 NE ARG 17 -15.386 34.283 19.502 1.00 31.24 ATOM 265 HE ARG 17 -15.526 33.540 20.135 1.00 40.24 ATOM 266 CZ ARG 17 -15.507 35.528 19.950 1.00 74.33 ATOM 267 NH1 ARG 17 -15.323 36.552 19.128 1.00 25.22 ATOM 268 HH11 ARG 17 -15.090 36.417 18.168 1.00 1.24 ATOM 269 HH12 ARG 17 -15.420 37.487 19.475 1.00 4.32 ATOM 270 NH2 ARG 17 -15.815 35.750 21.221 1.00 3.22 ATOM 271 HH21 ARG 17 -15.957 34.980 21.847 1.00 30.35 ATOM 272 HH22 ARG 17 -15.906 36.688 21.561 1.00 44.21 ATOM 273 C ARG 17 -18.603 30.566 18.419 1.00 42.23 ATOM 274 O ARG 17 -19.012 30.076 19.470 1.00 10.33 ATOM 275 N GLY 18 -19.414 30.995 17.457 1.00 73.05 ATOM 276 HN GLY 18 -19.047 31.359 16.622 1.00 38.60 ATOM 277 CA GLY 18 -20.855 30.903 17.605 1.00 20.05 ATOM 278 HA1 GLY 18 -21.116 30.239 18.420 1.00 38.60 ATOM 279 HA2 GLY 18 -21.263 30.495 16.692 1.00 52.34 ATOM 280 C GLY 18 -21.500 32.253 17.851 1.00 62.41 ATOM 281 O GLY 18 -22.306 32.404 18.768 1.00 4.43 ATOM 282 N GLU 19 -21.143 33.235 17.030 1.00 52.43 ATOM 283 HN GLU 19 -20.484 33.056 16.316 1.00 38.60 ATOM 284 CA GLU 19 -21.692 34.580 17.165 1.00 64.32 ATOM 285 HA GLU 19 -22.747 34.493 17.403 1.00 25.41 ATOM 286 CB GLU 19 -20.993 35.327 18.303 1.00 54.44 ATOM 287 HB1 GLU 19 -21.063 34.720 19.195 1.00 38.60 ATOM 288 HB2 GLU 19 -21.509 36.259 18.487 1.00 43.23 ATOM 289 CG GLU 19 -19.521 35.597 18.041 1.00 52.15 ATOM 290 HG1 GLU 19 -19.093 34.774 17.484 1.00 38.60 ATOM 291 HG2 GLU 19 -19.015 35.682 18.991 1.00 23.24 ATOM 292 CD GLU 19 -19.292 36.880 17.265 1.00 72.22 ATOM 293 OE1 GLU 19 -20.276 37.606 17.014 1.00 14.13 ATOM 294 OE2 GLU 19 -18.128 37.157 16.909 1.00 64.03 ATOM 295 C GLU 19 -21.544 35.361 15.862 1.00 31.12 ATOM 296 O GLU 19 -20.496 35.323 15.219 1.00 43.30 ATOM 297 N ALA 20 -22.603 36.068 15.480 1.00 63.31 ATOM 298 HN ALA 20 -23.420 36.066 16.029 1.00 38.60 ATOM 299 CA ALA 20 -22.591 36.859 14.256 1.00 73.12 ATOM 300 HA ALA 20 -23.595 37.217 14.082 1.00 35.11 ATOM 301 CB ALA 20 -21.679 38.066 14.416 1.00 12.10 ATOM 302 HB1 ALA 20 -20.659 37.737 14.558 1.00 73.22 ATOM 303 HB2 ALA 20 -21.993 38.639 15.276 1.00 15.21 ATOM 304 HB3 ALA 20 -21.738 38.686 13.532 1.00 53.01 ATOM 305 C ALA 20 -22.153 36.017 13.062 1.00 11.21 ATOM 306 O ALA 20 -21.267 36.411 12.304 1.00 34.44 ATOM 307 N GLY 21 -22.779 34.855 12.901 1.00 15.30 ATOM 308 HN GLY 21 -23.483 34.582 13.532 1.00 38.60 ATOM 309 CA GLY 21 -22.439 33.976 11.798 1.00 55.02 ATOM 310 HA1 GLY 21 -22.260 32.989 12.198 1.00 38.60 ATOM 311 HA2 GLY 21 -21.532 34.312 11.307 1.00 22.31 ATOM 312 C GLY 21 -23.551 33.876 10.772 1.00 50.30 ATOM 313 O GLY 21 -24.731 33.926 11.119 1.00 71.23 ATOM 314 N SER 22 -23.174 33.737 9.505 1.00 52.11 ATOM 315 HN SER 22 -22.211 33.688 9.290 1.00 38.60 ATOM 316 CA SER 22 -24.148 33.636 8.424 1.00 32.05 ATOM 317 HA SER 22 -24.934 34.360 8.601 1.00 1.03 ATOM 318 CB SER 22 -23.487 33.954 7.082 1.00 51.00 ATOM 319 HB1 SER 22 -22.567 34.501 7.241 1.00 38.60 ATOM 320 HB2 SER 22 -24.161 34.555 6.490 1.00 10.33 ATOM 321 OG SER 22 -23.193 32.768 6.364 1.00 34.14 ATOM 322 HG SER 22 -22.758 32.993 5.538 1.00 21.21 ATOM 323 C SER 22 -24.769 32.243 8.381 1.00 21.12 ATOM 324 O SER 22 -24.381 31.355 9.140 1.00 24.31 ATOM 325 N ARG 23 -25.736 32.060 7.488 1.00 45.23 ATOM 326 HN ARG 23 -26.000 32.810 6.902 1.00 38.60 ATOM 327 CA ARG 23 -26.412 30.776 7.345 1.00 4.43 ATOM 328 HA ARG 23 -26.734 30.444 8.319 1.00 3.04 ATOM 329 CB ARG 23 -27.645 30.922 6.451 1.00 24.45 ATOM 330 HB1 ARG 23 -27.328 31.240 5.466 1.00 38.60 ATOM 331 HB2 ARG 23 -28.287 31.682 6.874 1.00 73.24 ATOM 332 CG ARG 23 -28.450 29.640 6.311 1.00 3.14 ATOM 333 HG1 ARG 23 -28.811 29.345 7.285 1.00 38.60 ATOM 334 HG2 ARG 23 -27.819 28.862 5.909 1.00 33.22 ATOM 335 CD ARG 23 -29.638 29.828 5.381 1.00 30.53 ATOM 336 HD1 ARG 23 -29.310 30.405 4.525 1.00 38.60 ATOM 337 HD2 ARG 23 -30.410 30.370 5.908 1.00 2.53 ATOM 338 NE ARG 23 -30.181 28.552 4.923 1.00 32.43 ATOM 339 HE ARG 23 -29.978 27.747 5.456 1.00 34.22 ATOM 340 CZ ARG 23 -30.935 28.421 3.837 1.00 11.24 ATOM 341 NH1 ARG 23 -31.233 29.483 3.102 1.00 50.23 ATOM 342 HH11 ARG 23 -30.909 30.394 3.341 1.00 31.41 ATOM 343 HH12 ARG 23 -31.799 29.372 2.282 1.00 41.13 ATOM 344 NH2 ARG 23 -31.392 27.226 3.485 1.00 12.31 ATOM 345 HH21 ARG 23 -31.170 26.419 4.037 1.00 14.41 ATOM 346 HH22 ARG 23 -31.961 27.125 2.666 1.00 54.20 ATOM 347 C ARG 23 -25.469 29.727 6.763 1.00 0.13 ATOM 348 O ARG 23 -25.580 28.540 7.070 1.00 10.02 ATOM 349 N ASP 24 -24.543 30.173 5.922 1.00 3.21 ATOM 350 HN ASP 24 -24.502 31.133 5.702 1.00 38.60 ATOM 351 CA ASP 24 -23.580 29.273 5.297 1.00 12.34 ATOM 352 HA ASP 24 -24.105 28.382 4.969 1.00 5.31 ATOM 353 CB ASP 24 -22.938 29.943 4.081 1.00 12.14 ATOM 354 HB1 ASP 24 -22.133 29.322 3.707 1.00 38.60 ATOM 355 HB2 ASP 24 -22.538 30.902 4.375 1.00 21.22 ATOM 356 CG ASP 24 -23.926 30.162 2.952 1.00 22.12 ATOM 357 OD1 ASP 24 -24.418 31.301 2.806 1.00 64.31 ATOM 358 OD2 ASP 24 -24.206 29.195 2.214 1.00 34.53 ATOM 359 C ASP 24 -22.502 28.856 6.292 1.00 24.41 ATOM 360 O ASP 24 -21.901 27.790 6.159 1.00 34.33 ATOM 361 N GLU 25 -22.261 29.704 7.287 1.00 20.32 ATOM 362 HN GLU 25 -22.754 30.554 7.334 1.00 38.60 ATOM 363 CA GLU 25 -21.253 29.422 8.303 1.00 51.53 ATOM 364 HA GLU 25 -20.310 29.290 7.795 1.00 22.24 ATOM 365 CB GLU 25 -21.162 30.581 9.298 1.00 52.55 ATOM 366 HB1 GLU 25 -20.997 30.195 10.297 1.00 38.60 ATOM 367 HB2 GLU 25 -22.082 31.134 9.296 1.00 4.33 ATOM 368 CG GLU 25 -20.035 31.555 8.997 1.00 60.14 ATOM 369 HG1 GLU 25 -20.010 32.307 9.772 1.00 38.60 ATOM 370 HG2 GLU 25 -20.228 32.026 8.045 1.00 42.14 ATOM 371 CD GLU 25 -18.680 30.877 8.935 1.00 2.33 ATOM 372 OE1 GLU 25 -17.751 31.460 8.338 1.00 1.02 ATOM 373 OE2 GLU 25 -18.549 29.764 9.485 1.00 23.43 ATOM 374 C GLU 25 -21.573 28.127 9.043 1.00 60.35 ATOM 375 O GLU 25 -20.780 27.185 9.039 1.00 44.33 ATOM 376 N ARG 26 -22.740 28.087 9.677 1.00 52.03 ATOM 377 HN ARG 26 -23.342 28.852 9.598 1.00 38.60 ATOM 378 CA ARG 26 -23.165 26.908 10.423 1.00 42.45 ATOM 379 HA ARG 26 -22.487 26.760 11.244 1.00 43.02 ATOM 380 CB ARG 26 -24.575 27.112 10.980 1.00 41.02 ATOM 381 HB1 ARG 26 -24.903 26.188 11.442 1.00 38.60 ATOM 382 HB2 ARG 26 -25.245 27.340 10.163 1.00 63.30 ATOM 383 CG ARG 26 -24.662 28.205 12.033 1.00 63.23 ATOM 384 HG1 ARG 26 -23.709 28.308 12.537 1.00 38.60 ATOM 385 HG2 ARG 26 -25.417 27.925 12.754 1.00 42.03 ATOM 386 CD ARG 26 -25.044 29.542 11.418 1.00 74.23 ATOM 387 HD1 ARG 26 -25.738 29.373 10.604 1.00 38.60 ATOM 388 HD2 ARG 26 -24.149 30.009 11.047 1.00 73.44 ATOM 389 NE ARG 26 -25.653 30.440 12.396 1.00 45.14 ATOM 390 HE ARG 26 -25.502 30.251 13.352 1.00 12.41 ATOM 391 CZ ARG 26 -26.389 31.495 12.066 1.00 53.01 ATOM 392 NH1 ARG 26 -26.609 31.782 10.790 1.00 4.12 ATOM 393 HH11 ARG 26 -26.242 31.219 10.075 1.00 11.12 ATOM 394 HH12 ARG 26 -27.158 32.585 10.547 1.00 42.44 ATOM 395 NH2 ARG 26 -26.909 32.265 13.013 1.00 0.13 ATOM 396 HH21 ARG 26 -26.748 32.053 13.979 1.00 31.31 ATOM 397 HH22 ARG 26 -27.465 33.062 12.766 1.00 31.32 ATOM 398 C ARG 26 -23.130 25.665 9.539 1.00 30.44 ATOM 399 O ARG 26 -22.917 24.553 10.024 1.00 75.00 ATOM 400 N ARG 27 -23.341 25.860 8.242 1.00 43.31 ATOM 401 HN ARG 27 -23.545 26.762 7.906 1.00 38.60 ATOM 402 CA ARG 27 -23.335 24.755 7.292 1.00 73.43 ATOM 403 HA ARG 27 -23.908 23.938 7.713 1.00 23.34 ATOM 404 CB ARG 27 -23.987 25.182 5.975 1.00 1.23 ATOM 405 HB1 ARG 27 -23.946 24.367 5.290 1.00 38.60 ATOM 406 HB2 ARG 27 -23.430 26.008 5.561 1.00 4.32 ATOM 407 CG ARG 27 -25.434 25.623 6.127 1.00 45.21 ATOM 408 HG1 ARG 27 -25.710 26.217 5.268 1.00 38.60 ATOM 409 HG2 ARG 27 -25.540 26.214 7.022 1.00 51.12 ATOM 410 CD ARG 27 -26.373 24.431 6.221 1.00 64.24 ATOM 411 HD1 ARG 27 -25.940 23.702 6.896 1.00 38.60 ATOM 412 HD2 ARG 27 -26.479 23.993 5.239 1.00 1.23 ATOM 413 NE ARG 27 -27.693 24.811 6.715 1.00 1.44 ATOM 414 HE ARG 27 -27.927 25.769 6.716 1.00 50.45 ATOM 415 CZ ARG 27 -28.592 23.939 7.156 1.00 31.32 ATOM 416 NH1 ARG 27 -28.314 22.642 7.164 1.00 53.30 ATOM 417 HH11 ARG 27 -27.438 22.292 6.841 1.00 3.30 ATOM 418 HH12 ARG 27 -28.999 21.993 7.502 1.00 42.34 ATOM 419 NH2 ARG 27 -29.772 24.362 7.591 1.00 50.31 ATOM 420 HH21 ARG 27 -29.989 25.340 7.588 1.00 61.12 ATOM 421 HH22 ARG 27 -30.452 23.705 7.924 1.00 31.12 ATOM 422 C ARG 27 -21.913 24.267 7.033 1.00 44.43 ATOM 423 O ARG 27 -21.695 23.099 6.713 1.00 44.32 ATOM 424 N ALA 28 -20.948 25.171 7.173 1.00 54.23 ATOM 425 HN ALA 28 -21.175 26.094 7.403 1.00 38.60 ATOM 426 CA ALA 28 -19.547 24.833 6.955 1.00 13.45 ATOM 427 HA ALA 28 -19.473 24.226 6.060 1.00 24.13 ATOM 428 CB ALA 28 -18.729 26.096 6.727 1.00 33.20 ATOM 429 HB1 ALA 28 -18.759 26.719 7.609 1.00 45.13 ATOM 430 HB2 ALA 28 -19.148 26.637 5.896 1.00 21.12 ATOM 431 HB3 ALA 28 -17.705 25.832 6.504 1.00 21.35 ATOM 432 C ALA 28 -18.985 24.042 8.131 1.00 22.22 ATOM 433 O ALA 28 -18.547 22.901 7.973 1.00 55.33 ATOM 434 N LEU 29 -18.998 24.653 9.310 1.00 0.44 ATOM 435 HN LEU 29 -19.334 25.577 9.359 1.00 38.60 ATOM 436 CA LEU 29 -18.488 24.006 10.514 1.00 32.40 ATOM 437 HA LEU 29 -17.433 23.817 10.372 1.00 72.43 ATOM 438 CB LEU 29 -18.667 24.923 11.725 1.00 24.21 ATOM 439 HB1 LEU 29 -17.886 25.671 11.670 1.00 38.60 ATOM 440 HB2 LEU 29 -18.488 24.340 12.624 1.00 22.52 ATOM 441 CG LEU 29 -20.017 25.631 11.838 1.00 74.50 ATOM 442 HG LEU 29 -20.658 25.359 11.011 1.00 33.52 ATOM 443 CD1 LEU 29 -20.737 25.208 13.109 1.00 21.23 ATOM 444 HD11 LEU 29 -20.147 25.483 13.973 1.00 32.12 ATOM 445 HD12 LEU 29 -20.885 24.137 13.102 1.00 64.45 ATOM 446 HD13 LEU 29 -21.699 25.698 13.162 1.00 51.13 ATOM 447 CD2 LEU 29 -19.833 27.141 11.804 1.00 23.45 ATOM 448 HD21 LEU 29 -20.791 27.632 11.825 1.00 52.41 ATOM 449 HD22 LEU 29 -19.306 27.425 10.905 1.00 4.23 ATOM 450 HD23 LEU 29 -19.255 27.453 12.664 1.00 2.23 ATOM 451 C LEU 29 -19.197 22.677 10.759 1.00 4.21 ATOM 452 O LEU 29 -18.630 21.761 11.353 1.00 21.43 ATOM 453 N ALA 30 -20.438 22.580 10.295 1.00 13.33 ATOM 454 HN ALA 30 -20.865 23.356 9.867 1.00 38.60 ATOM 455 CA ALA 30 -21.223 21.363 10.460 1.00 25.33 ATOM 456 HA ALA 30 -21.217 21.093 11.509 1.00 74.11 ATOM 457 CB ALA 30 -22.667 21.606 10.050 1.00 73.11 ATOM 458 HB1 ALA 30 -23.132 22.268 10.762 1.00 54.31 ATOM 459 HB2 ALA 30 -23.210 20.669 10.031 1.00 51.31 ATOM 460 HB3 ALA 30 -22.692 22.058 9.070 1.00 64.13 ATOM 461 C ALA 30 -20.628 20.213 9.654 1.00 42.20 ATOM 462 O ALA 30 -20.627 19.066 10.099 1.00 71.10 ATOM 463 N MET 31 -20.123 20.529 8.466 1.00 72.13 ATOM 464 HN MET 31 -20.148 21.464 8.154 1.00 38.60 ATOM 465 CA MET 31 -19.525 19.521 7.598 1.00 40.23 ATOM 466 HA MET 31 -19.933 18.553 7.851 1.00 10.13 ATOM 467 CB MET 31 -19.838 19.829 6.132 1.00 32.22 ATOM 468 HB1 MET 31 -19.264 19.169 5.493 1.00 38.60 ATOM 469 HB2 MET 31 -19.549 20.849 5.926 1.00 41.31 ATOM 470 CG MET 31 -21.309 19.676 5.780 1.00 20.10 ATOM 471 HG1 MET 31 -21.447 19.986 4.761 1.00 38.60 ATOM 472 HG2 MET 31 -21.901 20.297 6.433 1.00 71.01 ATOM 473 SD MET 31 -21.881 17.971 5.913 1.00 53.24 ATOM 474 CE MET 31 -21.002 17.212 4.550 1.00 62.25 ATOM 475 HE1 MET 31 -21.716 16.830 3.844 1.00 63.13 ATOM 476 HE2 MET 31 -20.395 16.400 4.922 1.00 34.13 ATOM 477 HE3 MET 31 -20.372 17.938 4.072 1.00 24.32 ATOM 478 C MET 31 -18.015 19.453 7.804 1.00 51.42 ATOM 479 O MET 31 -17.340 18.590 7.243 1.00 3.01 ATOM 480 N LYS 32 -17.491 20.369 8.611 1.00 1.30 ATOM 481 HN LYS 32 -18.053 21.046 9.023 1.00 38.60 ATOM 482 CA LYS 32 -16.061 20.414 8.892 1.00 21.54 ATOM 483 HA LYS 32 -15.887 21.210 9.600 1.00 35.42 ATOM 484 CB LYS 32 -15.600 19.090 9.507 1.00 10.02 ATOM 485 HB1 LYS 32 -14.593 19.228 9.878 1.00 38.60 ATOM 486 HB2 LYS 32 -15.588 18.318 8.751 1.00 52.02 ATOM 487 CG LYS 32 -16.476 18.614 10.654 1.00 45.44 ATOM 488 HG1 LYS 32 -17.371 18.160 10.250 1.00 38.60 ATOM 489 HG2 LYS 32 -16.751 19.463 11.268 1.00 0.51 ATOM 490 CD LYS 32 -15.749 17.607 11.529 1.00 74.31 ATOM 491 HD1 LYS 32 -16.318 17.463 12.436 1.00 38.60 ATOM 492 HD2 LYS 32 -14.767 17.986 11.780 1.00 32.14 ATOM 493 CE LYS 32 -15.599 16.265 10.828 1.00 50.44 ATOM 494 HE1 LYS 32 -15.218 16.419 9.827 1.00 38.60 ATOM 495 HE2 LYS 32 -16.568 15.793 10.773 1.00 72.34 ATOM 496 NZ LYS 32 -14.665 15.361 11.554 1.00 10.30 ATOM 497 HZ1 LYS 32 -15.015 15.177 12.518 1.00 25.44 ATOM 498 HZ2 LYS 32 -13.719 15.791 11.616 1.00 12.42 ATOM 499 HZ3 LYS 32 -14.585 14.455 11.049 1.00 41.44 ATOM 500 C LYS 32 -15.265 20.701 7.623 1.00 33.11 ATOM 501 O LYS 32 -14.449 19.885 7.193 1.00 13.11 ATOM 502 N ILE 33 -15.507 21.865 7.029 1.00 32.34 ATOM 503 HN ILE 33 -16.165 22.484 7.426 1.00 38.60 ATOM 504 CA ILE 33 -14.811 22.260 5.811 1.00 20.33 ATOM 505 HA ILE 33 -14.727 21.380 5.195 1.00 72.25 ATOM 506 CB ILE 33 -15.604 23.324 5.030 1.00 44.03 ATOM 507 HB ILE 33 -15.686 24.211 5.643 1.00 52.41 ATOM 508 CG1 ILE 33 -17.010 22.812 4.711 1.00 0.33 ATOM 509 HG11 ILE 33 -17.543 23.558 4.137 1.00 38.60 ATOM 510 HG12 ILE 33 -17.542 22.635 5.634 1.00 5.31 ATOM 511 CG2 ILE 33 -14.869 23.699 3.752 1.00 44.24 ATOM 512 HG21 ILE 33 -14.774 22.843 3.109 1.00 40.14 ATOM 513 HG22 ILE 33 -13.902 24.074 3.984 1.00 34.51 ATOM 514 HG23 ILE 33 -15.426 24.467 3.233 1.00 1.04 ATOM 515 CD1 ILE 33 -17.019 21.523 3.920 1.00 12.03 ATOM 516 HD11 ILE 33 -18.038 21.285 3.652 1.00 30.45 ATOM 517 HD12 ILE 33 -16.620 20.720 4.518 1.00 2.23 ATOM 518 HD13 ILE 33 -16.436 21.628 3.020 1.00 44.32 ATOM 519 C ILE 33 -13.422 22.805 6.124 1.00 24.33 ATOM 520 O ILE 33 -13.239 23.635 7.015 1.00 34.10 ATOM 521 N PRO 34 -12.417 22.329 5.374 1.00 43.21 ATOM 522 CA PRO 34 -11.026 22.757 5.551 1.00 63.31 ATOM 523 HA PRO 34 -10.702 22.641 6.575 1.00 60.22 ATOM 524 CB PRO 34 -10.242 21.796 4.653 1.00 53.01 ATOM 525 HB1 PRO 34 -9.906 20.954 5.240 1.00 38.60 ATOM 526 HB2 PRO 34 -9.385 22.291 4.212 1.00 13.42 ATOM 527 CG PRO 34 -11.220 21.366 3.615 1.00 71.25 ATOM 528 HG1 PRO 34 -10.965 20.379 3.259 1.00 38.60 ATOM 529 HG2 PRO 34 -11.221 22.060 2.810 1.00 71.55 ATOM 530 CD PRO 34 -12.561 21.338 4.295 1.00 60.14 ATOM 531 HD1 PRO 34 -12.755 20.355 4.700 1.00 38.60 ATOM 532 HD2 PRO 34 -13.322 21.608 3.598 1.00 22.13 ATOM 533 C PRO 34 -10.802 24.199 5.111 1.00 52.45 ATOM 534 O PRO 34 -10.084 24.955 5.766 1.00 72.10 ATOM 535 N PHE 35 -11.422 24.576 3.997 1.00 63.01 ATOM 536 HN PHE 35 -12.003 23.945 3.545 1.00 38.60 ATOM 537 CA PHE 35 -11.290 25.929 3.469 1.00 63.23 ATOM 538 HA PHE 35 -10.377 26.356 3.863 1.00 21.31 ATOM 539 CB PHE 35 -11.183 25.895 1.943 1.00 44.03 ATOM 540 HB1 PHE 35 -10.219 25.482 1.676 1.00 38.60 ATOM 541 HB2 PHE 35 -11.245 26.899 1.546 1.00 65.41 ATOM 542 CG PHE 35 -12.248 25.066 1.285 1.00 35.12 ATOM 543 CD1 PHE 35 -12.019 23.734 0.980 1.00 43.03 ATOM 544 HD1 PHE 35 -11.060 23.293 1.208 1.00 73.52 ATOM 545 CD2 PHE 35 -13.480 25.618 0.973 1.00 33.00 ATOM 546 HD2 PHE 35 -13.674 26.654 1.203 1.00 54.21 ATOM 547 CE1 PHE 35 -12.998 22.969 0.374 1.00 45.11 ATOM 548 HE1 PHE 35 -12.804 21.934 0.144 1.00 13.15 ATOM 549 CE2 PHE 35 -14.463 24.858 0.368 1.00 73.25 ATOM 550 HE2 PHE 35 -15.413 25.288 0.133 1.00 32.23 ATOM 551 CZ PHE 35 -14.222 23.531 0.069 1.00 43.34 ATOM 552 HZ PHE 35 -14.987 22.936 -0.405 1.00 21.10 ATOM 553 C PHE 35 -12.475 26.794 3.888 1.00 44.24 ATOM 554 O PHE 35 -13.563 26.300 4.182 1.00 53.33 ATOM 555 N PRO 36 -12.259 28.118 3.916 1.00 20.23 ATOM 556 CA PRO 36 -13.296 29.081 4.298 1.00 73.33 ATOM 557 HA PRO 36 -13.726 28.836 5.260 1.00 63.21 ATOM 558 CB PRO 36 -12.532 30.403 4.401 1.00 52.13 ATOM 559 HB1 PRO 36 -12.219 30.554 5.423 1.00 38.60 ATOM 560 HB2 PRO 36 -13.153 31.234 4.089 1.00 33.41 ATOM 561 CG PRO 36 -11.356 30.232 3.503 1.00 61.32 ATOM 562 HG1 PRO 36 -10.537 30.845 3.848 1.00 38.60 ATOM 563 HG2 PRO 36 -11.626 30.497 2.504 1.00 75.21 ATOM 564 CD PRO 36 -10.986 28.776 3.578 1.00 0.21 ATOM 565 HD1 PRO 36 -10.251 28.615 4.353 1.00 38.60 ATOM 566 HD2 PRO 36 -10.607 28.449 2.629 1.00 2.34 ATOM 567 C PRO 36 -14.403 29.185 3.254 1.00 62.33 ATOM 568 O PRO 36 -14.196 28.872 2.081 1.00 41.04 ATOM 569 N THR 37 -15.580 29.627 3.687 1.00 65.41 ATOM 570 HN THR 37 -15.682 29.866 4.638 1.00 38.60 ATOM 571 CA THR 37 -16.719 29.771 2.790 1.00 40.31 ATOM 572 HA THR 37 -16.797 28.877 2.194 1.00 33.30 ATOM 573 CB THR 37 -18.034 29.941 3.574 1.00 4.35 ATOM 574 HB THR 37 -18.856 29.993 2.872 1.00 72.22 ATOM 575 OG1 THR 37 -17.995 31.151 4.339 1.00 4.23 ATOM 576 HG1 THR 37 -17.324 31.108 5.031 1.00 74.21 ATOM 577 CG2 THR 37 -18.268 28.757 4.500 1.00 11.34 ATOM 578 HG21 THR 37 -19.203 28.892 5.023 1.00 41.22 ATOM 579 HG22 THR 37 -17.463 28.692 5.218 1.00 50.54 ATOM 580 HG23 THR 37 -18.310 27.845 3.921 1.00 22.25 ATOM 581 C THR 37 -16.538 30.965 1.859 1.00 20.11 ATOM 582 O THR 37 -16.880 30.901 0.678 1.00 21.31 ATOM 583 N ASP 38 -15.998 32.053 2.398 1.00 71.52 ATOM 584 HN ASP 38 -15.760 32.055 3.355 1.00 38.60 ATOM 585 CA ASP 38 -15.770 33.261 1.614 1.00 2.12 ATOM 586 HA ASP 38 -16.733 33.636 1.292 1.00 51.01 ATOM 587 CB ASP 38 -15.068 34.321 2.465 1.00 54.11 ATOM 588 HB1 ASP 38 -14.496 34.987 1.828 1.00 38.60 ATOM 589 HB2 ASP 38 -14.394 33.838 3.158 1.00 55.54 ATOM 590 CG ASP 38 -16.045 35.163 3.262 1.00 52.21 ATOM 591 OD1 ASP 38 -16.863 34.580 4.004 1.00 42.03 ATOM 592 OD2 ASP 38 -15.992 36.406 3.143 1.00 35.52 ATOM 593 C ASP 38 -14.938 32.955 0.373 1.00 63.21 ATOM 594 O ASP 38 -15.118 33.572 -0.677 1.00 12.31 ATOM 595 N LYS 39 -14.025 31.998 0.500 1.00 4.13 ATOM 596 HN LYS 39 -13.905 31.548 1.368 1.00 38.60 ATOM 597 CA LYS 39 -13.164 31.609 -0.610 1.00 63.42 ATOM 598 HA LYS 39 -12.742 32.501 -1.044 1.00 3.13 ATOM 599 CB LYS 39 -12.017 30.728 -0.109 1.00 31.41 ATOM 600 HB1 LYS 39 -12.431 29.871 0.403 1.00 38.60 ATOM 601 HB2 LYS 39 -11.435 31.306 0.588 1.00 65.13 ATOM 602 CG LYS 39 -11.103 30.231 -1.216 1.00 1.34 ATOM 603 HG1 LYS 39 -10.856 31.050 -1.874 1.00 38.60 ATOM 604 HG2 LYS 39 -11.631 29.471 -1.763 1.00 4.20 ATOM 605 CD LYS 39 -9.833 29.614 -0.655 1.00 21.32 ATOM 606 HD1 LYS 39 -9.508 28.832 -1.326 1.00 38.60 ATOM 607 HD2 LYS 39 -10.025 29.185 0.321 1.00 51.20 ATOM 608 CE LYS 39 -8.719 30.642 -0.536 1.00 4.15 ATOM 609 HE1 LYS 39 -8.733 31.301 -1.395 1.00 38.60 ATOM 610 HE2 LYS 39 -7.775 30.118 -0.510 1.00 64.32 ATOM 611 NZ LYS 39 -8.845 31.455 0.706 1.00 64.02 ATOM 612 HZ1 LYS 39 -7.934 31.910 0.921 1.00 71.24 ATOM 613 HZ2 LYS 39 -9.117 30.860 1.518 1.00 70.42 ATOM 614 HZ3 LYS 39 -9.560 32.197 0.576 1.00 43.22 ATOM 615 C LYS 39 -13.958 30.867 -1.680 1.00 73.14 ATOM 616 O LYS 39 -13.586 30.867 -2.854 1.00 72.22 ATOM 617 N ILE 40 -15.053 30.238 -1.268 1.00 34.40 ATOM 618 HN ILE 40 -15.298 30.266 -0.327 1.00 38.60 ATOM 619 CA ILE 40 -15.901 29.495 -2.192 1.00 70.14 ATOM 620 HA ILE 40 -15.282 28.772 -2.712 1.00 51.14 ATOM 621 CB ILE 40 -17.013 28.732 -1.448 1.00 0.50 ATOM 622 HB ILE 40 -17.643 29.445 -0.944 1.00 70.53 ATOM 623 CG1 ILE 40 -16.406 27.782 -0.414 1.00 64.13 ATOM 624 HG11 ILE 40 -15.801 28.340 0.282 1.00 38.60 ATOM 625 HG12 ILE 40 -15.785 27.060 -0.920 1.00 24.31 ATOM 626 CG2 ILE 40 -17.882 27.966 -2.434 1.00 45.24 ATOM 627 HG21 ILE 40 -17.859 26.909 -2.232 1.00 31.35 ATOM 628 HG22 ILE 40 -17.562 28.120 -3.446 1.00 63.11 ATOM 629 HG23 ILE 40 -18.900 28.311 -2.336 1.00 15.54 ATOM 630 CD1 ILE 40 -17.439 27.025 0.391 1.00 4.54 ATOM 631 HD11 ILE 40 -17.990 26.356 -0.242 1.00 54.30 ATOM 632 HD12 ILE 40 -18.122 27.725 0.848 1.00 33.50 ATOM 633 HD13 ILE 40 -16.943 26.458 1.165 1.00 72.14 ATOM 634 C ILE 40 -16.538 30.423 -3.221 1.00 44.13 ATOM 635 O ILE 40 -16.730 30.047 -4.378 1.00 2.13 ATOM 636 N VAL 41 -16.861 31.639 -2.793 1.00 54.10 ATOM 637 HN VAL 41 -16.702 31.889 -1.854 1.00 38.60 ATOM 638 CA VAL 41 -17.474 32.623 -3.677 1.00 43.35 ATOM 639 HA VAL 41 -17.930 32.107 -4.517 1.00 44.53 ATOM 640 CB VAL 41 -18.580 33.416 -2.955 1.00 64.23 ATOM 641 HB VAL 41 -18.125 34.023 -2.183 1.00 55.51 ATOM 642 CG1 VAL 41 -19.295 34.342 -3.927 1.00 62.44 ATOM 643 HG11 VAL 41 -18.609 35.086 -4.301 1.00 70.40 ATOM 644 HG12 VAL 41 -20.110 34.841 -3.420 1.00 24.43 ATOM 645 HG13 VAL 41 -19.689 33.768 -4.755 1.00 13.50 ATOM 646 CG2 VAL 41 -19.564 32.468 -2.287 1.00 22.11 ATOM 647 HG21 VAL 41 -19.044 31.825 -1.591 1.00 4.31 ATOM 648 HG22 VAL 41 -20.058 31.864 -3.035 1.00 10.32 ATOM 649 HG23 VAL 41 -20.298 33.045 -1.747 1.00 64.22 ATOM 650 C VAL 41 -16.434 33.599 -4.217 1.00 52.12 ATOM 651 O VAL 41 -16.561 34.103 -5.332 1.00 70.23 ATOM 652 N ASN 42 -15.405 33.861 -3.418 1.00 12.13 ATOM 653 HN ASN 42 -15.358 33.444 -2.528 1.00 38.60 ATOM 654 CA ASN 42 -14.342 34.777 -3.815 1.00 54.32 ATOM 655 HA ASN 42 -14.798 35.712 -4.120 1.00 10.11 ATOM 656 CB ASN 42 -13.396 35.034 -2.641 1.00 32.04 ATOM 657 HB1 ASN 42 -12.409 35.281 -3.014 1.00 38.60 ATOM 658 HB2 ASN 42 -13.322 34.155 -2.035 1.00 74.40 ATOM 659 CG ASN 42 -13.855 36.188 -1.770 1.00 43.23 ATOM 660 OD1 ASN 42 -13.059 37.047 -1.390 1.00 14.34 ATOM 661 ND2 ASN 42 -15.144 36.213 -1.451 1.00 25.50 ATOM 662 HD21 ASN 42 -15.744 35.511 -1.764 1.00 34.30 ATOM 663 HD22 ASN 42 -15.451 36.960 -0.896 1.00 31.11 ATOM 664 C ASN 42 -13.560 34.221 -5.001 1.00 0.20 ATOM 665 O ASN 42 -13.230 34.950 -5.938 1.00 73.51 ATOM 666 N LEU 43 -13.266 32.927 -4.954 1.00 31.52 ATOM 667 HN LEU 43 -13.550 32.392 -4.175 1.00 38.60 ATOM 668 CA LEU 43 -12.523 32.271 -6.024 1.00 42.24 ATOM 669 HA LEU 43 -11.647 32.869 -6.213 1.00 22.13 ATOM 670 CB LEU 43 -12.108 30.863 -5.596 1.00 22.43 ATOM 671 HB1 LEU 43 -11.971 30.248 -6.477 1.00 38.60 ATOM 672 HB2 LEU 43 -12.923 30.436 -5.033 1.00 21.43 ATOM 673 CG LEU 43 -10.834 30.765 -4.755 1.00 70.35 ATOM 674 HG LEU 43 -10.931 31.411 -3.899 1.00 3.32 ATOM 675 CD1 LEU 43 -10.630 29.342 -4.259 1.00 71.31 ATOM 676 HD11 LEU 43 -9.809 29.320 -3.558 1.00 0.15 ATOM 677 HD12 LEU 43 -10.406 28.693 -5.095 1.00 12.13 ATOM 678 HD13 LEU 43 -11.527 28.991 -3.771 1.00 62.14 ATOM 679 CD2 LEU 43 -9.628 31.229 -5.559 1.00 11.20 ATOM 680 HD21 LEU 43 -8.747 31.192 -4.933 1.00 1.31 ATOM 681 HD22 LEU 43 -9.771 32.241 -5.899 1.00 20.42 ATOM 682 HD23 LEU 43 -9.483 30.579 -6.409 1.00 60.51 ATOM 683 C LEU 43 -13.354 32.202 -7.301 1.00 51.24 ATOM 684 O LEU 43 -14.581 32.296 -7.278 1.00 54.42 ATOM 685 N PRO 44 -12.672 32.032 -8.444 1.00 23.35 ATOM 686 CA PRO 44 -13.327 31.943 -9.752 1.00 13.33 ATOM 687 HA PRO 44 -13.978 32.787 -9.927 1.00 61.52 ATOM 688 CB PRO 44 -12.158 31.984 -10.738 1.00 65.11 ATOM 689 HB1 PRO 44 -11.992 33.004 -11.051 1.00 38.60 ATOM 690 HB2 PRO 44 -12.363 31.370 -11.607 1.00 60.00 ATOM 691 CG PRO 44 -10.993 31.467 -9.966 1.00 41.21 ATOM 692 HG1 PRO 44 -10.073 31.874 -10.358 1.00 38.60 ATOM 693 HG2 PRO 44 -10.996 30.411 -10.031 1.00 32.33 ATOM 694 CD PRO 44 -11.208 31.912 -8.546 1.00 24.43 ATOM 695 HD1 PRO 44 -10.729 32.864 -8.371 1.00 38.60 ATOM 696 HD2 PRO 44 -10.828 31.177 -7.886 1.00 64.12 ATOM 697 C PRO 44 -14.119 30.651 -9.917 1.00 70.41 ATOM 698 O PRO 44 -14.068 29.766 -9.062 1.00 72.05 ATOM 699 N VAL 45 -14.850 30.547 -11.022 1.00 54.33 ATOM 700 HN VAL 45 -14.853 31.293 -11.667 1.00 38.60 ATOM 701 CA VAL 45 -15.652 29.362 -11.301 1.00 21.54 ATOM 702 HA VAL 45 -16.242 29.139 -10.418 1.00 41.02 ATOM 703 CB VAL 45 -16.615 29.599 -12.479 1.00 64.22 ATOM 704 HB VAL 45 -17.174 30.503 -12.285 1.00 5.41 ATOM 705 CG1 VAL 45 -15.838 29.789 -13.773 1.00 72.43 ATOM 706 HG11 VAL 45 -15.375 28.860 -14.076 1.00 14.21 ATOM 707 HG12 VAL 45 -15.075 30.543 -13.642 1.00 2.43 ATOM 708 HG13 VAL 45 -16.519 30.111 -14.547 1.00 35.23 ATOM 709 CG2 VAL 45 -17.599 28.446 -12.603 1.00 32.33 ATOM 710 HG21 VAL 45 -18.331 28.683 -13.362 1.00 63.12 ATOM 711 HG22 VAL 45 -18.105 28.294 -11.659 1.00 52.02 ATOM 712 HG23 VAL 45 -17.080 27.540 -12.881 1.00 22.31 ATOM 713 C VAL 45 -14.766 28.161 -11.616 1.00 14.24 ATOM 714 O VAL 45 -15.168 27.013 -11.424 1.00 1.31 ATOM 715 N ASP 46 -13.560 28.434 -12.100 1.00 3.15 ATOM 716 HN ASP 46 -13.288 29.369 -12.243 1.00 38.60 ATOM 717 CA ASP 46 -12.615 27.376 -12.440 1.00 53.41 ATOM 718 HA ASP 46 -13.171 26.571 -12.909 1.00 53.03 ATOM 719 CB ASP 46 -11.561 27.900 -13.417 1.00 21.24 ATOM 720 HB1 ASP 46 -10.722 28.329 -12.886 1.00 38.60 ATOM 721 HB2 ASP 46 -12.006 28.668 -14.035 1.00 23.51 ATOM 722 CG ASP 46 -11.040 26.817 -14.341 1.00 42.21 ATOM 723 OD1 ASP 46 -11.866 26.069 -14.904 1.00 53.04 ATOM 724 OD2 ASP 46 -9.806 26.719 -14.502 1.00 64.50 ATOM 725 C ASP 46 -11.939 26.828 -11.188 1.00 21.24 ATOM 726 O ASP 46 -12.083 25.651 -10.857 1.00 71.33 ATOM 727 N ASP 47 -11.200 27.688 -10.496 1.00 13.15 ATOM 728 HN ASP 47 -11.131 28.614 -10.810 1.00 38.60 ATOM 729 CA ASP 47 -10.501 27.290 -9.279 1.00 52.02 ATOM 730 HA ASP 47 -9.734 26.579 -9.553 1.00 74.42 ATOM 731 CB ASP 47 -9.843 28.505 -8.623 1.00 30.30 ATOM 732 HB1 ASP 47 -9.340 28.192 -7.717 1.00 38.60 ATOM 733 HB2 ASP 47 -10.600 29.222 -8.372 1.00 64.11 ATOM 734 CG ASP 47 -8.819 29.166 -9.524 1.00 62.33 ATOM 735 OD1 ASP 47 -8.365 30.280 -9.189 1.00 73.22 ATOM 736 OD2 ASP 47 -8.471 28.569 -10.565 1.00 53.44 ATOM 737 C ASP 47 -11.458 26.621 -8.297 1.00 4.42 ATOM 738 O ASP 47 -11.065 25.736 -7.537 1.00 22.11 ATOM 739 N PHE 48 -12.715 27.052 -8.317 1.00 23.12 ATOM 740 HN PHE 48 -12.972 27.789 -8.916 1.00 38.60 ATOM 741 CA PHE 48 -13.727 26.497 -7.426 1.00 73.43 ATOM 742 HA PHE 48 -13.346 26.534 -6.413 1.00 60.33 ATOM 743 CB PHE 48 -15.010 27.328 -7.497 1.00 21.05 ATOM 744 HB1 PHE 48 -15.287 27.455 -8.536 1.00 38.60 ATOM 745 HB2 PHE 48 -14.820 28.299 -7.062 1.00 13.44 ATOM 746 CG PHE 48 -16.164 26.713 -6.757 1.00 41.25 ATOM 747 CD1 PHE 48 -17.348 26.421 -7.415 1.00 11.11 ATOM 748 HD1 PHE 48 -17.441 26.638 -8.471 1.00 12.50 ATOM 749 CD2 PHE 48 -16.064 26.427 -5.406 1.00 34.15 ATOM 750 HD2 PHE 48 -15.146 26.650 -4.879 1.00 30.44 ATOM 751 CE1 PHE 48 -18.412 25.856 -6.737 1.00 3.21 ATOM 752 HE1 PHE 48 -19.330 25.633 -7.261 1.00 32.22 ATOM 753 CE2 PHE 48 -17.125 25.862 -4.722 1.00 64.53 ATOM 754 HE2 PHE 48 -17.025 25.654 -3.680 1.00 32.04 ATOM 755 CZ PHE 48 -18.299 25.575 -5.389 1.00 75.13 ATOM 756 HZ PHE 48 -19.129 25.134 -4.857 1.00 71.14 ATOM 757 C PHE 48 -14.029 25.044 -7.784 1.00 41.34 ATOM 758 O PHE 48 -13.968 24.159 -6.933 1.00 23.41 ATOM 759 N ASN 49 -14.355 24.809 -9.051 1.00 74.01 ATOM 760 HN ASN 49 -14.388 25.563 -9.688 1.00 38.60 ATOM 761 CA ASN 49 -14.668 23.465 -9.523 1.00 30.23 ATOM 762 HA ASN 49 -15.560 23.129 -9.009 1.00 43.43 ATOM 763 CB ASN 49 -14.924 23.478 -11.031 1.00 71.21 ATOM 764 HB1 ASN 49 -14.864 22.468 -11.420 1.00 38.60 ATOM 765 HB2 ASN 49 -14.170 24.085 -11.512 1.00 11.53 ATOM 766 CG ASN 49 -16.292 24.030 -11.381 1.00 14.45 ATOM 767 OD1 ASN 49 -17.266 23.807 -10.662 1.00 15.15 ATOM 768 ND2 ASN 49 -16.372 24.756 -12.490 1.00 5.12 ATOM 769 HD21 ASN 49 -15.560 24.903 -13.027 1.00 73.45 ATOM 770 HD22 ASN 49 -17.248 25.122 -12.733 1.00 50.20 ATOM 771 C ASN 49 -13.535 22.497 -9.196 1.00 71.52 ATOM 772 O ASN 49 -13.771 21.320 -8.924 1.00 1.03 ATOM 773 N GLU 50 -12.306 23.001 -9.226 1.00 4.24 ATOM 774 HN GLU 50 -12.168 23.947 -9.464 1.00 38.60 ATOM 775 CA GLU 50 -11.136 22.180 -8.933 1.00 15.42 ATOM 776 HA GLU 50 -11.319 21.174 -9.293 1.00 23.14 ATOM 777 CB GLU 50 -9.902 22.740 -9.643 1.00 72.35 ATOM 778 HB1 GLU 50 -9.020 22.205 -9.310 1.00 38.60 ATOM 779 HB2 GLU 50 -9.797 23.782 -9.381 1.00 71.11 ATOM 780 CG GLU 50 -9.975 22.640 -11.158 1.00 4.40 ATOM 781 HG1 GLU 50 -9.139 23.180 -11.579 1.00 38.60 ATOM 782 HG2 GLU 50 -10.897 23.090 -11.497 1.00 61.24 ATOM 783 CD GLU 50 -9.922 21.208 -11.652 1.00 21.31 ATOM 784 OE1 GLU 50 -10.988 20.666 -12.012 1.00 62.53 ATOM 785 OE2 GLU 50 -8.816 20.629 -11.678 1.00 21.32 ATOM 786 C GLU 50 -10.883 22.110 -7.430 1.00 13.54 ATOM 787 O GLU 50 -10.283 21.156 -6.933 1.00 51.22 ATOM 788 N LEU 51 -11.344 23.128 -6.710 1.00 74.43 ATOM 789 HN LEU 51 -11.773 23.883 -7.157 1.00 38.60 ATOM 790 CA LEU 51 -11.168 23.183 -5.263 1.00 52.32 ATOM 791 HA LEU 51 -10.114 23.115 -5.049 1.00 24.01 ATOM 792 CB LEU 51 -11.687 24.515 -4.717 1.00 64.14 ATOM 793 HB1 LEU 51 -12.731 24.595 -4.980 1.00 38.60 ATOM 794 HB2 LEU 51 -11.154 25.313 -5.211 1.00 0.30 ATOM 795 CG LEU 51 -11.559 24.717 -3.207 1.00 61.40 ATOM 796 HG LEU 51 -11.936 23.849 -2.689 1.00 4.42 ATOM 797 CD1 LEU 51 -10.101 24.894 -2.814 1.00 24.34 ATOM 798 HD11 LEU 51 -10.027 25.020 -1.742 1.00 24.13 ATOM 799 HD12 LEU 51 -9.693 25.766 -3.306 1.00 64.12 ATOM 800 HD13 LEU 51 -9.537 24.020 -3.109 1.00 41.40 ATOM 801 CD2 LEU 51 -12.384 25.914 -2.757 1.00 63.42 ATOM 802 HD21 LEU 51 -13.421 25.758 -3.019 1.00 63.33 ATOM 803 HD22 LEU 51 -12.023 26.811 -3.242 1.00 74.25 ATOM 804 HD23 LEU 51 -12.302 26.029 -1.685 1.00 32.14 ATOM 805 C LEU 51 -11.891 22.026 -4.582 1.00 23.42 ATOM 806 O LEU 51 -11.475 21.558 -3.521 1.00 2.54 ATOM 807 N LEU 52 -12.973 21.565 -5.199 1.00 52.30 ATOM 808 HN LEU 52 -13.274 21.984 -6.038 1.00 38.60 ATOM 809 CA LEU 52 -13.753 20.460 -4.653 1.00 71.35 ATOM 810 HA LEU 52 -13.992 20.704 -3.638 1.00 22.14 ATOM 811 CB LEU 52 -15.051 20.286 -5.444 1.00 41.13 ATOM 812 HB1 LEU 52 -15.515 19.365 -5.139 1.00 38.60 ATOM 813 HB2 LEU 52 -14.784 20.198 -6.489 1.00 51.22 ATOM 814 CG LEU 52 -16.080 21.408 -5.301 1.00 3.24 ATOM 815 HG LEU 52 -15.595 22.358 -5.476 1.00 44.32 ATOM 816 CD1 LEU 52 -17.187 21.252 -6.331 1.00 13.21 ATOM 817 HD11 LEU 52 -16.761 21.261 -7.325 1.00 13.31 ATOM 818 HD12 LEU 52 -17.886 22.071 -6.238 1.00 5.01 ATOM 819 HD13 LEU 52 -17.707 20.318 -6.172 1.00 62.32 ATOM 820 CD2 LEU 52 -16.657 21.425 -3.893 1.00 0.33 ATOM 821 HD21 LEU 52 -17.013 20.438 -3.626 1.00 15.30 ATOM 822 HD22 LEU 52 -17.478 22.114 -3.870 1.00 33.21 ATOM 823 HD23 LEU 52 -15.897 21.739 -3.194 1.00 62.02 ATOM 824 C LEU 52 -12.951 19.163 -4.680 1.00 20.45 ATOM 825 O LEU 52 -12.934 18.412 -3.704 1.00 42.23 ATOM 826 N ALA 53 -12.286 18.906 -5.801 1.00 51.44 ATOM 827 HN ALA 53 -12.334 19.545 -6.552 1.00 38.60 ATOM 828 CA ALA 53 -11.478 17.703 -5.953 1.00 35.52 ATOM 829 HA ALA 53 -11.990 16.879 -5.468 1.00 74.53 ATOM 830 CB ALA 53 -11.328 17.350 -7.425 1.00 62.22 ATOM 831 HB1 ALA 53 -12.307 17.232 -7.866 1.00 12.52 ATOM 832 HB2 ALA 53 -10.778 16.424 -7.524 1.00 5.32 ATOM 833 HB3 ALA 53 -10.798 18.141 -7.937 1.00 45.33 ATOM 834 C ALA 53 -10.109 17.875 -5.305 1.00 43.34 ATOM 835 O ALA 53 -9.467 16.899 -4.917 1.00 74.33 ATOM 836 N ARG 54 -9.666 19.123 -5.193 1.00 2.32 ATOM 837 HN ARG 54 -10.212 19.867 -5.534 1.00 38.60 ATOM 838 CA ARG 54 -8.371 19.423 -4.594 1.00 42.31 ATOM 839 HA ARG 54 -7.619 18.830 -5.103 1.00 73.23 ATOM 840 CB ARG 54 -8.042 20.908 -4.756 1.00 1.50 ATOM 841 HB1 ARG 54 -7.539 21.262 -3.862 1.00 38.60 ATOM 842 HB2 ARG 54 -8.954 21.464 -4.875 1.00 74.13 ATOM 843 CG ARG 54 -7.145 21.207 -5.946 1.00 3.41 ATOM 844 HG1 ARG 54 -7.732 21.144 -6.851 1.00 38.60 ATOM 845 HG2 ARG 54 -6.343 20.482 -5.983 1.00 61.02 ATOM 846 CD ARG 54 -6.536 22.597 -5.849 1.00 42.52 ATOM 847 HD1 ARG 54 -6.014 22.667 -4.903 1.00 38.60 ATOM 848 HD2 ARG 54 -7.330 23.330 -5.879 1.00 42.44 ATOM 849 NE ARG 54 -5.602 22.863 -6.940 1.00 24.01 ATOM 850 HE ARG 54 -5.672 22.309 -7.752 1.00 5.41 ATOM 851 CZ ARG 54 -4.673 23.812 -6.897 1.00 63.54 ATOM 852 NH1 ARG 54 -4.554 24.580 -5.824 1.00 13.52 ATOM 853 HH11 ARG 54 -5.150 24.472 -5.033 1.00 30.02 ATOM 854 HH12 ARG 54 -3.847 25.290 -5.802 1.00 11.31 ATOM 855 NH2 ARG 54 -3.859 23.992 -7.930 1.00 54.12 ATOM 856 HH21 ARG 54 -3.943 23.414 -8.744 1.00 55.21 ATOM 857 HH22 ARG 54 -3.158 24.707 -7.901 1.00 42.14 ATOM 858 C ARG 54 -8.355 19.046 -3.116 1.00 1.14 ATOM 859 O ARG 54 -7.354 18.545 -2.603 1.00 42.00 ATOM 860 N TYR 55 -9.470 19.291 -2.436 1.00 63.41 ATOM 861 HN TYR 55 -10.246 19.693 -2.891 1.00 38.60 ATOM 862 CA TYR 55 -9.583 18.980 -1.016 1.00 72.42 ATOM 863 HA TYR 55 -8.583 18.858 -0.615 1.00 23.55 ATOM 864 CB TYR 55 -10.272 20.127 -0.275 1.00 24.23 ATOM 865 HB1 TYR 55 -10.674 19.775 0.667 1.00 38.60 ATOM 866 HB2 TYR 55 -11.094 20.489 -0.881 1.00 23.13 ATOM 867 CG TYR 55 -9.359 21.299 0.008 1.00 54.25 ATOM 868 CD1 TYR 55 -8.882 21.540 1.290 1.00 41.53 ATOM 869 HD1 TYR 55 -9.157 20.872 2.088 1.00 42.11 ATOM 870 CD2 TYR 55 -8.974 22.165 -1.009 1.00 12.13 ATOM 871 HD2 TYR 55 -9.334 21.994 -2.014 1.00 2.01 ATOM 872 CE1 TYR 55 -8.049 22.611 1.552 1.00 21.20 ATOM 873 HE1 TYR 55 -7.688 22.781 2.556 1.00 44.24 ATOM 874 CE2 TYR 55 -8.140 23.237 -0.756 1.00 13.12 ATOM 875 HE2 TYR 55 -7.851 23.898 -1.559 1.00 20.52 ATOM 876 CZ TYR 55 -7.681 23.456 0.526 1.00 2.11 ATOM 877 OH TYR 55 -6.850 24.523 0.783 1.00 31.41 ATOM 878 HH TYR 55 -7.352 25.343 0.753 1.00 22.02 ATOM 879 C TYR 55 -10.359 17.683 -0.803 1.00 3.33 ATOM 880 O TYR 55 -11.131 17.244 -1.655 1.00 11.11 ATOM 881 N PRO 56 -10.149 17.055 0.364 1.00 53.12 ATOM 882 CA PRO 56 -10.820 15.801 0.719 1.00 63.21 ATOM 883 HA PRO 56 -10.683 15.048 -0.044 1.00 70.23 ATOM 884 CB PRO 56 -10.106 15.368 2.002 1.00 64.22 ATOM 885 HB1 PRO 56 -9.295 14.702 1.746 1.00 38.60 ATOM 886 HB2 PRO 56 -10.782 14.860 2.679 1.00 44.54 ATOM 887 CG PRO 56 -9.584 16.633 2.590 1.00 1.04 ATOM 888 HG1 PRO 56 -8.701 16.428 3.177 1.00 38.60 ATOM 889 HG2 PRO 56 -10.344 17.094 3.203 1.00 25.54 ATOM 890 CD PRO 56 -9.242 17.521 1.426 1.00 15.42 ATOM 891 HD1 PRO 56 -8.210 17.383 1.139 1.00 38.60 ATOM 892 HD2 PRO 56 -9.424 18.545 1.689 1.00 10.43 ATOM 893 C PRO 56 -12.310 15.993 0.978 1.00 50.02 ATOM 894 O PRO 56 -12.746 16.074 2.127 1.00 23.01 ATOM 895 N LEU 57 -13.088 16.065 -0.097 1.00 2.03 ATOM 896 HN LEU 57 -12.690 15.989 -0.995 1.00 38.60 ATOM 897 CA LEU 57 -14.531 16.247 0.014 1.00 1.32 ATOM 898 HA LEU 57 -14.790 16.381 1.050 1.00 74.23 ATOM 899 CB LEU 57 -14.967 17.498 -0.751 1.00 73.45 ATOM 900 HB1 LEU 57 -16.018 17.665 -0.559 1.00 38.60 ATOM 901 HB2 LEU 57 -14.829 17.310 -1.804 1.00 42.12 ATOM 902 CG LEU 57 -14.206 18.783 -0.426 1.00 52.45 ATOM 903 HG LEU 57 -13.173 18.666 -0.722 1.00 3.22 ATOM 904 CD1 LEU 57 -14.786 19.957 -1.200 1.00 52.12 ATOM 905 HD11 LEU 57 -14.141 20.814 -1.098 1.00 44.23 ATOM 906 HD12 LEU 57 -15.766 20.194 -0.817 1.00 2.11 ATOM 907 HD13 LEU 57 -14.872 19.694 -2.241 1.00 64.33 ATOM 908 CD2 LEU 57 -14.240 19.059 1.070 1.00 50.54 ATOM 909 HD21 LEU 57 -13.743 18.265 1.602 1.00 5.15 ATOM 910 HD22 LEU 57 -15.265 19.129 1.405 1.00 61.30 ATOM 911 HD23 LEU 57 -13.733 19.993 1.278 1.00 53.14 ATOM 912 C LEU 57 -15.276 15.027 -0.516 1.00 33.42 ATOM 913 O LEU 57 -14.933 14.483 -1.567 1.00 14.44 ATOM 914 N THR 58 -16.300 14.600 0.217 1.00 11.24 ATOM 915 HN THR 58 -16.518 15.055 1.060 1.00 38.60 ATOM 916 CA THR 58 -17.095 13.445 -0.179 1.00 31.32 ATOM 917 HA THR 58 -16.528 12.844 -0.885 1.00 54.12 ATOM 918 CB THR 58 -17.437 12.556 1.032 1.00 0.21 ATOM 919 HB THR 58 -18.149 11.797 0.733 1.00 11.41 ATOM 920 OG1 THR 58 -18.015 13.350 2.074 1.00 35.32 ATOM 921 HG1 THR 58 -18.562 12.796 2.637 1.00 72.21 ATOM 922 CG2 THR 58 -16.194 11.852 1.555 1.00 61.14 ATOM 923 HG21 THR 58 -15.775 11.230 0.777 1.00 43.10 ATOM 924 HG22 THR 58 -16.460 11.236 2.402 1.00 44.55 ATOM 925 HG23 THR 58 -15.463 12.587 1.862 1.00 3.34 ATOM 926 C THR 58 -18.389 13.875 -0.860 1.00 40.13 ATOM 927 O THR 58 -18.702 15.063 -0.922 1.00 53.44 ATOM 928 N GLU 59 -19.137 12.901 -1.369 1.00 63.04 ATOM 929 HN GLU 59 -18.827 11.967 -1.300 1.00 38.60 ATOM 930 CA GLU 59 -20.397 13.181 -2.047 1.00 14.13 ATOM 931 HA GLU 59 -20.174 13.750 -2.941 1.00 50.21 ATOM 932 CB GLU 59 -21.096 11.875 -2.433 1.00 3.44 ATOM 933 HB1 GLU 59 -22.170 12.025 -2.445 1.00 38.60 ATOM 934 HB2 GLU 59 -20.862 11.119 -1.694 1.00 3.42 ATOM 935 CG GLU 59 -20.692 11.351 -3.800 1.00 72.42 ATOM 936 HG1 GLU 59 -19.614 11.277 -3.842 1.00 38.60 ATOM 937 HG2 GLU 59 -21.033 12.047 -4.553 1.00 51.14 ATOM 938 CD GLU 59 -21.280 9.985 -4.097 1.00 65.54 ATOM 939 OE1 GLU 59 -20.973 9.031 -3.352 1.00 4.23 ATOM 940 OE2 GLU 59 -22.047 9.869 -5.076 1.00 43.52 ATOM 941 C GLU 59 -21.316 14.020 -1.162 1.00 64.41 ATOM 942 O GLU 59 -22.146 14.782 -1.657 1.00 64.02 ATOM 943 N SER 60 -21.160 13.872 0.150 1.00 74.03 ATOM 944 HN SER 60 -20.513 13.220 0.501 1.00 38.60 ATOM 945 CA SER 60 -21.978 14.612 1.104 1.00 22.32 ATOM 946 HA SER 60 -22.990 14.669 0.720 1.00 3.21 ATOM 947 CB SER 60 -22.009 13.887 2.451 1.00 62.50 ATOM 948 HB1 SER 60 -22.888 14.192 3.001 1.00 38.60 ATOM 949 HB2 SER 60 -21.123 14.130 3.025 1.00 53.34 ATOM 950 OG SER 60 -22.048 12.481 2.273 1.00 44.23 ATOM 951 HG SER 60 -22.946 12.205 2.073 1.00 22.24 ATOM 952 C SER 60 -21.447 16.030 1.290 1.00 70.05 ATOM 953 O SER 60 -22.217 16.974 1.461 1.00 54.24 ATOM 954 N GLN 61 -20.126 16.170 1.254 1.00 22.11 ATOM 955 HN GLN 61 -19.554 15.379 1.127 1.00 38.60 ATOM 956 CA GLN 61 -19.491 17.472 1.419 1.00 53.41 ATOM 957 HA GLN 61 -19.970 17.994 2.222 1.00 20.41 ATOM 958 CB GLN 61 -18.008 17.302 1.753 1.00 14.24 ATOM 959 HB1 GLN 61 -17.553 18.285 1.811 1.00 38.60 ATOM 960 HB2 GLN 61 -17.537 16.750 0.960 1.00 74.54 ATOM 961 CG GLN 61 -17.760 16.579 3.067 1.00 13.45 ATOM 962 HG1 GLN 61 -17.831 15.522 2.897 1.00 38.60 ATOM 963 HG2 GLN 61 -18.504 16.872 3.785 1.00 62.21 ATOM 964 CD GLN 61 -16.393 16.879 3.649 1.00 64.20 ATOM 965 OE1 GLN 61 -15.397 16.256 3.278 1.00 75.13 ATOM 966 NE2 GLN 61 -16.336 17.837 4.567 1.00 71.04 ATOM 967 HE21 GLN 61 -17.163 18.302 4.826 1.00 21.22 ATOM 968 HE22 GLN 61 -15.460 18.045 4.955 1.00 72.43 ATOM 969 C GLN 61 -19.647 18.317 0.158 1.00 22.05 ATOM 970 O GLN 61 -20.131 19.448 0.212 1.00 4.44 ATOM 971 N LEU 62 -19.233 17.761 -0.975 1.00 34.21 ATOM 972 HN LEU 62 -18.858 16.852 -0.953 1.00 38.60 ATOM 973 CA LEU 62 -19.326 18.463 -2.250 1.00 53.21 ATOM 974 HA LEU 62 -18.649 19.305 -2.216 1.00 63.13 ATOM 975 CB LEU 62 -18.920 17.535 -3.397 1.00 11.45 ATOM 976 HB1 LEU 62 -19.365 17.922 -4.309 1.00 38.60 ATOM 977 HB2 LEU 62 -19.355 16.559 -3.212 1.00 3.14 ATOM 978 CG LEU 62 -17.418 17.379 -3.633 1.00 24.20 ATOM 979 HG LEU 62 -16.894 18.235 -3.227 1.00 4.33 ATOM 980 CD1 LEU 62 -16.893 16.138 -2.928 1.00 62.42 ATOM 981 HD11 LEU 62 -17.429 15.265 -3.273 1.00 74.42 ATOM 982 HD12 LEU 62 -17.037 16.254 -1.878 1.00 54.21 ATOM 983 HD13 LEU 62 -15.842 16.020 -3.141 1.00 64.43 ATOM 984 CD2 LEU 62 -17.116 17.316 -5.123 1.00 61.12 ATOM 985 HD21 LEU 62 -16.049 17.225 -5.274 1.00 51.21 ATOM 986 HD22 LEU 62 -17.466 18.218 -5.602 1.00 3.30 ATOM 987 HD23 LEU 62 -17.614 16.461 -5.561 1.00 34.23 ATOM 988 C LEU 62 -20.740 18.987 -2.481 1.00 50.24 ATOM 989 O LEU 62 -20.929 20.067 -3.040 1.00 5.41 ATOM 990 N ALA 63 -21.730 18.215 -2.046 1.00 53.12 ATOM 991 HN ALA 63 -21.524 17.347 -1.625 1.00 38.60 ATOM 992 CA ALA 63 -23.127 18.603 -2.202 1.00 4.31 ATOM 993 HA ALA 63 -23.331 18.712 -3.259 1.00 61.32 ATOM 994 CB ALA 63 -24.041 17.515 -1.658 1.00 3.40 ATOM 995 HB1 ALA 63 -25.073 17.787 -1.830 1.00 10.24 ATOM 996 HB2 ALA 63 -23.872 17.394 -0.597 1.00 42.30 ATOM 997 HB3 ALA 63 -23.828 16.584 -2.162 1.00 33.51 ATOM 998 C ALA 63 -23.408 19.931 -1.506 1.00 33.51 ATOM 999 O ALA 63 -24.208 20.736 -1.983 1.00 52.45 ATOM 1000 N LEU 64 -22.747 20.152 -0.375 1.00 35.00 ATOM 1001 HN LEU 64 -22.127 19.470 -0.031 1.00 38.60 ATOM 1002 CA LEU 64 -22.927 21.382 0.388 1.00 54.30 ATOM 1003 HA LEU 64 -23.978 21.646 0.374 1.00 65.43 ATOM 1004 CB LEU 64 -22.499 21.172 1.841 1.00 21.33 ATOM 1005 HB1 LEU 64 -21.473 20.828 1.821 1.00 38.60 ATOM 1006 HB2 LEU 64 -23.104 20.371 2.250 1.00 44.44 ATOM 1007 CG LEU 64 -22.600 22.394 2.755 1.00 61.14 ATOM 1008 HG LEU 64 -22.575 23.303 2.175 1.00 51.43 ATOM 1009 CD1 LEU 64 -23.918 22.386 3.513 1.00 52.23 ATOM 1010 HD11 LEU 64 -23.865 21.709 4.356 1.00 13.12 ATOM 1011 HD12 LEU 64 -24.720 22.071 2.856 1.00 15.15 ATOM 1012 HD13 LEU 64 -24.129 23.376 3.858 1.00 35.43 ATOM 1013 CD2 LEU 64 -21.426 22.435 3.722 1.00 33.14 ATOM 1014 HD21 LEU 64 -20.544 21.987 3.283 1.00 24.32 ATOM 1015 HD22 LEU 64 -21.675 21.925 4.626 1.00 75.03 ATOM 1016 HD23 LEU 64 -21.209 23.465 3.958 1.00 71.14 ATOM 1017 C LEU 64 -22.130 22.527 -0.229 1.00 23.14 ATOM 1018 O LEU 64 -22.658 23.616 -0.452 1.00 51.11 ATOM 1019 N VAL 65 -20.854 22.272 -0.503 1.00 74.14 ATOM 1020 HN VAL 65 -20.500 21.374 -0.313 1.00 38.60 ATOM 1021 CA VAL 65 -19.984 23.280 -1.098 1.00 31.44 ATOM 1022 HA VAL 65 -19.839 24.066 -0.371 1.00 72.22 ATOM 1023 CB VAL 65 -18.607 22.690 -1.458 1.00 13.44 ATOM 1024 HB VAL 65 -18.747 21.955 -2.235 1.00 33.52 ATOM 1025 CG1 VAL 65 -17.679 23.779 -1.975 1.00 73.33 ATOM 1026 HG11 VAL 65 -17.715 24.636 -1.324 1.00 33.24 ATOM 1027 HG12 VAL 65 -17.997 24.061 -2.958 1.00 3.35 ATOM 1028 HG13 VAL 65 -16.663 23.412 -2.024 1.00 11.24 ATOM 1029 CG2 VAL 65 -17.998 21.987 -0.254 1.00 72.12 ATOM 1030 HG21 VAL 65 -16.931 21.890 -0.386 1.00 25.41 ATOM 1031 HG22 VAL 65 -18.423 21.007 -0.158 1.00 52.24 ATOM 1032 HG23 VAL 65 -18.191 22.553 0.649 1.00 62.21 ATOM 1033 C VAL 65 -20.612 23.878 -2.351 1.00 72.13 ATOM 1034 O VAL 65 -20.393 25.046 -2.671 1.00 2.54 ATOM 1035 N ARG 66 -21.395 23.069 -3.058 1.00 42.11 ATOM 1036 HN ARG 66 -21.506 22.131 -2.783 1.00 38.60 ATOM 1037 CA ARG 66 -22.055 23.518 -4.278 1.00 2.41 ATOM 1038 HA ARG 66 -21.315 24.005 -4.904 1.00 11.04 ATOM 1039 CB ARG 66 -22.648 22.326 -5.031 1.00 13.23 ATOM 1040 HB1 ARG 66 -23.539 22.648 -5.561 1.00 38.60 ATOM 1041 HB2 ARG 66 -22.929 21.558 -4.323 1.00 62.21 ATOM 1042 CG ARG 66 -21.696 21.710 -6.043 1.00 34.34 ATOM 1043 HG1 ARG 66 -20.985 21.090 -5.518 1.00 38.60 ATOM 1044 HG2 ARG 66 -21.169 22.496 -6.569 1.00 31.00 ATOM 1045 CD ARG 66 -22.439 20.854 -7.056 1.00 71.45 ATOM 1046 HD1 ARG 66 -23.261 20.349 -6.562 1.00 38.60 ATOM 1047 HD2 ARG 66 -21.753 20.116 -7.446 1.00 11.31 ATOM 1048 NE ARG 66 -22.955 21.646 -8.169 1.00 50.51 ATOM 1049 HE ARG 66 -22.649 22.580 -8.252 1.00 4.43 ATOM 1050 CZ ARG 66 -23.807 21.177 -9.074 1.00 22.54 ATOM 1051 NH1 ARG 66 -24.236 19.925 -8.997 1.00 74.51 ATOM 1052 HH11 ARG 66 -23.933 19.313 -8.270 1.00 12.55 ATOM 1053 HH12 ARG 66 -24.881 19.581 -9.683 1.00 3.52 ATOM 1054 NH2 ARG 66 -24.231 21.960 -10.057 1.00 71.21 ATOM 1055 HH21 ARG 66 -23.910 22.907 -10.120 1.00 4.21 ATOM 1056 HH22 ARG 66 -24.874 21.608 -10.741 1.00 42.23 ATOM 1057 C ARG 66 -23.152 24.531 -3.961 1.00 65.04 ATOM 1058 O ARG 66 -23.279 25.554 -4.635 1.00 31.32 ATOM 1059 N ASP 67 -23.941 24.239 -2.933 1.00 65.45 ATOM 1060 HN ASP 67 -23.796 23.401 -2.432 1.00 38.60 ATOM 1061 CA ASP 67 -25.026 25.123 -2.527 1.00 52.31 ATOM 1062 HA ASP 67 -25.621 25.344 -3.407 1.00 14.01 ATOM 1063 CB ASP 67 -25.909 24.437 -1.483 1.00 64.23 ATOM 1064 HB1 ASP 67 -25.467 24.537 -0.499 1.00 38.60 ATOM 1065 HB2 ASP 67 -25.988 23.386 -1.724 1.00 20.41 ATOM 1066 CG ASP 67 -27.312 25.009 -1.445 1.00 1.33 ATOM 1067 OD1 ASP 67 -27.957 25.072 -2.512 1.00 73.53 ATOM 1068 OD2 ASP 67 -27.765 25.394 -0.347 1.00 11.22 ATOM 1069 C ASP 67 -24.479 26.433 -1.967 1.00 35.30 ATOM 1070 O ASP 67 -24.979 27.512 -2.286 1.00 14.04 ATOM 1071 N ILE 68 -23.452 26.329 -1.131 1.00 1.40 ATOM 1072 HN ILE 68 -23.086 25.438 -0.933 1.00 38.60 ATOM 1073 CA ILE 68 -22.838 27.505 -0.527 1.00 1.31 ATOM 1074 HA ILE 68 -23.559 27.949 0.147 1.00 20.32 ATOM 1075 CB ILE 68 -21.581 27.132 0.280 1.00 24.03 ATOM 1076 HB ILE 68 -20.866 26.683 -0.399 1.00 61.45 ATOM 1077 CG1 ILE 68 -21.933 26.128 1.380 1.00 73.02 ATOM 1078 HG11 ILE 68 -22.644 25.406 1.026 1.00 38.60 ATOM 1079 HG12 ILE 68 -22.374 26.653 2.217 1.00 65.54 ATOM 1080 CG2 ILE 68 -20.945 28.379 0.878 1.00 73.42 ATOM 1081 HG21 ILE 68 -20.504 28.979 0.097 1.00 22.24 ATOM 1082 HG22 ILE 68 -20.169 28.094 1.577 1.00 54.31 ATOM 1083 HG23 ILE 68 -21.694 28.961 1.399 1.00 11.33 ATOM 1084 CD1 ILE 68 -20.739 25.363 1.905 1.00 21.12 ATOM 1085 HD11 ILE 68 -19.816 25.827 1.581 1.00 73.40 ATOM 1086 HD12 ILE 68 -20.774 24.348 1.543 1.00 20.25 ATOM 1087 HD13 ILE 68 -20.770 25.356 2.984 1.00 45.12 ATOM 1088 C ILE 68 -22.461 28.534 -1.587 1.00 43.32 ATOM 1089 O ILE 68 -22.711 29.729 -1.424 1.00 60.33 ATOM 1090 N ARG 69 -21.859 28.063 -2.674 1.00 63.40 ATOM 1091 HN ARG 69 -21.681 27.095 -2.749 1.00 38.60 ATOM 1092 CA ARG 69 -21.447 28.942 -3.762 1.00 34.40 ATOM 1093 HA ARG 69 -20.851 29.744 -3.343 1.00 4.24 ATOM 1094 CB ARG 69 -20.595 28.172 -4.773 1.00 51.50 ATOM 1095 HB1 ARG 69 -21.193 27.381 -5.209 1.00 38.60 ATOM 1096 HB2 ARG 69 -19.769 27.723 -4.255 1.00 2.25 ATOM 1097 CG ARG 69 -20.036 29.044 -5.886 1.00 75.43 ATOM 1098 HG1 ARG 69 -19.071 28.654 -6.178 1.00 38.60 ATOM 1099 HG2 ARG 69 -19.914 30.059 -5.529 1.00 4.44 ATOM 1100 CD ARG 69 -20.957 29.059 -7.097 1.00 0.13 ATOM 1101 HD1 ARG 69 -20.895 30.033 -7.560 1.00 38.60 ATOM 1102 HD2 ARG 69 -21.971 28.882 -6.788 1.00 3.21 ATOM 1103 NE ARG 69 -20.580 28.052 -8.084 1.00 65.43 ATOM 1104 HE ARG 69 -19.682 27.679 -8.037 1.00 14.14 ATOM 1105 CZ ARG 69 -21.383 27.642 -9.060 1.00 25.21 ATOM 1106 NH1 ARG 69 -22.601 28.151 -9.178 1.00 20.10 ATOM 1107 HH11 ARG 69 -22.942 28.846 -8.551 1.00 34.42 ATOM 1108 HH12 ARG 69 -23.199 27.831 -9.916 1.00 53.52 ATOM 1109 NH2 ARG 69 -20.967 26.721 -9.920 1.00 41.02 ATOM 1110 HH21 ARG 69 -20.047 26.332 -9.836 1.00 41.15 ATOM 1111 HH22 ARG 69 -21.571 26.410 -10.657 1.00 2.22 ATOM 1112 C ARG 69 -22.662 29.547 -4.460 1.00 45.13 ATOM 1113 O ARG 69 -22.744 30.762 -4.640 1.00 55.15 ATOM 1114 N ARG 70 -23.600 28.692 -4.852 1.00 33.44 ATOM 1115 HN ARG 70 -23.474 27.727 -4.683 1.00 38.60 ATOM 1116 CA ARG 70 -24.809 29.142 -5.532 1.00 23.23 ATOM 1117 HA ARG 70 -24.520 29.558 -6.487 1.00 41.05 ATOM 1118 CB ARG 70 -25.754 27.963 -5.771 1.00 41.13 ATOM 1119 HB1 ARG 70 -26.033 27.543 -4.814 1.00 38.60 ATOM 1120 HB2 ARG 70 -25.230 27.204 -6.338 1.00 14.13 ATOM 1121 CG ARG 70 -27.028 28.344 -6.508 1.00 20.15 ATOM 1122 HG1 ARG 70 -27.395 29.301 -6.170 1.00 38.60 ATOM 1123 HG2 ARG 70 -27.775 27.591 -6.305 1.00 72.33 ATOM 1124 CD ARG 70 -26.807 28.402 -8.011 1.00 5.02 ATOM 1125 HD1 ARG 70 -25.958 29.039 -8.222 1.00 38.60 ATOM 1126 HD2 ARG 70 -27.690 28.823 -8.470 1.00 44.33 ATOM 1127 NE ARG 70 -26.566 27.079 -8.580 1.00 65.12 ATOM 1128 HE ARG 70 -26.549 26.308 -7.966 1.00 14.34 ATOM 1129 CZ ARG 70 -26.369 26.861 -9.876 1.00 4.04 ATOM 1130 NH1 ARG 70 -26.384 27.874 -10.731 1.00 65.34 ATOM 1131 HH11 ARG 70 -26.542 28.811 -10.423 1.00 63.21 ATOM 1132 HH12 ARG 70 -26.234 27.701 -11.707 1.00 43.02 ATOM 1133 NH2 ARG 70 -26.156 25.628 -10.317 1.00 44.14 ATOM 1134 HH21 ARG 70 -26.143 24.859 -9.675 1.00 54.23 ATOM 1135 HH22 ARG 70 -26.007 25.461 -11.294 1.00 43.13 ATOM 1136 C ARG 70 -25.520 30.221 -4.720 1.00 25.32 ATOM 1137 O ARG 70 -25.894 31.266 -5.252 1.00 20.05 ATOM 1138 N ARG 71 -25.702 29.959 -3.430 1.00 13.13 ATOM 1139 HN ARG 71 -25.378 29.105 -3.060 1.00 38.60 ATOM 1140 CA ARG 71 -26.370 30.907 -2.545 1.00 65.50 ATOM 1141 HA ARG 71 -27.300 31.204 -3.003 1.00 20.21 ATOM 1142 CB ARG 71 -26.657 30.257 -1.190 1.00 62.42 ATOM 1143 HB1 ARG 71 -27.096 30.992 -0.526 1.00 38.60 ATOM 1144 HB2 ARG 71 -25.724 29.915 -0.764 1.00 22.34 ATOM 1145 CG ARG 71 -27.600 29.067 -1.273 1.00 4.31 ATOM 1146 HG1 ARG 71 -27.703 28.632 -0.290 1.00 38.60 ATOM 1147 HG2 ARG 71 -27.191 28.337 -1.950 1.00 34.03 ATOM 1148 CD ARG 71 -28.974 29.480 -1.776 1.00 60.13 ATOM 1149 HD1 ARG 71 -28.877 29.942 -2.746 1.00 38.60 ATOM 1150 HD2 ARG 71 -29.402 30.189 -1.082 1.00 33.35 ATOM 1151 NE ARG 71 -29.877 28.339 -1.901 1.00 24.42 ATOM 1152 HE ARG 71 -29.533 27.449 -1.654 1.00 4.51 ATOM 1153 CZ ARG 71 -31.131 28.437 -2.327 1.00 61.31 ATOM 1154 NH1 ARG 71 -31.628 29.617 -2.668 1.00 51.44 ATOM 1155 HH11 ARG 71 -31.077 30.449 -2.613 1.00 42.25 ATOM 1156 HH12 ARG 71 -32.575 29.682 -2.989 1.00 44.33 ATOM 1157 NH2 ARG 71 -31.890 27.352 -2.413 1.00 73.03 ATOM 1158 HH21 ARG 71 -31.520 26.457 -2.157 1.00 42.11 ATOM 1159 HH22 ARG 71 -32.837 27.423 -2.734 1.00 60.20 ATOM 1160 C ARG 71 -25.520 32.159 -2.350 1.00 55.44 ATOM 1161 O ARG 71 -26.044 33.269 -2.261 1.00 33.12 ATOM 1162 N GLY 72 -24.206 31.973 -2.285 1.00 65.13 ATOM 1163 HN GLY 72 -23.827 31.068 -2.344 1.00 38.60 ATOM 1164 CA GLY 72 -23.305 33.096 -2.101 1.00 13.10 ATOM 1165 HA1 GLY 72 -22.313 32.712 -1.949 1.00 38.60 ATOM 1166 HA2 GLY 72 -23.600 33.654 -1.222 1.00 0.41 ATOM 1167 C GLY 72 -23.290 34.029 -3.296 1.00 24.32 ATOM 1168 O GLY 72 -23.275 35.250 -3.140 1.00 65.10 ATOM 1169 N LYS 73 -23.292 33.453 -4.493 1.00 44.35 ATOM 1170 HN LYS 73 -23.299 32.471 -4.554 1.00 38.60 ATOM 1171 CA LYS 73 -23.277 34.240 -5.721 1.00 11.21 ATOM 1172 HA LYS 73 -22.382 34.844 -5.710 1.00 72.32 ATOM 1173 CB LYS 73 -23.275 33.318 -6.942 1.00 43.12 ATOM 1174 HB1 LYS 73 -24.256 33.310 -7.401 1.00 38.60 ATOM 1175 HB2 LYS 73 -23.041 32.307 -6.633 1.00 34.35 ATOM 1176 CG LYS 73 -22.269 33.721 -8.007 1.00 22.14 ATOM 1177 HG1 LYS 73 -22.453 34.747 -8.295 1.00 38.60 ATOM 1178 HG2 LYS 73 -22.405 33.076 -8.865 1.00 20.22 ATOM 1179 CD LYS 73 -20.841 33.596 -7.501 1.00 34.52 ATOM 1180 HD1 LYS 73 -20.735 32.680 -6.933 1.00 38.60 ATOM 1181 HD2 LYS 73 -20.616 34.440 -6.869 1.00 50.22 ATOM 1182 CE LYS 73 -19.844 33.571 -8.648 1.00 44.55 ATOM 1183 HE1 LYS 73 -20.014 32.682 -9.238 1.00 38.60 ATOM 1184 HE2 LYS 73 -18.845 33.545 -8.239 1.00 12.33 ATOM 1185 NZ LYS 73 -19.977 34.768 -9.525 1.00 33.01 ATOM 1186 HZ1 LYS 73 -19.961 35.643 -8.958 1.00 4.23 ATOM 1187 HZ2 LYS 73 -20.866 34.730 -10.062 1.00 24.44 ATOM 1188 HZ3 LYS 73 -19.186 34.798 -10.200 1.00 70.33 ATOM 1189 C LYS 73 -24.479 35.177 -5.781 1.00 12.33 ATOM 1190 O LYS 73 -24.441 36.209 -6.449 1.00 44.31 ATOM 1191 N ASN 74 -25.545 34.811 -5.076 1.00 70.12 ATOM 1192 HN ASN 74 -25.553 33.948 -4.607 1.00 38.60 ATOM 1193 CA ASN 74 -26.758 35.620 -5.049 1.00 32.12 ATOM 1194 HA ASN 74 -27.187 35.597 -6.042 1.00 73.41 ATOM 1195 CB ASN 74 -27.760 35.040 -4.048 1.00 52.34 ATOM 1196 HB1 ASN 74 -27.510 35.368 -3.046 1.00 38.60 ATOM 1197 HB2 ASN 74 -27.704 33.960 -4.080 1.00 73.41 ATOM 1198 CG ASN 74 -29.186 35.462 -4.347 1.00 43.44 ATOM 1199 OD1 ASN 74 -29.539 36.634 -4.214 1.00 1.20 ATOM 1200 ND2 ASN 74 -30.013 34.506 -4.754 1.00 43.31 ATOM 1201 HD21 ASN 74 -29.678 33.585 -4.844 1.00 61.24 ATOM 1202 HD22 ASN 74 -30.939 34.760 -4.952 1.00 60.40 ATOM 1203 C ASN 74 -26.439 37.067 -4.686 1.00 21.14 ATOM 1204 O ASN 74 -27.128 37.993 -5.114 1.00 1.10 ATOM 1205 N LYS 75 -25.389 37.254 -3.893 1.00 50.31 ATOM 1206 HN LYS 75 -24.892 36.481 -3.540 1.00 38.60 ATOM 1207 CA LYS 75 -24.976 38.588 -3.473 1.00 25.24 ATOM 1208 HA LYS 75 -25.866 39.198 -3.354 1.00 14.13 ATOM 1209 CB LYS 75 -24.236 38.517 -2.134 1.00 74.34 ATOM 1210 HB1 LYS 75 -23.183 38.331 -2.306 1.00 38.60 ATOM 1211 HB2 LYS 75 -24.641 37.687 -1.566 1.00 62.25 ATOM 1212 CG LYS 75 -24.366 39.779 -1.300 1.00 14.20 ATOM 1213 HG1 LYS 75 -25.331 40.239 -1.477 1.00 38.60 ATOM 1214 HG2 LYS 75 -23.587 40.466 -1.599 1.00 44.13 ATOM 1215 CD LYS 75 -24.206 39.487 0.182 1.00 22.34 ATOM 1216 HD1 LYS 75 -23.924 40.401 0.684 1.00 38.60 ATOM 1217 HD2 LYS 75 -23.431 38.746 0.330 1.00 61.51 ATOM 1218 CE LYS 75 -25.502 38.976 0.793 1.00 24.24 ATOM 1219 HE1 LYS 75 -25.273 38.514 1.742 1.00 38.60 ATOM 1220 HE2 LYS 75 -25.947 38.238 0.138 1.00 24.20 ATOM 1221 NZ LYS 75 -26.479 40.076 1.021 1.00 1.04 ATOM 1222 HZ1 LYS 75 -27.338 39.698 1.469 1.00 24.51 ATOM 1223 HZ2 LYS 75 -26.745 40.520 0.119 1.00 70.14 ATOM 1224 HZ3 LYS 75 -26.069 40.802 1.646 1.00 4.30 ATOM 1225 C LYS 75 -24.083 39.238 -4.525 1.00 25.43 ATOM 1226 O LYS 75 -24.244 40.414 -4.849 1.00 44.23 ATOM 1227 N VAL 76 -23.141 38.463 -5.056 1.00 13.44 ATOM 1228 HN VAL 76 -23.089 37.521 -4.781 1.00 38.60 ATOM 1229 CA VAL 76 -22.224 38.963 -6.073 1.00 75.02 ATOM 1230 HA VAL 76 -21.744 39.854 -5.684 1.00 4.13 ATOM 1231 CB VAL 76 -21.132 37.928 -6.401 1.00 41.11 ATOM 1232 HB VAL 76 -21.592 37.081 -6.896 1.00 63.24 ATOM 1233 CG1 VAL 76 -20.097 38.524 -7.343 1.00 1.20 ATOM 1234 HG11 VAL 76 -19.096 38.321 -6.981 1.00 22.14 ATOM 1235 HG12 VAL 76 -20.223 39.595 -7.432 1.00 21.22 ATOM 1236 HG13 VAL 76 -20.206 38.072 -8.311 1.00 14.32 ATOM 1237 CG2 VAL 76 -20.476 37.424 -5.125 1.00 4.24 ATOM 1238 HG21 VAL 76 -20.094 38.260 -4.555 1.00 4.32 ATOM 1239 HG22 VAL 76 -19.657 36.762 -5.375 1.00 60.23 ATOM 1240 HG23 VAL 76 -21.192 36.881 -4.531 1.00 33.30 ATOM 1241 C VAL 76 -22.969 39.323 -7.354 1.00 44.40 ATOM 1242 O VAL 76 -22.499 40.138 -8.148 1.00 75.02 ATOM 1243 N ALA 77 -24.132 38.711 -7.548 1.00 51.11 ATOM 1244 HN ALA 77 -24.444 38.033 -6.908 1.00 38.60 ATOM 1245 CA ALA 77 -24.943 38.969 -8.731 1.00 51.25 ATOM 1246 HA ALA 77 -24.424 38.583 -9.578 1.00 24.32 ATOM 1247 CB ALA 77 -26.275 38.242 -8.627 1.00 74.11 ATOM 1248 HB1 ALA 77 -26.844 38.393 -9.534 1.00 10.52 ATOM 1249 HB2 ALA 77 -26.833 38.623 -7.783 1.00 75.20 ATOM 1250 HB3 ALA 77 -26.096 37.186 -8.489 1.00 44.14 ATOM 1251 C ALA 77 -25.168 40.465 -8.927 1.00 74.41 ATOM 1252 O ALA 77 -25.316 40.937 -10.054 1.00 15.45 ATOM 1253 N ALA 78 -25.194 41.204 -7.823 1.00 21.10 ATOM 1254 HN ALA 78 -25.130 40.772 -6.941 1.00 38.60 ATOM 1255 CA ALA 78 -25.400 42.646 -7.874 1.00 30.02 ATOM 1256 HA ALA 78 -26.395 42.830 -8.256 1.00 33.21 ATOM 1257 CB ALA 78 -25.315 43.241 -6.476 1.00 31.21 ATOM 1258 HB1 ALA 78 -24.323 43.087 -6.074 1.00 24.22 ATOM 1259 HB2 ALA 78 -26.039 42.757 -5.837 1.00 60.22 ATOM 1260 HB3 ALA 78 -25.527 44.300 -6.517 1.00 42.04 ATOM 1261 C ALA 78 -24.386 43.313 -8.797 1.00 54.21 ATOM 1262 O ALA 78 -24.652 44.375 -9.360 1.00 63.22 ATOM 1263 N GLN 79 -23.225 42.684 -8.947 1.00 12.03 ATOM 1264 HN GLN 79 -23.037 41.863 -8.444 1.00 38.60 ATOM 1265 CA GLN 79 -22.172 43.219 -9.801 1.00 63.12 ATOM 1266 HA GLN 79 -22.308 44.290 -9.904 1.00 50.54 ATOM 1267 CB GLN 79 -20.800 42.966 -9.174 1.00 3.54 ATOM 1268 HB1 GLN 79 -20.024 43.264 -9.870 1.00 38.60 ATOM 1269 HB2 GLN 79 -20.702 41.908 -8.977 1.00 63.11 ATOM 1270 CG GLN 79 -20.583 43.710 -7.865 1.00 60.15 ATOM 1271 HG1 GLN 79 -19.713 43.298 -7.376 1.00 38.60 ATOM 1272 HG2 GLN 79 -21.447 43.573 -7.229 1.00 71.04 ATOM 1273 CD GLN 79 -20.361 45.196 -8.068 1.00 72.34 ATOM 1274 OE1 GLN 79 -20.290 45.676 -9.200 1.00 64.42 ATOM 1275 NE2 GLN 79 -20.251 45.934 -6.970 1.00 31.41 ATOM 1276 HE21 GLN 79 -20.316 45.497 -6.091 1.00 31.24 ATOM 1277 HE22 GLN 79 -20.107 46.897 -7.081 1.00 25.43 ATOM 1278 C GLN 79 -22.230 42.596 -11.192 1.00 51.01 ATOM 1279 O GLN 79 -21.953 43.258 -12.191 1.00 40.12 ATOM 1280 N ASN 80 -22.592 41.318 -11.248 1.00 53.53 ATOM 1281 HN ASN 80 -22.811 40.836 -10.420 1.00 38.60 ATOM 1282 CA ASN 80 -22.686 40.606 -12.517 1.00 71.32 ATOM 1283 HA ASN 80 -22.225 41.199 -13.297 1.00 21.51 ATOM 1284 CB ASN 80 -21.944 39.270 -12.432 1.00 11.40 ATOM 1285 HB1 ASN 80 -20.897 39.462 -12.242 1.00 38.60 ATOM 1286 HB2 ASN 80 -22.039 38.746 -13.374 1.00 65.43 ATOM 1287 CG ASN 80 -22.485 38.377 -11.332 1.00 53.42 ATOM 1288 OD1 ASN 80 -23.497 37.699 -11.510 1.00 14.33 ATOM 1289 ND2 ASN 80 -21.811 38.374 -10.188 1.00 35.30 ATOM 1290 HD21 ASN 80 -21.012 38.941 -10.103 1.00 40.41 ATOM 1291 HD22 ASN 80 -22.136 37.793 -9.470 1.00 61.13 ATOM 1292 C ASN 80 -24.143 40.367 -12.901 1.00 34.05 ATOM 1293 O ASN 80 -24.512 39.274 -13.330 1.00 60.44 ATOM 1294 N TYR 81 -24.967 41.397 -12.742 1.00 72.14 ATOM 1295 HN TYR 81 -24.615 42.260 -12.425 1.00 38.60 ATOM 1296 CA TYR 81 -26.385 41.299 -13.070 1.00 44.21 ATOM 1297 HA TYR 81 -26.714 40.288 -12.854 1.00 63.44 ATOM 1298 CB TYR 81 -27.195 42.279 -12.219 1.00 61.34 ATOM 1299 HB1 TYR 81 -27.137 43.272 -12.652 1.00 38.60 ATOM 1300 HB2 TYR 81 -26.777 42.316 -11.226 1.00 61.25 ATOM 1301 CG TYR 81 -28.651 41.898 -12.079 1.00 74.32 ATOM 1302 CD1 TYR 81 -29.024 40.724 -11.435 1.00 64.24 ATOM 1303 HD1 TYR 81 -28.258 40.077 -11.029 1.00 33.35 ATOM 1304 CD2 TYR 81 -29.655 42.711 -12.591 1.00 31.50 ATOM 1305 HD2 TYR 81 -29.386 43.629 -13.096 1.00 31.33 ATOM 1306 CE1 TYR 81 -30.353 40.371 -11.305 1.00 40.15 ATOM 1307 HE1 TYR 81 -30.622 39.454 -10.801 1.00 21.44 ATOM 1308 CE2 TYR 81 -30.987 42.367 -12.464 1.00 61.43 ATOM 1309 HE2 TYR 81 -31.752 43.013 -12.868 1.00 42.04 ATOM 1310 CZ TYR 81 -31.331 41.196 -11.821 1.00 62.11 ATOM 1311 OH TYR 81 -32.656 40.849 -11.694 1.00 54.01 ATOM 1312 HH TYR 81 -32.941 40.974 -10.784 1.00 4.14 ATOM 1313 C TYR 81 -26.622 41.578 -14.551 1.00 61.42 ATOM 1314 O TYR 81 -25.735 42.065 -15.253 1.00 20.35 ATOM 1315 N ARG 82 -27.826 41.265 -15.020 1.00 4.22 ATOM 1316 HN ARG 82 -28.483 40.841 -14.425 1.00 38.60 ATOM 1317 CA ARG 82 -28.181 41.481 -16.417 1.00 60.43 ATOM 1318 HA ARG 82 -27.557 40.839 -17.023 1.00 44.42 ATOM 1319 CB ARG 82 -29.647 41.114 -16.655 1.00 52.40 ATOM 1320 HB1 ARG 82 -29.831 40.142 -16.215 1.00 38.60 ATOM 1321 HB2 ARG 82 -29.820 41.055 -17.720 1.00 50.20 ATOM 1322 CG ARG 82 -30.628 42.116 -16.068 1.00 10.21 ATOM 1323 HG1 ARG 82 -30.709 42.955 -16.732 1.00 38.60 ATOM 1324 HG2 ARG 82 -30.271 42.451 -15.115 1.00 1.12 ATOM 1325 CD ARG 82 -32.008 41.504 -15.886 1.00 21.41 ATOM 1326 HD1 ARG 82 -32.320 41.057 -16.822 1.00 38.60 ATOM 1327 HD2 ARG 82 -32.700 42.290 -15.618 1.00 53.13 ATOM 1328 NE ARG 82 -32.022 40.488 -14.837 1.00 22.04 ATOM 1329 HE ARG 82 -31.204 40.363 -14.309 1.00 22.21 ATOM 1330 CZ ARG 82 -33.067 39.709 -14.582 1.00 31.13 ATOM 1331 NH1 ARG 82 -34.177 39.828 -15.297 1.00 11.31 ATOM 1332 HH11 ARG 82 -34.253 40.498 -16.033 1.00 62.24 ATOM 1333 HH12 ARG 82 -34.960 39.234 -15.098 1.00 14.53 ATOM 1334 NH2 ARG 82 -33.003 38.808 -13.610 1.00 31.40 ATOM 1335 HH21 ARG 82 -32.167 38.713 -13.066 1.00 21.51 ATOM 1336 HH22 ARG 82 -33.790 38.219 -13.416 1.00 31.12 ATOM 1337 C ARG 82 -27.935 42.931 -16.823 1.00 75.23 ATOM 1338 O ARG 82 -27.599 43.772 -15.990 1.00 2.12 ATOM 1339 N LYS 83 -28.106 43.216 -18.110 1.00 3.52 ATOM 1340 HN LYS 83 -28.375 42.507 -18.737 1.00 38.60 ATOM 1341 CA LYS 83 -27.904 44.564 -18.628 1.00 2.30 ATOM 1342 HA LYS 83 -28.059 44.536 -19.697 1.00 14.24 ATOM 1343 CB LYS 83 -28.912 45.530 -18.001 1.00 51.15 ATOM 1344 HB1 LYS 83 -28.690 46.527 -18.352 1.00 38.60 ATOM 1345 HB2 LYS 83 -28.808 45.512 -16.928 1.00 23.14 ATOM 1346 CG LYS 83 -30.354 45.226 -18.368 1.00 34.44 ATOM 1347 HG1 LYS 83 -30.515 44.161 -18.329 1.00 38.60 ATOM 1348 HG2 LYS 83 -30.535 45.567 -19.378 1.00 24.02 ATOM 1349 CD LYS 83 -31.326 45.901 -17.415 1.00 12.41 ATOM 1350 HD1 LYS 83 -30.909 45.930 -16.415 1.00 38.60 ATOM 1351 HD2 LYS 83 -32.241 45.327 -17.400 1.00 21.03 ATOM 1352 CE LYS 83 -31.654 47.317 -17.864 1.00 42.13 ATOM 1353 HE1 LYS 83 -32.637 47.570 -17.495 1.00 38.60 ATOM 1354 HE2 LYS 83 -31.659 47.373 -18.945 1.00 23.13 ATOM 1355 NZ LYS 83 -30.679 48.308 -17.330 1.00 13.11 ATOM 1356 HZ1 LYS 83 -30.599 48.222 -16.294 1.00 33.20 ATOM 1357 HZ2 LYS 83 -30.997 49.272 -17.557 1.00 44.40 ATOM 1358 HZ3 LYS 83 -29.745 48.162 -17.753 1.00 1.44 ATOM 1359 C LYS 83 -26.483 45.046 -18.352 1.00 11.21 ATOM 1360 O LYS 83 -26.269 46.206 -17.998 1.00 21.32 ATOM 1361 N ARG 84 -25.516 44.150 -18.517 1.00 73.44 ATOM 1362 HN ARG 84 -25.741 43.233 -18.802 1.00 38.60 ATOM 1363 CA ARG 84 -24.116 44.484 -18.286 1.00 52.11 ATOM 1364 HA ARG 84 -23.966 45.534 -18.500 1.00 64.22 ATOM 1365 CB ARG 84 -23.738 44.209 -16.830 1.00 1.04 ATOM 1366 HB1 ARG 84 -22.674 44.323 -16.690 1.00 38.60 ATOM 1367 HB2 ARG 84 -24.004 43.190 -16.598 1.00 75.04 ATOM 1368 CG ARG 84 -24.447 45.113 -15.835 1.00 14.11 ATOM 1369 HG1 ARG 84 -24.246 44.741 -14.841 1.00 38.60 ATOM 1370 HG2 ARG 84 -25.505 45.098 -16.002 1.00 41.23 ATOM 1371 CD ARG 84 -23.936 46.543 -15.919 1.00 32.15 ATOM 1372 HD1 ARG 84 -24.497 47.149 -15.222 1.00 38.60 ATOM 1373 HD2 ARG 84 -24.094 46.916 -16.920 1.00 25.14 ATOM 1374 NE ARG 84 -22.517 46.637 -15.585 1.00 54.23 ATOM 1375 HE ARG 84 -22.065 45.827 -15.253 1.00 74.14 ATOM 1376 CZ ARG 84 -21.809 47.755 -15.699 1.00 24.12 ATOM 1377 NH1 ARG 84 -22.384 48.867 -16.134 1.00 43.24 ATOM 1378 HH11 ARG 84 -23.351 48.891 -16.382 1.00 5.44 ATOM 1379 HH12 ARG 84 -21.841 49.705 -16.217 1.00 30.21 ATOM 1380 NH2 ARG 84 -20.522 47.761 -15.376 1.00 4.52 ATOM 1381 HH21 ARG 84 -20.082 46.924 -15.046 1.00 24.12 ATOM 1382 HH22 ARG 84 -19.985 48.603 -15.461 1.00 31.23 ATOM 1383 C ARG 84 -23.206 43.689 -19.218 1.00 52.31 ATOM 1384 O ARG 84 -23.678 42.951 -20.083 1.00 65.03 ATOM 1385 N LYS 85 -21.899 43.846 -19.036 1.00 14.02 ATOM 1386 HN LYS 85 -21.574 44.461 -18.340 1.00 38.60 ATOM 1387 CA LYS 85 -20.922 43.143 -19.859 1.00 0.54 ATOM 1388 HA LYS 85 -21.228 43.224 -20.894 1.00 34.13 ATOM 1389 CB LYS 85 -19.540 43.782 -19.702 1.00 21.31 ATOM 1390 HB1 LYS 85 -18.842 43.283 -20.359 1.00 38.60 ATOM 1391 HB2 LYS 85 -19.210 43.649 -18.679 1.00 63.41 ATOM 1392 CG LYS 85 -19.520 45.270 -20.003 1.00 44.25 ATOM 1393 HG1 LYS 85 -18.578 45.679 -19.663 1.00 38.60 ATOM 1394 HG2 LYS 85 -20.325 45.760 -19.475 1.00 75.35 ATOM 1395 CD LYS 85 -19.677 45.540 -21.491 1.00 2.05 ATOM 1396 HD1 LYS 85 -19.971 46.571 -21.621 1.00 38.60 ATOM 1397 HD2 LYS 85 -20.441 44.901 -21.909 1.00 3.32 ATOM 1398 CE LYS 85 -18.372 45.313 -22.239 1.00 75.42 ATOM 1399 HE1 LYS 85 -17.867 44.444 -21.841 1.00 38.60 ATOM 1400 HE2 LYS 85 -17.744 46.181 -22.108 1.00 72.31 ATOM 1401 NZ LYS 85 -18.599 45.102 -23.696 1.00 4.00 ATOM 1402 HZ1 LYS 85 -19.202 44.267 -23.852 1.00 34.12 ATOM 1403 HZ2 LYS 85 -17.690 44.949 -24.178 1.00 14.14 ATOM 1404 HZ3 LYS 85 -19.062 45.936 -24.115 1.00 72.42 ATOM 1405 C LYS 85 -20.857 41.666 -19.484 1.00 42.31 ATOM 1406 O LYS 85 -21.209 41.282 -18.368 1.00 54.11 ATOM 1407 N LEU 86 -20.403 40.842 -20.422 1.00 41.30 ATOM 1408 HN LEU 86 -20.124 41.204 -21.295 1.00 38.60 ATOM 1409 CA LEU 86 -20.290 39.407 -20.190 1.00 21.43 ATOM 1410 HA LEU 86 -20.500 39.192 -19.150 1.00 54.44 ATOM 1411 CB LEU 86 -21.301 38.649 -21.053 1.00 3.24 ATOM 1412 HB1 LEU 86 -22.259 38.695 -20.551 1.00 38.60 ATOM 1413 HB2 LEU 86 -21.002 37.605 -21.083 1.00 55.41 ATOM 1414 CG LEU 86 -21.474 39.157 -22.485 1.00 31.54 ATOM 1415 HG LEU 86 -20.538 39.571 -22.839 1.00 53.33 ATOM 1416 CD1 LEU 86 -21.851 38.013 -23.414 1.00 15.31 ATOM 1417 HD11 LEU 86 -22.792 37.581 -23.100 1.00 72.22 ATOM 1418 HD12 LEU 86 -21.081 37.254 -23.385 1.00 55.02 ATOM 1419 HD13 LEU 86 -21.947 38.383 -24.426 1.00 55.51 ATOM 1420 CD2 LEU 86 -22.523 40.257 -22.537 1.00 53.50 ATOM 1421 HD21 LEU 86 -22.228 41.088 -21.922 1.00 32.40 ATOM 1422 HD22 LEU 86 -23.470 39.873 -22.184 1.00 0.41 ATOM 1423 HD23 LEU 86 -22.637 40.598 -23.558 1.00 71.13 ATOM 1424 C LEU 86 -18.878 38.916 -20.492 1.00 24.33 ATOM 1425 O LEU 86 -18.078 39.631 -21.094 1.00 24.05 ATOM 1426 N GLU 87 -18.580 37.690 -20.071 1.00 40.11 ATOM 1427 HN GLU 87 -19.256 37.157 -19.594 1.00 38.60 ATOM 1428 CA GLU 87 -17.264 37.104 -20.298 1.00 74.24 ATOM 1429 HA GLU 87 -17.211 36.180 -19.746 1.00 64.40 ATOM 1430 CB GLU 87 -17.057 36.823 -21.788 1.00 72.31 ATOM 1431 HB1 GLU 87 -16.092 36.356 -21.927 1.00 38.60 ATOM 1432 HB2 GLU 87 -17.076 37.756 -22.332 1.00 63.40 ATOM 1433 CG GLU 87 -18.112 35.907 -22.387 1.00 44.32 ATOM 1434 HG1 GLU 87 -17.766 35.564 -23.351 1.00 38.60 ATOM 1435 HG2 GLU 87 -19.027 36.468 -22.513 1.00 41.33 ATOM 1436 CD GLU 87 -18.397 34.699 -21.517 1.00 73.42 ATOM 1437 OE1 GLU 87 -17.436 33.987 -21.158 1.00 71.40 ATOM 1438 OE2 GLU 87 -19.581 34.465 -21.196 1.00 21.51 ATOM 1439 C GLU 87 -16.162 38.026 -19.785 1.00 61.34 ATOM 1440 O GLU 87 -15.142 38.222 -20.447 1.00 62.30 ATOM 1441 N THR 88 -16.374 38.591 -18.601 1.00 34.11 ATOM 1442 HN THR 88 -17.198 38.392 -18.100 1.00 38.60 ATOM 1443 CA THR 88 -15.401 39.493 -17.999 1.00 12.40 ATOM 1444 HA THR 88 -14.603 39.672 -18.715 1.00 63.34 ATOM 1445 CB THR 88 -16.040 40.847 -17.636 1.00 1.22 ATOM 1446 HB THR 88 -16.209 40.898 -16.566 1.00 10.20 ATOM 1447 OG1 THR 88 -17.303 40.986 -18.297 1.00 3.04 ATOM 1448 HG1 THR 88 -17.857 41.603 -17.812 1.00 52.33 ATOM 1449 CG2 THR 88 -15.127 41.999 -18.029 1.00 30.14 ATOM 1450 HG21 THR 88 -14.185 41.910 -17.506 1.00 54.03 ATOM 1451 HG22 THR 88 -15.597 42.935 -17.764 1.00 3.13 ATOM 1452 HG23 THR 88 -14.951 41.975 -19.095 1.00 31.11 ATOM 1453 C THR 88 -14.786 38.882 -16.745 1.00 73.12 ATOM 1454 O THR 88 -15.457 38.168 -15.999 1.00 3.13 ATOM 1455 N ILE 89 -13.508 39.167 -16.520 1.00 32.44 ATOM 1456 HN ILE 89 -13.015 39.736 -17.155 1.00 38.60 ATOM 1457 CA ILE 89 -12.804 38.646 -15.354 1.00 73.44 ATOM 1458 HA ILE 89 -13.520 38.193 -14.677 1.00 51.44 ATOM 1459 CB ILE 89 -11.774 37.572 -15.753 1.00 11.24 ATOM 1460 HB ILE 89 -10.998 38.040 -16.344 1.00 2.22 ATOM 1461 CG1 ILE 89 -12.441 36.481 -16.592 1.00 61.24 ATOM 1462 HG11 ILE 89 -11.690 35.767 -16.902 1.00 38.60 ATOM 1463 HG12 ILE 89 -12.888 36.919 -17.472 1.00 1.20 ATOM 1464 CG2 ILE 89 -11.127 36.973 -14.513 1.00 12.13 ATOM 1465 HG21 ILE 89 -10.499 36.138 -14.797 1.00 53.54 ATOM 1466 HG22 ILE 89 -11.889 36.627 -13.828 1.00 14.12 ATOM 1467 HG23 ILE 89 -10.517 37.717 -14.023 1.00 13.45 ATOM 1468 CD1 ILE 89 -13.519 35.722 -15.851 1.00 24.52 ATOM 1469 HD11 ILE 89 -14.220 36.390 -15.398 1.00 4.42 ATOM 1470 HD12 ILE 89 -13.065 35.112 -15.085 1.00 74.13 ATOM 1471 HD13 ILE 89 -14.040 35.081 -16.548 1.00 54.52 ATOM 1472 C ILE 89 -12.092 39.762 -14.598 1.00 32.32 ATOM 1473 O ILE 89 -10.961 40.123 -14.922 1.00 50.14 ATOM 1474 N VAL 90 -12.762 40.304 -13.585 1.00 62.34 ATOM 1475 HN VAL 90 -13.668 39.982 -13.371 1.00 38.60 ATOM 1476 CA VAL 90 -12.192 41.377 -12.780 1.00 14.14 ATOM 1477 HA VAL 90 -11.138 41.484 -13.012 1.00 60.23 ATOM 1478 CB VAL 90 -12.882 42.723 -13.071 1.00 5.55 ATOM 1479 HB VAL 90 -12.412 43.495 -12.480 1.00 41.14 ATOM 1480 CG1 VAL 90 -12.718 43.102 -14.535 1.00 4.14 ATOM 1481 HG11 VAL 90 -11.666 43.169 -14.776 1.00 23.00 ATOM 1482 HG12 VAL 90 -13.186 44.060 -14.717 1.00 14.42 ATOM 1483 HG13 VAL 90 -13.182 42.352 -15.160 1.00 13.14 ATOM 1484 CG2 VAL 90 -14.353 42.662 -12.689 1.00 22.12 ATOM 1485 HG21 VAL 90 -14.454 42.521 -11.624 1.00 35.10 ATOM 1486 HG22 VAL 90 -14.833 41.844 -13.207 1.00 24.02 ATOM 1487 HG23 VAL 90 -14.838 43.589 -12.967 1.00 43.04 ATOM 1488 C VAL 90 -12.311 41.069 -11.291 1.00 40.12 ATOM 1489 O VAL 90 -12.856 40.036 -10.903 1.00 53.42 ATOM 1490 N GLN 91 -11.797 41.972 -10.463 1.00 10.52 ATOM 1491 HN GLN 91 -11.361 42.778 -10.827 1.00 38.60 ATOM 1492 HA GLN 91 -11.777 40.736 -8.793 1.00 73.34 ATOM 1493 CB GLN 91 -10.667 42.512 -8.354 1.00 43.54 ATOM 1494 HB1 GLN 91 -10.853 42.620 -7.292 1.00 38.60 ATOM 1495 HB2 GLN 91 -10.586 43.501 -8.786 1.00 11.11 ATOM 1496 CG GLN 91 -9.335 41.808 -8.557 1.00 72.34 ATOM 1497 HG1 GLN 91 -8.553 42.553 -8.558 1.00 38.60 ATOM 1498 HG2 GLN 91 -9.335 41.293 -9.509 1.00 14.35 ATOM 1499 CD GLN 91 -9.034 40.803 -7.463 1.00 71.53 ATOM 1500 OE1 GLN 91 -9.785 40.677 -6.496 1.00 12.23 ATOM 1501 NE2 GLN 91 -7.930 40.079 -7.611 1.00 54.10 ATOM 1502 HE21 GLN 91 -7.367 40.221 -8.405 1.00 51.00 ATOM 1503 HE22 GLN 91 -7.718 39.423 -6.914 1.00 31.44 ATOM 1504 CA GLN 91 -11.845 41.797 -9.016 1.00 74.41 ATOM 1505 C GLN 91 -13.159 42.323 -8.448 1.00 32.55 ATOM 1506 OT1 GLN 91 -13.866 41.544 -7.773 1.00 38.60 ATOM 1507 OT2 GLN 91 -13.481 43.508 -8.691 1.00 38.60 ATOM 1508 OH2 TIP3 1 -27.024 4.377 -2.097 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -27.713 5.035 -2.192 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -27.009 4.180 -1.160 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -29.153 11.892 -1.339 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -29.013 11.301 -2.078 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -28.985 12.765 -1.695 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -27.311 8.232 -3.273 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -27.963 8.927 -3.184 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -26.846 8.442 -4.083 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -26.598 14.573 0.238 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -26.647 13.618 0.201 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -27.424 14.841 0.640 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -29.316 18.441 1.345 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -29.116 18.865 0.510 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -28.660 18.784 1.952 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -29.368 10.056 -3.424 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -28.726 10.513 -3.967 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -30.198 10.169 -3.886 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -27.053 11.614 0.181 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -27.905 11.852 -0.186 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -26.463 11.597 -0.572 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -28.721 14.600 -12.191 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -29.094 13.774 -11.881 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -28.444 14.417 -13.088 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -30.873 16.199 -0.975 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -31.475 15.644 -1.470 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -30.592 16.866 -1.601 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -26.825 17.056 -14.169 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -26.082 17.642 -14.309 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -27.520 17.624 -13.836 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -29.603 16.453 -5.008 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -29.759 17.131 -5.665 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -28.671 16.525 -4.805 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -26.887 17.103 -4.779 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -26.909 17.288 -3.840 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -26.197 17.672 -5.120 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -28.873 12.460 2.781 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -29.739 12.355 3.175 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -28.497 13.219 3.228 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -27.178 8.770 -9.881 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -27.904 8.291 -9.483 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -26.597 8.976 -9.149 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -27.419 11.555 -4.933 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -26.585 11.177 -5.214 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -27.307 12.498 -5.052 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -28.932 14.433 -2.626 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -29.580 14.758 -2.001 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -29.450 13.993 -3.301 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -28.535 9.261 0.321 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -27.952 8.527 0.512 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -27.971 10.033 0.367 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -27.038 7.164 1.005 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -27.901 6.785 0.840 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -26.434 6.425 0.931 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -30.149 17.193 -9.207 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -29.496 16.846 -9.815 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -29.638 17.682 -8.561 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -30.298 18.289 -2.912 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -30.480 19.205 -3.123 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -30.122 17.879 -3.759 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -28.169 16.973 -11.199 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -28.363 16.225 -11.764 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -28.208 17.731 -11.783 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -28.951 15.724 0.951 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -29.733 15.538 0.431 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -29.023 16.653 1.168 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -27.515 14.342 4.116 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -27.442 15.281 4.286 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -26.610 14.037 4.059 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -32.103 17.073 4.779 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -31.728 16.329 4.308 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -32.099 16.803 5.697 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -32.434 16.999 7.528 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -33.369 17.099 7.707 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -32.154 16.290 8.106 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -28.721 14.600 6.665 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -29.094 13.774 6.975 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -28.444 14.417 5.768 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -26.825 17.056 4.687 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -26.082 17.642 4.547 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -27.520 17.624 5.020 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -28.031 9.848 3.176 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -28.304 9.423 2.363 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -27.991 10.779 2.959 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -26.887 17.103 14.077 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -26.909 17.288 15.016 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -26.197 17.672 13.736 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -27.572 10.717 7.151 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -26.722 11.138 7.279 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -27.567 9.977 7.759 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -26.910 8.671 5.366 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -27.431 9.028 4.647 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -26.943 9.346 6.044 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -30.149 17.193 9.649 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -29.496 16.846 9.041 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -29.638 17.682 10.295 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -28.169 16.973 7.657 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -28.363 16.225 7.092 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -28.208 17.731 7.073 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -26.598 33.429 -18.618 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -26.647 32.474 -18.655 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -27.424 33.697 -18.216 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -30.873 35.055 -19.831 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -31.475 34.500 -20.326 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -30.592 35.722 -20.457 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -39.292 34.899 -16.016 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -38.524 34.440 -15.675 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -39.313 34.673 -16.946 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -32.715 33.279 -17.287 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -33.066 32.423 -17.044 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -31.989 33.422 -16.680 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -26.887 35.959 -23.635 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -26.909 36.144 -22.696 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -26.197 36.528 -23.976 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -27.324 35.526 -20.713 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -27.811 34.791 -21.084 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -26.775 35.133 -20.035 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -28.873 31.316 -16.075 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -29.739 31.211 -15.681 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -28.497 32.075 -15.628 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -27.038 26.020 -17.851 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -27.901 25.641 -18.016 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -26.434 25.281 -17.925 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -26.757 19.028 -16.146 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -26.407 18.374 -16.752 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -26.610 19.865 -16.586 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -35.499 35.352 -18.302 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -35.314 35.018 -17.424 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -34.652 35.661 -18.624 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -33.154 36.637 -19.058 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -32.477 36.005 -19.298 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -32.832 37.039 -18.250 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -30.298 37.145 -21.768 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -30.480 38.061 -21.979 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -30.122 36.735 -22.615 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -28.951 34.580 -17.905 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -29.733 34.394 -18.425 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -29.023 35.509 -17.688 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -33.401 28.466 -9.019 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -33.312 29.410 -9.151 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -34.040 28.191 -9.677 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -34.468 27.721 -5.600 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -34.506 27.075 -4.895 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -34.791 27.255 -6.371 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -30.762 30.660 -7.298 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -31.203 29.940 -6.848 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -30.775 31.381 -6.668 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -33.651 35.765 -7.086 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -33.031 35.088 -7.359 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -33.859 35.547 -6.178 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -36.079 30.154 -5.194 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -35.775 29.468 -5.788 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -35.357 30.272 -4.576 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -32.061 22.780 -9.193 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -31.415 22.451 -8.568 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -31.551 23.298 -9.816 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -33.604 31.067 -9.976 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -33.900 30.745 -10.827 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -33.928 31.967 -9.934 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -38.404 29.243 -3.232 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -39.144 29.841 -3.129 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -37.690 29.797 -3.548 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -30.297 22.071 -7.212 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -30.512 21.305 -6.680 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -29.641 22.543 -6.699 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -29.950 20.786 -3.533 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -30.686 21.397 -3.571 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -29.266 21.201 -4.059 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -31.998 34.281 -8.325 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -31.573 33.574 -8.810 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -31.681 35.082 -8.742 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -30.839 32.182 -9.816 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -31.096 31.492 -10.428 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -30.768 31.739 -8.971 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -31.274 27.920 -10.615 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -32.006 28.148 -10.042 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -30.827 27.206 -10.160 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -38.262 31.978 -6.051 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -38.357 31.400 -6.808 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -37.533 31.607 -5.555 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -39.262 27.319 -5.099 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -38.697 27.440 -5.862 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -38.943 27.956 -4.460 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -38.382 31.718 -0.382 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -38.694 32.500 0.074 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -39.032 31.565 -1.068 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -32.403 27.082 -12.930 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -31.824 27.232 -12.183 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -31.989 27.553 -13.653 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -34.677 33.819 -9.495 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -34.203 34.114 -8.717 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -35.240 34.557 -9.728 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -28.705 18.832 -13.117 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -29.604 18.971 -12.822 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -28.453 19.663 -13.519 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -27.515 33.198 -14.740 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -27.442 34.137 -14.570 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -26.610 32.893 -14.797 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -35.619 33.003 -0.886 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -35.532 33.829 -0.411 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -36.483 32.673 -0.637 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -31.689 23.254 -1.061 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -32.203 23.128 -0.264 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -31.844 24.166 -1.306 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -30.926 28.115 -15.300 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -30.884 27.892 -16.230 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -30.077 28.513 -15.110 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -34.054 25.379 -10.465 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -34.463 26.194 -10.757 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -33.334 25.239 -11.080 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -34.952 25.554 1.023 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -35.515 24.850 1.343 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -34.126 25.434 1.490 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -33.050 24.825 -7.651 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -33.245 25.430 -8.366 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -32.868 23.991 -8.086 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -32.603 21.625 -4.932 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -33.280 21.756 -4.268 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -33.089 21.470 -5.742 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -35.688 25.178 -6.309 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -35.124 24.631 -6.856 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -35.836 24.656 -5.520 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -37.062 23.566 -3.895 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -37.897 24.020 -3.785 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -36.538 23.842 -3.143 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -31.902 24.460 -12.350 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -31.010 24.323 -12.031 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -31.845 25.251 -12.887 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -34.392 31.238 -13.185 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -34.687 32.064 -12.803 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -35.095 30.618 -12.989 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -37.368 27.052 1.087 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -37.664 26.886 0.192 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -36.437 26.832 1.077 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -28.721 33.456 -12.191 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -29.094 32.630 -11.881 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -28.444 33.273 -13.088 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -37.076 34.404 -3.145 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -36.713 35.259 -3.378 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -36.544 34.112 -2.404 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -38.907 35.277 -9.915 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -39.857 35.382 -9.863 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -38.556 36.097 -9.570 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -31.329 31.432 -14.370 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -30.976 31.052 -13.566 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -32.278 31.339 -14.284 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -26.825 35.912 -14.169 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -26.082 36.498 -14.309 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -27.520 36.480 -13.836 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -30.463 30.105 -12.144 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -30.740 29.377 -11.588 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -29.536 30.224 -11.938 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -37.238 32.544 -15.923 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -36.999 31.796 -16.471 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -37.507 32.156 -15.091 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -34.016 22.029 -2.678 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -33.318 22.103 -2.028 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -34.397 21.165 -2.523 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -35.563 33.812 -12.718 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -36.380 34.309 -12.665 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -35.034 34.287 -13.358 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -35.496 24.395 -1.561 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -35.377 24.969 -0.804 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -34.841 23.707 -1.446 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -38.225 34.855 -12.736 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -38.064 35.655 -13.237 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -38.422 35.162 -11.851 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -30.690 26.053 -6.630 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -31.487 25.638 -6.959 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -30.245 25.362 -6.139 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.200 34.407 -15.785 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -35.844 33.776 -15.463 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -34.438 33.876 -16.017 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -32.715 33.279 1.569 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -33.066 32.423 1.812 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -31.989 33.422 2.176 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -30.596 34.224 -15.551 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -30.313 33.430 -15.098 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -29.856 34.457 -16.112 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -37.327 29.760 1.607 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -37.655 30.031 0.749 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -37.175 28.819 1.519 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -39.203 25.999 -1.032 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -39.821 26.674 -0.751 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -38.859 26.320 -1.865 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -28.031 28.704 -15.680 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -28.304 28.279 -16.493 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -27.991 29.635 -15.897 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -36.869 27.163 -2.217 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -36.118 27.007 -2.790 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -37.208 28.015 -2.493 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -36.381 23.502 1.538 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -36.617 23.282 2.440 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -37.164 23.295 1.029 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -33.665 22.629 0.614 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -34.613 22.661 0.746 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -33.353 22.004 1.268 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -32.031 21.263 2.619 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -32.128 20.311 2.613 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -32.353 21.532 3.480 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -37.523 37.040 -14.124 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -36.590 37.198 -13.980 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -37.787 37.715 -14.749 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -28.561 24.767 -14.939 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -28.464 25.434 -15.619 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -28.701 23.951 -15.421 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -29.313 22.175 -15.822 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -28.703 21.803 -15.185 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -30.150 21.753 -15.626 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -29.681 23.730 -10.856 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -29.401 22.823 -10.731 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -28.922 24.164 -11.245 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -26.757 19.028 2.710 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -26.407 18.374 2.104 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -26.610 19.865 2.270 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -29.067 20.993 -10.807 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -28.885 20.544 -9.982 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -29.667 20.408 -11.271 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -27.237 21.137 1.059 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -28.154 21.408 1.023 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -27.114 20.602 0.275 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -27.201 21.060 -14.279 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -26.788 20.339 -14.755 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -26.519 21.730 -14.221 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -30.149 36.049 -9.207 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -29.496 35.702 -9.815 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -29.638 36.538 -8.561 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -35.499 35.352 0.554 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -35.314 35.018 1.432 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -34.652 35.661 0.232 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -33.154 36.637 -0.202 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -32.477 36.005 -0.442 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -32.832 37.039 0.606 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -28.236 19.227 -1.122 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -29.049 19.552 -1.510 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -28.003 18.467 -1.655 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -35.230 36.697 -4.152 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -35.687 37.226 -4.806 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -35.067 37.300 -3.427 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -29.664 18.783 -6.687 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -29.060 19.331 -7.188 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -30.533 19.103 -6.927 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -30.990 19.293 -11.822 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -31.693 19.907 -12.032 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -31.435 18.455 -11.691 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -28.169 35.829 -11.199 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -28.363 35.081 -11.764 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -28.208 36.587 -11.783 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -32.127 18.507 2.258 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -32.051 18.081 3.112 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -31.234 18.521 1.916 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -28.951 34.580 0.951 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -29.733 34.394 0.431 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -29.023 35.509 1.168 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -33.401 28.466 9.837 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -33.312 29.410 9.705 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -34.040 28.191 9.179 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -30.762 30.660 11.558 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -31.203 29.940 12.008 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -30.775 31.381 12.188 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -33.651 35.765 11.770 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -33.031 35.088 11.497 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -33.859 35.547 12.678 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -27.416 21.755 14.523 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -27.367 22.365 15.259 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -26.990 22.216 13.800 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -32.938 24.548 13.990 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -32.795 23.601 14.010 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -33.044 24.755 13.061 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -27.024 23.233 16.759 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -27.713 23.891 16.664 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -27.009 23.036 17.696 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -33.604 31.067 8.880 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -33.900 30.745 8.029 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -33.928 31.967 8.922 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -30.297 22.071 11.644 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -30.512 21.305 12.176 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -29.641 22.543 12.157 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -31.998 34.281 10.531 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -31.573 33.574 10.046 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -31.681 35.082 10.114 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -30.839 32.182 9.040 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -31.096 31.492 8.428 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -30.768 31.739 9.885 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -29.153 30.748 17.517 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -29.013 30.157 16.778 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -28.985 31.621 17.161 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -34.680 27.710 7.289 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -35.392 28.245 6.938 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -33.989 27.766 6.629 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -27.311 27.088 15.583 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -27.963 27.783 15.672 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -26.846 27.298 14.773 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -32.953 32.822 14.491 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -33.194 33.484 15.139 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -33.151 31.988 14.916 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -34.677 33.819 9.361 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -34.203 34.114 10.139 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -35.240 34.557 9.128 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -28.705 18.832 5.739 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -29.604 18.971 6.034 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -28.453 19.663 5.337 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -26.598 33.429 19.094 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -26.647 32.474 19.057 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -27.424 33.697 19.496 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -32.103 35.929 4.779 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -31.728 35.185 4.308 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -32.099 35.659 5.697 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -32.434 35.855 7.528 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -33.369 35.955 7.707 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -32.154 35.146 8.106 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -35.353 21.991 4.226 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -35.607 22.010 5.149 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -35.610 21.119 3.925 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -34.054 25.379 8.391 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -34.463 26.194 8.099 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -33.334 25.239 7.776 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -33.050 24.825 11.205 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -33.245 25.430 10.490 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -32.868 23.991 10.770 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -32.603 21.625 13.924 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -33.280 21.756 14.588 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -33.089 21.470 13.114 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -35.688 25.178 12.547 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -35.124 24.631 12.000 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -35.836 24.656 13.336 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -36.518 29.779 6.646 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -37.262 29.272 6.323 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -36.652 29.828 7.592 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -29.368 28.912 15.432 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -28.726 29.369 14.889 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -30.198 29.025 14.970 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -32.620 22.593 4.845 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -33.558 22.705 4.694 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -32.323 23.450 5.151 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -34.392 31.238 5.671 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -34.687 32.064 6.053 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -35.095 30.618 5.867 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -32.748 32.425 17.833 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -33.649 32.608 17.565 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -32.714 32.684 18.754 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -27.053 30.470 19.037 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -27.905 30.708 18.670 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -26.463 30.453 18.284 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -31.561 28.264 13.687 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -32.489 28.032 13.660 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -31.110 27.487 13.357 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -33.532 30.503 15.412 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -33.958 30.276 16.238 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -32.951 29.765 15.229 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -30.873 35.055 17.881 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -31.475 34.500 17.386 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -30.592 35.722 17.255 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -26.825 35.912 4.687 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -26.082 36.498 4.547 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -27.520 36.480 5.020 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -37.238 32.544 2.933 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -36.999 31.796 2.385 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -37.507 32.156 3.765 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -38.301 32.114 5.389 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -38.154 31.594 6.179 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -38.304 33.021 5.695 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -33.232 21.681 7.275 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -33.012 22.153 6.472 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -32.674 22.076 7.946 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -35.563 33.812 6.138 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -36.380 34.309 6.191 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -35.034 34.287 5.498 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -36.032 23.409 8.110 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -35.220 23.913 8.156 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -36.277 23.264 9.024 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -35.148 20.490 9.048 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -35.495 21.108 9.693 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -34.490 20.991 8.567 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -30.690 26.053 12.226 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -31.487 25.638 11.897 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -30.245 25.362 12.717 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -29.603 35.309 13.848 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -29.759 35.987 13.191 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -28.671 35.381 14.051 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -35.200 34.407 3.071 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -35.844 33.776 3.393 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -34.438 33.876 2.839 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -30.596 34.224 3.305 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -30.313 33.430 3.758 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -29.856 34.457 2.744 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -31.592 29.676 17.846 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -30.847 30.264 17.726 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -32.349 30.258 17.909 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -38.492 28.106 5.468 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -38.951 27.622 6.154 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -38.237 27.438 4.832 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -37.421 26.349 3.731 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -37.601 26.195 2.803 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -36.470 26.457 3.775 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -27.324 35.526 16.999 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -27.811 34.791 16.628 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -26.775 35.133 17.677 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -28.873 31.316 21.637 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -29.739 31.211 22.031 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -28.497 32.075 22.084 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -28.535 28.117 19.177 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -27.952 27.383 19.368 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -27.971 28.889 19.223 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -29.313 22.175 3.034 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -28.703 21.803 3.671 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -30.150 21.753 3.230 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -29.069 24.311 13.436 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -28.136 24.523 13.402 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -29.304 24.413 14.359 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -29.040 25.048 16.212 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -29.883 25.316 16.578 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -28.597 25.870 16.001 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -30.149 36.049 9.649 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -29.496 35.702 9.041 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -29.638 36.538 10.295 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -32.903 35.575 15.649 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -33.807 35.740 15.383 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -32.474 36.428 15.583 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -30.298 37.145 15.944 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -30.480 38.061 15.733 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -30.122 36.735 15.097 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -34.806 20.676 12.057 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -35.481 20.047 12.312 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -34.242 20.192 11.454 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -29.664 18.783 12.169 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -29.060 19.331 11.668 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -30.533 19.103 11.929 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -27.937 19.922 10.503 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -27.325 19.408 9.976 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -27.554 20.800 10.526 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -32.343 19.267 11.341 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -32.267 19.362 10.392 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -32.619 18.359 11.470 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -30.990 19.293 7.034 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -31.693 19.907 6.824 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -31.435 18.455 7.165 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -36.756 21.317 6.582 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -36.578 20.671 7.265 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -36.810 22.151 7.049 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -34.878 36.266 4.977 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -34.012 36.632 4.799 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -35.125 35.826 4.164 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -28.169 35.829 7.657 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -28.363 35.081 7.092 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -28.208 36.587 7.073 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -28.951 34.580 19.807 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -29.733 34.394 19.287 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -29.023 35.509 20.024 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -27.515 33.198 22.972 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -27.442 34.137 23.142 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -26.610 32.893 22.915 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -26.825 35.912 23.543 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -26.082 36.498 23.403 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -27.520 36.480 23.876 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -28.031 28.704 22.032 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -28.304 28.279 21.219 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -27.991 29.635 21.815 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -34.468 46.577 -24.456 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -34.506 45.931 -23.751 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -34.791 46.111 -25.227 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -36.079 49.010 -24.050 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -35.775 48.324 -24.644 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -35.357 49.128 -23.432 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -27.416 40.611 -23.189 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -27.367 41.221 -22.453 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -26.990 41.072 -23.912 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -32.938 43.404 -23.722 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -32.795 42.457 -23.702 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -33.044 43.611 -24.651 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -30.250 51.356 -23.806 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -31.192 51.414 -23.645 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -29.974 52.262 -23.943 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -29.950 39.642 -22.389 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -30.686 40.253 -22.427 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -29.266 40.057 -22.915 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -32.953 51.678 -23.221 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -33.194 52.340 -22.573 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -33.151 50.844 -22.796 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -38.382 50.574 -19.238 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -38.694 51.356 -18.782 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -39.032 50.421 -19.924 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -26.598 52.285 -18.618 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -26.647 51.330 -18.655 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -27.424 52.553 -18.216 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -35.619 51.859 -19.742 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -35.532 52.685 -19.267 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -36.483 51.529 -19.493 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -35.015 38.354 -20.771 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -34.595 37.939 -20.018 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -35.948 38.176 -20.654 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -33.786 45.319 -21.836 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -33.462 44.688 -22.479 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -34.226 44.784 -21.175 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -32.603 40.481 -23.788 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -33.280 40.612 -23.124 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -33.089 40.326 -24.598 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -29.316 56.153 -17.511 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -29.116 56.577 -18.346 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -28.660 56.496 -16.904 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -29.368 47.768 -22.280 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -28.726 48.225 -22.823 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -30.198 47.881 -22.742 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -34.998 48.819 -19.829 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -35.344 48.438 -19.023 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -35.198 49.753 -19.758 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -37.368 45.908 -17.769 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -37.664 45.742 -18.664 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -36.437 45.688 -17.779 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -32.748 51.281 -19.879 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -33.649 51.464 -20.147 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -32.714 51.540 -18.958 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -31.561 47.120 -24.025 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -32.489 46.888 -24.052 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -31.110 46.343 -24.355 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -33.532 49.359 -22.300 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -33.958 49.132 -21.474 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -32.951 48.621 -22.483 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -30.873 53.911 -19.831 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -31.475 53.356 -20.326 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -30.592 54.578 -20.457 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -34.016 40.885 -21.534 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -33.318 40.959 -20.884 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -34.397 40.021 -21.379 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -35.496 43.251 -20.417 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -35.377 43.825 -19.660 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -34.841 42.563 -20.302 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -30.690 44.909 -25.486 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -31.487 44.494 -25.815 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -30.245 44.218 -24.995 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -32.715 52.135 -17.287 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -33.066 51.279 -17.044 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -31.989 52.278 -16.680 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -37.327 48.616 -17.249 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -37.655 48.887 -18.107 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -37.175 47.675 -17.337 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -38.863 42.210 -18.805 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -38.713 41.481 -19.408 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -38.861 42.987 -19.364 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -38.451 40.580 -21.313 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -37.915 41.031 -21.965 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -39.303 40.472 -21.735 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -36.869 46.019 -21.073 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -36.118 45.863 -21.646 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -37.208 46.871 -21.349 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -40.385 43.408 -16.894 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -41.152 42.876 -17.104 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -39.706 43.098 -17.493 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -37.645 38.036 -20.881 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -37.743 38.983 -20.987 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -38.388 37.664 -21.357 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -37.423 37.330 -18.210 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -36.711 36.690 -18.224 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -37.524 37.597 -19.124 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -27.324 54.382 -20.713 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -27.811 53.647 -21.084 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -26.775 53.989 -20.035 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -27.419 49.267 -23.789 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -26.585 48.889 -24.070 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -27.307 50.210 -23.908 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -28.932 52.145 -21.482 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -29.580 52.470 -20.857 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -29.450 51.705 -22.157 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -29.069 43.167 -24.276 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -28.136 43.379 -24.310 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -29.304 43.269 -23.353 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -35.499 54.208 -18.302 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -35.314 53.874 -17.424 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -34.652 54.517 -18.624 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -33.154 55.493 -19.058 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -32.477 54.861 -19.298 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -32.832 55.895 -18.250 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -28.236 38.083 -19.978 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -29.049 38.408 -20.366 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -28.003 37.323 -20.511 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -27.937 38.778 -27.209 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -27.325 38.264 -27.736 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -27.554 39.656 -27.186 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -40.549 38.031 -16.780 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -39.650 37.757 -16.965 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -40.935 37.288 -16.316 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -28.951 53.436 -17.905 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -29.733 53.250 -18.425 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -29.023 54.365 -17.688 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -33.401 47.322 -9.019 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -33.312 48.266 -9.151 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -34.040 47.047 -9.677 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -32.938 43.404 -4.866 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -32.795 42.457 -4.846 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -33.044 43.611 -5.795 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -30.297 40.927 -7.212 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -30.512 40.161 -6.680 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -29.641 41.399 -6.699 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -36.947 37.729 -6.067 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -37.064 36.780 -6.121 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -37.802 38.061 -5.794 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -30.839 51.038 -9.816 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -31.096 50.348 -10.428 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -30.768 50.595 -8.971 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -34.680 46.566 -11.567 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -35.392 47.101 -11.918 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -33.989 46.622 -12.227 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -34.626 45.024 -14.528 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -33.925 45.046 -13.877 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -34.324 44.396 -15.184 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -27.311 45.944 -3.273 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -27.963 46.639 -3.184 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -26.846 46.154 -4.083 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -31.274 46.776 -10.615 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -32.006 47.004 -10.042 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -30.827 46.062 -10.160 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -31.377 44.950 -1.547 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -31.297 45.713 -0.975 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -31.978 45.229 -2.238 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -27.515 52.054 -14.740 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -27.442 52.993 -14.570 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -26.610 51.749 -14.797 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -32.103 54.785 -14.077 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -31.728 54.041 -14.548 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -32.099 54.515 -13.159 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -29.446 43.778 0.718 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -29.853 44.259 -0.002 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -29.405 42.873 0.411 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -35.015 38.354 -1.915 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -34.595 37.939 -1.162 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -35.948 38.176 -1.798 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -31.689 42.110 -1.061 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -32.203 41.984 -0.264 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -31.844 43.022 -1.306 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -39.590 43.819 -9.282 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -40.483 43.478 -9.341 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -39.139 43.442 -10.038 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -33.050 43.681 -7.651 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -33.245 44.286 -8.366 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -32.868 42.847 -8.086 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -38.471 41.292 -15.529 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -38.902 40.847 -14.799 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -39.189 41.664 -16.041 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -37.008 41.246 -8.196 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -37.919 41.303 -7.907 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -36.503 41.186 -7.385 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -38.527 42.875 -11.713 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -37.595 43.004 -11.535 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -38.742 43.545 -12.362 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -32.603 40.481 -4.932 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -33.280 40.612 -4.268 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -33.089 40.326 -5.742 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -39.853 44.070 -14.146 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -40.395 43.690 -14.837 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -39.019 44.264 -14.575 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -35.688 44.034 -6.309 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -35.124 43.487 -6.856 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -35.836 43.512 -5.520 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -36.518 48.635 -12.210 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -37.262 48.128 -12.533 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -36.652 48.684 -11.264 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.368 47.768 -3.424 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -28.726 48.225 -3.967 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -30.198 47.881 -3.886 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -34.392 50.094 -13.185 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -34.687 50.920 -12.803 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -35.095 49.474 -12.989 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -28.721 52.312 -12.191 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -29.094 51.486 -11.881 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -28.444 52.129 -13.088 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -31.561 47.120 -5.169 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -32.489 46.888 -5.196 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -31.110 46.343 -5.499 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -26.825 54.768 -14.169 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -26.082 55.354 -14.309 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -27.520 55.336 -13.836 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -30.463 48.961 -12.144 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -30.740 48.233 -11.588 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -29.536 49.080 -11.938 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -37.238 51.400 -15.923 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -36.999 50.652 -16.471 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -37.507 51.012 -15.091 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -34.016 40.885 -2.678 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -33.318 40.959 -2.028 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -34.397 40.021 -2.523 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -39.491 40.409 -13.120 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -39.574 41.298 -12.774 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -38.601 40.144 -12.889 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -30.690 44.909 -6.630 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -31.487 44.494 -6.959 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -30.245 44.218 -6.139 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -35.200 53.263 -15.785 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -35.844 52.632 -15.463 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -34.438 52.732 -16.017 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -30.596 53.080 -15.551 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -30.313 52.286 -15.098 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -29.856 53.313 -16.112 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -34.289 50.037 -15.958 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -34.557 50.217 -15.057 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -34.495 49.111 -16.089 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -37.421 45.205 -15.125 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -37.601 45.051 -16.053 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -36.470 45.313 -15.081 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -32.453 43.834 2.811 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -32.261 42.903 2.700 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -31.596 44.259 2.801 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -33.665 41.485 0.614 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -34.613 41.517 0.746 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -33.353 40.860 1.268 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -32.031 40.119 2.619 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -32.128 39.167 2.613 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -32.353 40.388 3.480 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -27.572 48.429 -11.705 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -26.722 48.850 -11.577 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -27.567 47.689 -11.097 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -27.419 49.267 -4.933 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -26.585 48.889 -5.214 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -27.307 50.210 -5.052 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -29.391 45.003 -9.318 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -29.541 44.058 -9.338 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -29.745 45.284 -8.474 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -28.535 46.973 0.321 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -27.952 46.239 0.512 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -27.971 47.745 0.367 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -27.038 44.876 1.005 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -27.901 44.497 0.840 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -26.434 44.137 0.931 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -29.040 43.904 -2.644 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -29.883 44.172 -2.278 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -28.597 44.726 -2.855 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -34.806 39.532 -6.799 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -35.481 38.903 -6.544 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -34.242 39.048 -7.402 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -37.900 38.093 -9.164 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -37.026 38.481 -9.194 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -38.036 37.878 -8.241 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -32.343 38.123 -7.515 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -32.267 38.218 -8.464 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -32.619 37.215 -7.386 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -41.782 39.880 -14.731 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -41.291 39.250 -15.259 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -41.159 40.176 -14.068 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -32.127 37.363 2.258 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -32.051 36.937 3.112 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -31.234 37.377 1.916 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -27.416 40.611 14.523 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -27.367 41.221 15.259 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -26.990 41.072 13.800 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -27.024 42.089 16.759 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -27.713 42.747 16.664 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -27.009 41.892 17.696 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -29.950 39.642 15.323 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -30.686 40.253 15.285 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -29.266 40.057 14.797 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -28.705 37.688 5.739 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -29.604 37.827 6.034 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -28.453 38.519 5.337 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -32.620 41.449 4.845 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -33.558 41.561 4.694 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -32.323 42.306 5.151 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -27.017 43.526 6.200 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -27.571 43.130 5.528 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -26.916 44.436 5.923 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -28.031 47.560 3.176 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -28.304 47.135 2.363 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -27.991 48.491 2.959 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -26.910 46.383 5.366 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -27.431 46.740 4.647 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -26.943 47.058 6.044 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -28.561 43.623 3.917 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -28.464 44.290 3.237 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -28.701 42.807 3.435 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -26.757 37.884 21.566 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -26.407 37.230 20.960 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -26.610 38.721 21.126 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -29.067 39.849 8.049 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -28.885 39.400 8.874 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -29.667 39.264 7.585 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -27.237 39.993 19.915 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -28.154 40.264 19.879 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -27.114 39.458 19.131 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -28.236 38.083 17.734 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -29.049 38.408 17.346 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -28.003 37.323 17.201 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -29.664 37.639 12.169 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -29.060 38.187 11.668 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -30.533 37.959 11.929 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -27.937 38.778 10.503 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -27.325 38.264 9.976 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -27.554 39.656 10.526 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -30.990 38.149 7.034 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -31.693 38.763 6.824 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -31.435 37.311 7.165 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -10.460 18.441 -17.511 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -10.260 18.865 -18.346 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -9.804 18.784 -16.904 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -10.095 15.724 -17.905 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -10.877 15.538 -18.425 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -10.167 16.653 -17.688 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -15.612 8.865 -5.600 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -15.650 8.219 -4.895 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -15.935 8.399 -6.371 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -11.906 11.804 -7.298 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -12.347 11.084 -6.848 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -11.919 12.525 -6.668 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -25.710 6.590 -10.079 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -26.158 7.436 -10.097 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -26.271 6.010 -10.594 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -25.000 8.752 -7.953 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -24.786 7.982 -7.426 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -24.262 8.841 -8.556 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -14.082 5.692 -4.866 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -13.939 4.745 -4.846 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -14.188 5.899 -5.795 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -20.927 3.793 -7.594 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -20.884 4.653 -8.012 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -21.385 3.241 -8.227 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -24.307 6.190 -6.832 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -23.653 5.640 -6.400 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -24.283 5.916 -7.748 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -19.151 7.740 -7.616 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -18.535 7.214 -7.107 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -19.737 7.100 -8.020 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -8.168 4.377 -2.097 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -8.857 5.035 -2.192 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -8.153 4.180 -1.160 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -22.117 2.711 -3.520 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -22.336 3.241 -4.286 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -22.785 2.938 -2.872 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -14.748 12.211 -9.976 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -15.044 11.889 -10.827 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -15.072 13.111 -9.934 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -22.523 4.603 -5.567 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -21.910 5.236 -5.194 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -22.011 4.131 -6.224 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -25.019 12.022 -11.663 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -25.291 12.251 -12.552 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -24.974 12.860 -11.203 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -11.983 13.326 -9.816 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -12.240 12.636 -10.428 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -11.912 12.883 -8.971 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -10.297 11.892 -1.339 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -10.157 11.301 -2.078 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -10.129 12.765 -1.695 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -12.521 7.238 -1.547 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -12.441 8.001 -0.975 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -13.122 7.517 -2.238 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -15.821 14.963 -9.495 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -15.347 15.258 -8.717 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -16.384 15.701 -9.728 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -21.783 8.764 -11.143 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -22.075 9.532 -11.634 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -22.457 8.104 -11.306 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -8.659 14.342 -14.740 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -8.586 15.281 -14.570 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -7.754 14.037 -14.797 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -25.690 11.127 -2.328 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -26.191 11.099 -3.143 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -25.684 10.221 -2.018 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -25.939 13.907 -5.444 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -24.993 13.763 -5.463 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -26.052 14.691 -4.907 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -16.349 17.919 -11.080 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -16.424 17.798 -12.026 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -16.316 18.869 -10.961 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -13.247 17.073 -14.077 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -12.872 16.329 -14.548 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -13.243 16.803 -13.159 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -13.578 16.999 -11.328 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -14.513 17.099 -11.149 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -13.298 16.290 -10.750 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -20.734 6.107 -9.282 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -21.627 5.766 -9.341 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -20.283 5.730 -10.038 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -16.096 6.698 1.023 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -16.659 5.994 1.343 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -15.270 6.578 1.490 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -14.930 7.607 -2.980 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -14.606 6.976 -3.623 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -15.370 7.072 -2.319 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -18.152 3.534 -8.196 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -19.063 3.591 -7.907 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -17.647 3.474 -7.385 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -23.324 5.163 -9.369 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -24.213 5.263 -9.709 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -23.028 4.321 -9.715 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -16.832 6.322 -6.309 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -16.268 5.775 -6.856 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -16.980 5.800 -5.520 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -18.206 4.710 -3.895 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -19.041 5.164 -3.785 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -17.682 4.986 -3.143 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -10.512 10.056 -3.424 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -9.870 10.513 -3.967 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -11.342 10.169 -3.886 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -25.529 8.679 -1.126 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -25.306 8.261 -0.294 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -26.131 8.066 -1.548 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -18.512 8.196 1.087 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -18.808 8.030 0.192 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -17.581 7.976 1.077 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -8.197 11.614 0.181 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -9.049 11.852 -0.186 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -7.607 11.597 -0.572 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -9.865 14.600 -12.191 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -10.238 13.774 -11.881 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -9.588 14.417 -13.088 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -12.705 9.408 -5.169 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -13.633 9.176 -5.196 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -12.254 8.631 -5.499 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -20.162 13.736 -9.036 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -19.635 14.509 -9.237 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -21.042 13.961 -9.338 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -18.735 11.399 -9.460 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -18.976 12.324 -9.418 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -19.475 10.940 -9.064 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -20.051 16.421 -9.915 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -21.001 16.526 -9.863 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -19.700 17.241 -9.570 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -7.969 17.056 -14.169 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -7.226 17.642 -14.309 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -8.664 17.624 -13.836 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -23.895 3.432 -1.568 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -24.788 3.771 -1.635 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -23.994 2.577 -1.150 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -11.607 11.249 -12.144 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -11.884 10.521 -11.588 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -10.680 11.368 -11.938 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -22.992 10.511 -12.957 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -23.678 10.863 -12.390 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -22.469 11.274 -13.203 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -16.707 14.956 -12.718 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -17.524 15.453 -12.665 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -16.178 15.431 -13.358 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -16.640 5.539 -1.561 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -16.521 6.113 -0.804 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -15.985 4.851 -1.446 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -19.369 15.999 -12.736 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -19.208 16.799 -13.237 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -19.566 16.306 -11.851 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -24.322 14.511 -10.110 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -25.154 14.984 -10.083 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -23.776 15.021 -10.709 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -11.740 15.368 -15.551 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -11.457 14.574 -15.098 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -11.000 15.601 -16.112 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -12.736 10.820 -1.010 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -11.991 11.408 -1.130 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -13.493 11.402 -0.947 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -24.294 8.134 1.594 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -23.886 7.277 1.473 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -24.554 8.149 2.515 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -20.007 4.498 0.051 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -19.857 3.769 -0.552 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -20.005 5.275 -0.508 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -19.595 2.868 -2.457 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -19.059 3.319 -3.109 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -20.447 2.760 -2.879 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -13.597 6.122 2.811 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -13.405 5.191 2.700 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -12.740 6.547 2.801 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -12.281 8.911 0.889 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -12.562 9.620 0.311 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -11.338 8.838 0.738 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -21.529 5.696 1.962 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -22.296 5.164 1.752 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -20.850 5.386 1.363 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -17.525 4.646 1.538 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -17.761 4.426 2.440 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -18.308 4.439 1.029 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -23.348 3.617 1.667 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -23.137 2.910 1.056 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -23.460 3.179 2.511 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -18.667 18.184 -14.124 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -17.734 18.342 -13.980 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -18.931 18.859 -14.749 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -25.580 16.294 -7.759 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -25.914 15.413 -7.587 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -25.358 16.639 -6.895 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -8.563 11.555 -4.933 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -7.729 11.177 -5.214 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -8.451 12.498 -5.052 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -9.679 9.261 0.321 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -9.096 8.527 0.512 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -9.115 10.033 0.367 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -8.182 7.164 1.005 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -9.045 6.785 0.840 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -7.578 6.425 0.931 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -25.902 4.640 0.833 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -24.983 4.518 1.069 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -26.352 3.890 1.222 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -7.901 0.172 2.710 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -7.551 -0.482 2.104 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -7.754 1.009 2.270 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -24.681 2.952 -6.276 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -24.236 2.160 -5.974 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -24.215 3.668 -5.845 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -26.377 5.951 -5.207 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -25.885 5.730 -5.997 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -26.015 6.792 -4.926 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -8.381 2.281 1.059 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -9.298 2.552 1.023 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -8.258 1.746 0.275 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -21.996 15.686 -6.792 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -22.215 14.770 -6.623 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -21.172 15.826 -6.326 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -24.886 16.200 -12.276 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -25.571 16.162 -12.944 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -24.883 17.113 -11.988 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -16.022 17.410 -13.879 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -15.156 17.776 -14.057 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -16.269 16.970 -14.692 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -23.068 17.120 -15.251 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -23.336 17.407 -14.378 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -22.297 16.574 -15.099 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -14.545 9.610 9.837 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -14.456 10.554 9.705 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -15.184 9.335 9.179 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -15.612 8.865 13.256 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -15.650 8.219 13.961 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -15.935 8.399 12.485 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -11.906 11.804 11.558 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -12.347 11.084 12.008 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -11.919 12.525 12.188 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -22.320 12.930 13.384 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -22.690 12.128 13.015 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -21.379 12.761 13.431 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -17.223 11.298 13.662 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -16.919 10.612 13.068 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -16.501 11.416 14.280 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -14.748 12.211 8.880 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -15.044 11.889 8.029 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -15.072 13.111 8.922 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -25.019 12.022 7.193 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -25.291 12.251 6.304 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -24.974 12.860 7.653 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -11.394 13.644 13.906 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -12.336 13.702 14.067 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -11.118 14.550 13.769 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -11.983 13.326 9.040 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -12.240 12.636 8.428 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -11.912 12.883 9.885 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -10.297 11.892 17.517 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -10.157 11.301 16.778 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -10.129 12.765 17.161 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -15.824 8.854 7.289 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -16.536 9.389 6.938 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -15.133 8.910 6.629 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -15.770 7.312 4.328 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -15.069 7.334 4.979 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -15.468 6.684 3.672 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -8.455 8.232 15.583 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -9.107 8.927 15.672 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -7.990 8.442 14.773 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -12.418 9.064 8.241 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -13.150 9.292 8.814 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -11.971 8.350 8.696 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -19.406 13.122 12.805 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -19.501 12.544 12.048 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -18.677 12.751 13.301 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -13.547 8.226 5.926 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -12.968 8.376 6.673 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -13.133 8.697 5.203 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -21.783 8.764 7.713 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -22.075 9.532 7.222 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -22.457 8.104 7.550 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -7.742 14.573 19.094 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -7.791 13.618 19.057 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -8.568 14.841 19.496 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -16.763 14.147 17.970 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -16.676 14.973 18.445 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -17.627 13.817 18.219 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -12.070 9.259 3.556 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -12.028 9.036 2.626 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -11.221 9.657 3.746 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -20.997 6.358 4.710 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -21.539 5.978 4.019 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -20.163 6.552 4.281 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -10.460 18.441 20.201 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -10.260 18.865 19.366 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -9.804 18.784 20.808 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -17.662 10.923 6.646 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -18.406 10.416 6.323 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -17.796 10.972 7.592 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -10.512 10.056 15.432 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -9.870 10.513 14.889 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -11.342 10.169 14.970 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -16.142 11.107 17.883 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -16.488 10.726 18.689 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -16.342 12.041 17.954 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -15.536 12.382 5.671 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -15.831 13.208 6.053 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -16.239 11.762 5.867 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -13.892 13.569 17.833 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -14.793 13.752 17.565 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -13.858 13.828 18.754 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -8.197 11.614 19.037 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -9.049 11.852 18.670 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -7.607 11.597 18.284 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -9.865 14.600 6.665 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -10.238 13.774 6.975 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -9.588 14.417 5.768 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -12.705 9.408 13.687 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -13.633 9.176 13.660 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -12.254 8.631 13.357 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -20.162 13.736 9.820 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -19.635 14.509 9.619 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -21.042 13.961 9.518 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -24.407 8.598 4.407 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -23.791 9.225 4.786 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -25.269 8.914 4.678 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -18.735 11.399 9.396 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -18.976 12.324 9.438 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -19.475 10.940 9.792 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -18.220 15.548 15.711 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -17.857 16.403 15.478 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -17.688 15.256 16.452 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -14.676 11.647 15.412 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -15.102 11.420 16.238 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -14.095 10.909 15.229 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -12.473 12.576 4.486 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -12.120 12.196 5.290 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -13.422 12.483 4.572 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -12.017 16.199 17.881 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -12.619 15.644 17.386 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -11.736 16.866 17.255 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -11.607 11.249 6.712 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -11.884 10.521 7.268 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -10.680 11.368 6.918 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -24.244 15.237 15.723 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -24.027 14.305 15.692 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -23.997 15.511 16.607 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -22.992 10.511 5.899 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -23.678 10.863 6.466 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -22.469 11.274 5.653 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -24.060 5.789 3.912 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -24.105 6.728 4.091 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -24.948 5.553 3.642 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -24.322 14.511 8.746 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -25.154 14.984 8.773 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -23.776 15.021 8.147 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -12.736 10.820 17.846 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -11.991 11.408 17.726 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -13.493 11.402 17.909 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -19.636 9.250 5.468 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -20.095 8.766 6.154 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -19.381 8.582 4.832 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -18.565 7.493 3.731 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -18.745 7.339 2.803 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -17.614 7.601 3.775 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -9.175 9.848 3.176 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -9.448 9.423 2.363 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -9.135 10.779 2.959 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -26.450 18.213 9.292 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -27.097 17.751 8.759 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -26.095 17.541 9.875 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -25.580 16.294 11.097 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -25.914 15.413 11.269 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -25.358 16.639 11.961 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -8.716 10.717 7.151 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -7.866 11.138 7.279 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -8.711 9.977 7.759 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -8.322 8.770 8.975 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -9.048 8.291 9.373 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -7.741 8.976 9.707 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -8.563 11.555 13.923 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -7.729 11.177 13.642 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -8.451 12.498 13.804 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -10.076 14.433 16.230 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -10.724 14.758 16.855 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -10.594 13.993 15.555 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -8.054 8.671 5.366 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -8.575 9.028 4.647 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -8.087 9.346 6.044 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -11.293 17.193 9.649 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -10.640 16.846 9.041 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -10.782 17.682 10.295 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -20.954 15.097 16.451 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -21.379 15.906 16.168 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -20.049 15.182 16.149 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -16.643 16.496 19.410 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -16.458 16.162 20.288 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -15.796 16.805 19.088 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -14.298 17.781 18.654 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -13.621 17.149 18.414 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -13.976 18.183 19.462 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -23.552 18.353 16.498 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -24.272 18.793 16.047 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -23.918 18.102 17.347 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -21.085 17.953 15.528 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -21.950 18.025 15.932 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -21.140 18.500 14.744 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -14.047 16.719 15.649 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -14.951 16.884 15.383 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -13.618 17.572 15.583 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -24.137 16.976 13.409 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -24.156 16.551 14.266 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -23.332 16.658 13.000 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -21.996 15.686 12.064 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -22.215 14.770 12.233 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -21.172 15.826 12.530 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -19.459 16.156 12.912 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -19.246 15.268 12.625 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -19.394 16.122 13.867 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -9.313 16.973 7.657 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -9.507 16.225 7.092 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -9.352 17.731 7.073 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -10.095 15.724 19.807 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -10.877 15.538 19.287 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -10.167 16.653 20.024 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -15.612 27.721 -24.456 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -15.650 27.075 -23.751 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -15.935 27.255 -25.227 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -22.320 31.786 -24.328 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -22.690 30.984 -24.697 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -21.379 31.617 -24.281 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -14.795 35.765 -25.942 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -14.175 35.088 -26.215 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -15.003 35.547 -25.034 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -17.223 30.154 -24.050 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -16.919 29.468 -24.644 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -16.501 30.272 -23.432 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -8.168 23.233 -20.953 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -8.857 23.891 -21.048 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -8.153 23.036 -20.016 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -19.548 29.243 -22.088 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -20.288 29.841 -21.985 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -18.834 29.797 -22.404 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -11.394 32.500 -23.806 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -12.336 32.558 -23.645 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -11.118 33.406 -23.943 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -13.142 34.281 -27.181 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -12.717 33.574 -27.666 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -12.825 35.082 -27.598 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -10.297 30.748 -20.195 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -10.157 30.157 -20.934 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -10.129 31.621 -20.551 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -8.455 27.088 -22.129 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -9.107 27.783 -22.040 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -7.990 27.298 -22.939 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -12.521 26.094 -20.403 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -12.441 26.857 -19.831 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -13.122 26.373 -21.094 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -19.406 31.978 -24.907 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -19.501 31.400 -25.664 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -18.677 31.607 -24.411 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -20.406 27.319 -23.955 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -19.841 27.440 -24.718 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -20.087 27.956 -23.316 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -14.097 32.822 -23.221 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -14.338 33.484 -22.573 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -14.295 31.988 -22.796 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -22.606 27.916 -20.009 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -22.536 28.567 -19.311 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -23.497 28.019 -20.344 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -15.821 33.819 -28.351 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -15.347 34.114 -27.573 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -16.384 34.557 -28.584 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -25.690 29.983 -21.184 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -26.191 29.955 -21.999 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -25.684 29.077 -20.874 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -25.939 32.763 -24.300 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -24.993 32.619 -24.319 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -26.052 33.547 -23.763 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -7.742 33.429 -18.618 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -7.791 32.474 -18.655 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -8.568 33.697 -18.216 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -16.349 36.775 -29.936 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -16.424 36.654 -30.882 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -16.316 37.725 -29.817 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -22.695 35.564 -28.155 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -22.543 35.216 -27.276 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -23.546 35.208 -28.410 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -23.441 31.306 -20.141 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -23.224 30.945 -19.281 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -24.296 30.932 -20.351 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -12.833 23.254 -19.917 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -13.347 23.128 -19.120 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -12.988 24.166 -20.162 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -16.096 25.554 -17.833 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -16.659 24.850 -17.513 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -15.270 25.434 -17.366 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -14.930 26.463 -21.836 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -14.606 25.832 -22.479 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -15.370 25.928 -21.175 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -22.862 29.771 -17.903 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -22.129 30.025 -17.342 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -23.642 29.975 -17.388 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -16.142 29.963 -19.829 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -16.488 29.582 -19.023 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -16.342 30.897 -19.758 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -22.537 29.074 -25.297 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -21.792 29.072 -25.898 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -22.459 28.250 -24.815 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -18.512 27.052 -17.769 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -18.808 26.886 -18.664 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -17.581 26.832 -17.779 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -13.892 32.425 -19.879 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -14.793 32.608 -20.147 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -13.858 32.684 -18.958 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -8.197 30.470 -18.675 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -9.049 30.708 -19.042 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -7.607 30.453 -19.428 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -12.705 28.264 -24.025 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -13.633 28.032 -24.052 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -12.254 27.487 -24.355 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -20.162 32.592 -27.892 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -19.635 33.365 -28.093 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -21.042 32.817 -28.194 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -20.051 35.277 -28.771 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -21.001 35.382 -28.719 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -19.700 36.097 -28.426 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -14.676 30.503 -22.300 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -15.102 30.276 -21.474 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -14.095 29.765 -22.483 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -24.244 34.093 -21.989 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -24.027 33.161 -22.020 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -23.997 34.367 -21.105 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -16.640 24.395 -20.417 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -16.521 24.969 -19.660 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -15.985 23.707 -20.302 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -10.436 22.302 -19.582 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -11.352 22.565 -19.670 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -10.100 22.299 -20.479 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -10.747 35.309 -23.864 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -10.903 35.987 -24.521 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -9.815 35.381 -23.661 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -24.322 33.367 -28.966 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -25.154 33.840 -28.939 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -23.776 33.877 -29.565 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -25.033 35.980 -17.636 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -24.493 35.763 -16.877 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -25.514 35.174 -17.826 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -20.436 34.899 -16.016 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -19.668 34.440 -15.675 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -20.457 34.673 -16.946 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -25.126 29.790 -16.682 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -24.982 28.888 -16.968 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -25.899 30.076 -17.170 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -18.471 29.760 -17.249 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -18.799 30.031 -18.107 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -18.319 28.819 -17.337 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -12.736 29.676 -19.866 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -11.991 30.264 -19.986 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -13.493 30.258 -19.803 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -24.294 26.990 -17.262 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -23.886 26.133 -17.383 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -24.554 27.005 -16.341 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -20.007 23.354 -18.805 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -19.857 22.625 -19.408 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -20.005 24.131 -19.364 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -18.013 27.163 -21.073 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -17.262 27.007 -21.646 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -18.352 28.015 -21.349 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -21.529 24.552 -16.894 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -22.296 24.020 -17.104 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -20.850 24.242 -17.493 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -17.525 23.502 -17.318 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -17.761 23.282 -16.416 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -18.308 23.295 -17.827 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -14.809 22.629 -18.242 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -15.757 22.661 -18.110 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -14.497 22.004 -17.588 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -13.175 21.263 -16.237 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -13.272 20.311 -16.243 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -13.497 21.532 -15.376 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -23.348 22.473 -17.189 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -23.137 21.766 -17.800 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -23.460 22.035 -16.345 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -18.214 20.157 -16.156 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -18.345 19.681 -16.977 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -18.813 20.901 -16.212 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -26.450 37.069 -28.420 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -27.097 36.607 -28.953 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -26.095 36.397 -27.837 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -25.580 35.150 -26.615 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -25.914 34.269 -26.443 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -25.358 35.495 -25.751 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -8.468 35.526 -20.713 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -8.955 34.791 -21.084 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -7.919 35.133 -20.035 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -10.017 31.316 -16.075 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -10.883 31.211 -15.681 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -9.641 32.075 -15.628 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -10.076 33.289 -21.482 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -10.724 33.614 -20.857 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -10.594 32.849 -22.157 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -9.679 28.117 -18.535 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -9.096 27.383 -18.344 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -9.115 28.889 -18.489 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -10.184 25.048 -21.500 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -11.027 25.316 -21.134 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -9.741 25.870 -21.711 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -25.902 23.496 -18.023 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -24.983 23.374 -17.787 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -26.352 22.746 -17.634 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -7.901 19.028 -16.146 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -7.551 18.374 -16.752 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -7.754 19.865 -16.586 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -8.381 21.137 -17.797 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -9.298 21.408 -17.833 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -8.258 20.602 -18.581 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -23.908 32.978 -17.520 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -24.729 33.153 -17.980 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -24.160 32.905 -16.599 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -11.442 37.145 -21.768 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -11.624 38.061 -21.979 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -11.266 36.735 -22.615 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -21.996 34.542 -25.648 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -22.215 33.626 -25.479 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -21.172 34.682 -25.182 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -21.693 19.175 -16.780 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -20.794 18.901 -16.965 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -22.079 18.432 -16.316 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -13.271 18.507 -16.598 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -13.195 18.081 -15.744 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -12.378 18.521 -16.940 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -8.659 33.198 -14.740 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -8.586 34.137 -14.570 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -7.754 32.893 -14.797 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -16.349 36.775 -11.080 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -16.424 36.654 -12.026 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -16.316 37.725 -10.961 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -13.578 35.855 -11.328 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -14.513 35.955 -11.149 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -13.298 35.146 -10.750 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -19.615 22.436 -15.529 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -20.046 21.991 -14.799 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -20.333 22.808 -16.041 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -20.997 25.214 -14.146 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -21.539 24.834 -14.837 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -20.163 25.408 -14.575 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -24.407 27.454 -14.449 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -23.791 28.081 -14.070 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -25.269 27.770 -14.178 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -18.382 32.544 -15.923 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -18.143 31.796 -16.471 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -18.651 32.156 -15.091 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -16.707 33.812 -12.718 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -17.524 34.309 -12.665 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -16.178 34.287 -13.358 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -20.635 21.553 -13.120 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -20.718 22.442 -12.774 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -19.745 21.288 -12.889 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -22.376 31.981 -14.060 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -21.784 32.680 -13.784 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -21.917 31.548 -14.779 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -24.060 24.645 -14.944 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -24.105 25.584 -14.765 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -24.948 24.409 -15.214 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -20.785 30.134 -15.694 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -20.721 29.340 -15.163 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -20.132 30.015 -16.383 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -25.099 31.676 -14.641 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -24.185 31.755 -14.368 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -25.092 30.989 -15.308 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -8.031 35.959 -4.779 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -8.053 36.144 -3.840 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -7.341 36.528 -5.120 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -8.468 35.526 -1.857 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -8.955 34.791 -2.228 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -7.919 35.133 -1.179 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -10.457 22.175 -15.822 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -9.847 21.803 -15.185 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -11.294 21.753 -15.626 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -24.787 19.108 -13.174 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -24.348 19.719 -13.765 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -25.421 19.646 -12.700 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -22.926 21.024 -14.731 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -22.435 20.394 -15.259 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -22.303 21.320 -14.068 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -23.068 35.976 -15.251 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -23.336 36.263 -14.378 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -22.297 35.430 -15.099 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -14.545 28.466 9.837 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -14.456 29.410 9.705 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -15.184 28.191 9.179 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -11.906 30.660 11.558 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -12.347 29.940 12.008 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -11.919 31.381 12.188 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -14.795 35.765 11.770 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -14.175 35.088 11.497 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -15.003 35.547 12.678 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -22.117 21.567 15.336 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -22.336 22.097 14.570 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -22.785 21.794 15.984 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -11.394 32.500 13.906 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -12.336 32.558 14.067 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -11.118 33.406 13.769 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -13.142 34.281 10.531 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -12.717 33.574 10.046 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -12.825 35.082 10.114 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -11.983 32.182 9.040 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -12.240 31.492 8.428 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -11.912 31.739 9.885 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -10.297 30.748 17.517 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -10.157 30.157 16.778 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -10.129 31.621 17.161 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -12.418 27.920 8.241 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -13.150 28.148 8.814 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -11.971 27.206 8.696 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -25.690 29.983 16.528 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -26.191 29.955 15.713 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -25.684 29.077 16.838 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -7.742 33.429 19.094 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -7.791 32.474 19.057 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -8.568 33.697 19.496 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -16.349 36.775 7.776 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -16.424 36.654 6.830 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -16.316 37.725 7.895 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -13.578 35.855 7.528 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -14.513 35.955 7.707 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -13.298 35.146 8.106 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -16.159 19.498 16.941 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -15.739 19.083 17.694 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -17.092 19.320 17.058 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -22.981 25.062 16.529 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -23.019 25.462 17.397 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -23.472 24.245 16.619 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -10.460 37.297 20.201 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -10.260 37.721 19.366 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -9.804 37.640 20.808 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -25.529 27.535 17.730 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -25.306 27.117 18.562 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -26.131 26.922 17.308 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -8.197 30.470 19.037 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -9.049 30.708 18.670 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -7.607 30.453 18.284 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -9.865 33.456 6.665 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -10.238 32.630 6.975 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -9.588 33.273 5.768 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -7.969 35.912 4.687 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -7.226 36.498 4.547 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -8.664 36.480 5.020 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -23.895 22.288 17.288 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -24.788 22.627 17.221 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -23.994 21.433 17.706 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -10.747 35.309 13.848 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -10.903 35.987 13.191 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -9.815 35.381 14.051 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -25.033 35.980 20.076 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -24.493 35.763 20.835 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -25.514 35.174 19.886 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -25.126 29.790 21.030 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -24.982 28.888 20.744 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -25.899 30.076 20.542 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -24.294 26.990 20.450 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -23.886 26.133 20.329 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -24.554 27.005 21.371 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -20.007 23.354 18.907 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -19.857 22.625 18.304 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -20.005 24.131 18.348 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -19.595 21.724 16.399 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -19.059 22.175 15.747 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -20.447 21.616 15.977 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -13.597 24.978 21.667 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -13.405 24.047 21.556 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -12.740 25.403 21.657 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -21.529 24.552 20.818 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -22.296 24.020 20.608 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -20.850 24.242 20.219 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -18.789 19.180 16.831 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -18.887 20.127 16.725 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -19.532 18.808 16.355 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -17.525 23.502 20.394 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -17.761 23.282 21.296 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -18.308 23.295 19.885 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -13.175 21.263 21.475 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -13.272 20.311 21.469 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -13.497 21.532 22.336 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -18.567 18.474 19.502 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -17.855 17.834 19.488 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -18.668 18.741 18.588 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -18.214 20.157 21.556 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -18.345 19.681 20.735 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -18.813 20.901 21.500 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -26.450 37.069 9.292 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -27.097 36.607 8.759 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -26.095 36.397 9.875 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -8.468 35.526 16.999 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -8.955 34.791 16.628 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -7.919 35.133 17.677 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -10.017 31.316 21.637 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -10.883 31.211 22.031 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -9.641 32.075 22.084 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -8.716 29.573 7.151 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -7.866 29.994 7.279 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -8.711 28.833 7.759 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -8.322 27.626 8.975 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -9.048 27.147 9.373 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -7.741 27.832 9.707 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -8.563 30.411 13.923 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -7.729 30.033 13.642 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -8.451 31.354 13.804 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -10.076 33.289 16.230 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -10.724 33.614 16.855 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -10.594 32.849 15.555 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -7.901 19.028 21.566 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -7.551 18.374 20.960 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -7.754 19.865 21.126 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -11.293 36.049 9.649 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -10.640 35.702 9.041 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -10.782 36.538 10.295 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -26.100 19.803 16.048 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -26.765 19.557 16.691 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -26.543 20.425 15.471 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -11.442 37.145 15.944 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -11.624 38.061 15.733 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -11.266 36.735 15.097 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -9.313 35.829 7.657 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -9.507 35.081 7.092 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -9.352 36.587 7.073 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -23.068 35.976 3.605 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -23.336 36.263 4.478 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -22.297 35.430 3.757 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -13.271 18.507 21.114 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -13.195 18.081 21.968 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -12.378 18.521 20.772 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -10.095 34.580 19.807 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -10.877 34.394 19.287 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -10.167 35.509 20.024 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -25.019 30.878 26.049 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -25.291 31.107 25.160 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -24.974 31.716 26.509 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -15.824 27.710 26.145 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -16.536 28.245 25.794 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -15.133 27.766 25.485 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -15.770 26.168 23.184 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -15.069 26.190 23.835 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -15.468 25.540 22.528 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -13.547 27.082 24.782 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -12.968 27.232 25.529 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -13.133 27.553 24.059 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -15.821 33.819 28.217 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -15.347 34.114 28.995 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -16.384 34.557 27.984 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -8.659 33.198 22.972 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -8.586 34.137 23.142 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -7.754 32.893 22.915 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -16.349 36.775 26.632 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -16.424 36.654 25.686 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -16.316 37.725 26.751 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -13.578 35.855 26.384 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -14.513 35.955 26.563 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -13.298 35.146 26.962 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -12.070 28.115 22.412 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -12.028 27.892 21.482 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -11.221 28.513 22.602 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -16.497 21.991 23.082 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -16.751 22.010 24.005 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -16.754 21.119 22.781 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -19.615 22.436 22.183 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -20.046 21.991 22.913 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -20.333 22.808 21.671 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -20.997 25.214 23.566 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -21.539 24.834 22.875 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -20.163 25.408 23.137 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -17.662 29.779 25.502 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -18.406 29.272 25.179 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -17.796 29.828 26.448 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -13.764 22.593 23.701 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -14.702 22.705 23.550 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -13.467 23.450 24.007 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -13.046 24.460 25.362 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -12.154 24.323 25.681 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -12.989 25.251 24.825 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -15.536 31.238 24.527 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -15.831 32.064 24.909 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -16.239 30.618 24.723 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -8.161 24.670 25.056 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -8.715 24.274 24.384 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -8.060 25.580 24.779 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -9.865 33.456 25.521 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -10.238 32.630 25.831 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -9.588 33.273 24.624 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -24.407 27.454 23.263 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -23.791 28.081 23.642 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -25.269 27.770 23.534 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -20.051 35.277 27.797 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -21.001 35.382 27.849 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -19.700 36.097 28.142 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -12.473 31.432 23.342 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -12.120 31.052 24.146 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -13.422 31.339 23.428 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -19.445 32.114 24.245 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -19.298 31.594 25.035 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -19.448 33.021 24.551 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -22.992 29.367 24.755 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -23.678 29.719 25.322 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -22.469 30.130 24.509 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -16.707 33.812 24.994 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -17.524 34.309 25.047 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -16.178 34.287 24.354 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -19.369 34.855 24.976 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -19.208 35.655 24.475 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -19.566 35.162 25.861 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -22.376 31.981 23.652 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -21.784 32.680 23.928 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -21.917 31.548 22.933 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -11.740 34.224 22.161 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -11.457 33.430 22.614 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -11.000 34.457 21.600 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -19.636 28.106 24.324 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -20.095 27.622 25.010 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -19.381 27.438 23.688 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -18.565 26.349 22.587 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -18.745 26.195 21.659 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -17.614 26.457 22.631 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -9.175 28.704 22.032 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -9.448 28.279 21.219 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -9.135 29.635 21.815 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -25.099 31.676 23.071 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -24.185 31.755 23.344 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -25.092 30.989 22.404 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -8.054 27.527 24.222 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -8.575 27.884 23.503 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -8.087 28.202 24.900 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -9.705 24.767 22.773 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -9.608 25.434 22.093 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -9.845 23.951 22.291 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -10.457 22.175 21.890 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -9.847 21.803 22.527 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -11.294 21.753 22.086 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -8.345 21.060 23.433 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -7.932 20.339 22.957 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -7.663 21.730 23.491 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -24.886 35.056 25.436 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -25.571 35.018 24.768 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -24.883 35.969 25.724 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -23.068 35.976 22.461 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -23.336 36.263 23.334 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -22.297 35.430 22.613 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -14.545 47.322 -27.875 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -14.456 48.266 -28.007 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -15.184 47.047 -28.533 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -22.320 50.642 -24.328 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -22.690 49.840 -24.697 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -21.379 50.473 -24.281 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -25.000 46.464 -26.809 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -24.786 45.694 -26.282 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -24.262 46.553 -27.412 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -17.223 49.010 -24.050 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -16.919 48.324 -24.644 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -16.501 49.128 -23.432 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -8.560 40.611 -23.189 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -8.511 41.221 -22.453 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -8.134 41.072 -23.912 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -14.082 43.404 -23.722 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -13.939 42.457 -23.702 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -14.188 43.611 -24.651 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -20.927 41.505 -26.450 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -20.884 42.365 -26.868 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -21.385 40.953 -27.083 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -13.205 41.636 -28.049 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -12.559 41.307 -27.424 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -12.695 42.154 -28.672 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -24.307 43.902 -25.688 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -23.653 43.352 -25.256 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -24.283 43.628 -26.604 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -8.168 42.089 -20.953 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -8.857 42.747 -21.048 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -8.153 41.892 -20.016 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -11.441 40.927 -26.068 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -11.656 40.161 -25.536 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -10.785 41.399 -25.555 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -21.140 50.063 -21.301 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -21.146 50.942 -21.679 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -21.994 49.980 -20.876 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -11.094 39.642 -22.389 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -11.830 40.253 -22.427 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -10.410 40.057 -22.915 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -15.824 46.566 -30.423 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -16.536 47.101 -30.774 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -15.133 46.622 -31.083 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -12.521 44.950 -20.403 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -12.441 45.713 -19.831 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -13.122 45.229 -21.094 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -20.773 47.406 -27.588 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -21.103 47.036 -28.407 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -20.185 46.736 -27.242 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -19.406 50.834 -24.907 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -19.501 50.256 -25.664 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -18.677 50.463 -24.411 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -14.097 51.678 -23.221 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -14.338 52.340 -22.573 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -14.295 50.844 -22.796 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -19.526 50.574 -19.238 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -19.838 51.356 -18.782 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -20.176 50.421 -19.924 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -21.287 52.646 -18.474 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -21.279 52.510 -19.422 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -22.203 52.528 -18.222 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -21.783 46.476 -29.999 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -22.075 47.244 -30.490 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -22.457 45.816 -30.162 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -25.690 48.839 -21.184 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -26.191 48.811 -21.999 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -25.684 47.933 -20.874 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -16.763 51.859 -19.742 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -16.676 52.685 -19.267 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -17.627 51.529 -19.493 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -10.590 43.778 -18.138 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -10.997 44.259 -18.858 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -10.549 42.873 -18.445 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -23.441 50.162 -20.141 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -23.224 49.801 -19.281 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -24.296 49.788 -20.351 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -20.734 43.819 -28.138 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -21.627 43.478 -28.197 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -20.283 43.442 -28.894 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -15.198 44.235 -29.321 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -15.607 45.050 -29.613 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -14.478 44.095 -29.936 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -14.194 43.681 -26.507 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -14.389 44.286 -27.222 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -14.012 42.847 -26.942 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -26.373 41.034 -27.333 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -25.742 41.005 -26.613 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -25.923 40.609 -28.063 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -18.152 41.246 -27.052 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -19.063 41.303 -26.763 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -17.647 41.186 -26.241 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -23.324 42.875 -28.225 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -24.213 42.975 -28.565 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -23.028 42.033 -28.571 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -19.671 42.875 -30.569 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -18.739 43.004 -30.391 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -19.886 43.545 -31.218 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -13.747 40.481 -23.788 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -14.424 40.612 -23.124 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -14.233 40.326 -24.598 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -21.830 40.170 -28.747 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -22.147 39.268 -28.782 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -21.049 40.172 -29.299 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -16.142 48.819 -19.829 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -16.488 48.438 -19.023 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -16.342 49.753 -19.758 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -22.537 47.930 -25.297 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -21.792 47.928 -25.898 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -22.459 47.106 -24.815 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -13.892 51.281 -19.879 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -14.793 51.464 -20.147 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -13.858 51.540 -18.958 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -12.705 47.120 -24.025 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -13.633 46.888 -24.052 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -12.254 46.343 -24.355 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -20.162 51.448 -27.892 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -19.635 52.221 -28.093 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -21.042 51.673 -28.194 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -18.735 49.111 -28.316 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -18.976 50.036 -28.274 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -19.475 48.652 -27.920 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -18.220 53.260 -22.001 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -17.857 54.115 -22.234 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -17.688 52.968 -21.260 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -14.676 49.359 -22.300 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -15.102 49.132 -21.474 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -14.095 48.621 -22.483 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -24.244 52.949 -21.989 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -24.027 52.017 -22.020 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -23.997 53.223 -21.105 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -17.176 42.265 -29.602 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -16.364 42.769 -29.556 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -17.421 42.120 -28.688 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -16.292 39.346 -28.664 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -16.639 39.964 -28.019 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -15.634 39.847 -29.145 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -10.436 41.158 -19.582 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -11.352 41.421 -19.670 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -10.100 41.155 -20.479 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -11.834 44.909 -25.486 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -12.631 44.494 -25.815 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -11.389 44.218 -24.995 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -25.033 54.836 -17.636 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -24.493 54.619 -16.877 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -25.514 54.030 -17.826 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -20.436 53.755 -16.016 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -19.668 53.296 -15.675 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -20.457 53.529 -16.946 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -12.736 48.532 -19.866 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -11.991 49.120 -19.986 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -13.493 49.114 -19.803 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -15.327 47.326 -16.610 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -14.374 47.410 -16.638 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -15.487 46.615 -15.991 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -12.281 46.623 -17.967 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -12.562 47.332 -18.545 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -11.338 46.550 -18.118 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -10.017 50.172 -16.075 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -10.883 50.067 -15.681 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -9.641 50.931 -15.628 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -25.500 47.081 -24.164 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -25.316 46.999 -25.099 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -24.651 46.957 -23.740 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -9.679 46.973 -18.535 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -9.096 46.239 -18.344 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -9.115 47.745 -18.489 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -8.182 44.876 -17.851 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -9.045 44.497 -18.016 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -7.578 44.137 -17.925 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -10.213 43.167 -24.276 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -9.280 43.379 -24.310 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -10.448 43.269 -23.353 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -10.184 43.904 -21.500 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -11.027 44.172 -21.134 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -9.741 44.726 -21.711 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -26.377 43.663 -24.063 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -25.885 43.442 -24.853 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -26.015 44.504 -23.782 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -26.100 38.659 -21.664 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -26.765 38.413 -21.021 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -26.543 39.281 -22.241 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -20.954 52.809 -21.261 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -21.379 53.618 -21.544 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -20.049 52.894 -21.563 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -9.380 38.083 -19.978 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -10.193 38.408 -20.366 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -9.147 37.323 -20.511 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -15.950 39.532 -25.655 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -16.625 38.903 -25.400 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -15.386 39.048 -26.258 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -10.808 37.639 -25.543 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -10.204 38.187 -26.044 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -11.677 37.959 -25.783 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -23.624 38.166 -27.833 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -24.401 37.932 -28.341 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -23.093 37.369 -27.825 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -19.044 38.093 -28.020 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -18.170 38.481 -28.050 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -19.180 37.878 -27.097 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -13.487 38.123 -26.371 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -13.411 38.218 -27.320 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -13.763 37.215 -26.242 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -15.612 46.577 -5.600 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -15.650 45.931 -4.895 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -15.935 46.111 -6.371 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -23.244 46.192 -4.007 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -23.202 45.566 -3.283 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -22.541 46.815 -3.825 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -11.906 49.516 -7.298 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -12.347 48.796 -6.848 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -11.919 50.237 -6.668 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -22.320 50.642 -5.472 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -22.690 49.840 -5.841 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -21.379 50.473 -5.425 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -17.223 49.010 -5.194 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -16.919 48.324 -5.788 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -16.501 49.128 -4.576 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -8.168 42.089 -2.097 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -8.857 42.747 -2.192 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -8.153 41.892 -1.160 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -14.748 49.923 -9.976 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -15.044 49.601 -10.827 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -15.072 50.823 -9.934 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -19.548 48.099 -3.232 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -20.288 48.697 -3.129 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -18.834 48.653 -3.548 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -21.140 50.063 -2.445 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -21.146 50.942 -2.823 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -21.994 49.980 -2.020 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -25.019 49.734 -11.663 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -25.291 49.963 -12.552 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -24.974 50.572 -11.203 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -11.983 51.038 -9.816 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -12.240 50.348 -10.428 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -11.912 50.595 -8.971 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -15.824 46.566 -11.567 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -16.536 47.101 -11.918 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -15.133 46.622 -12.227 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -8.455 45.944 -3.273 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -9.107 46.639 -3.184 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -7.990 46.154 -4.083 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -12.521 44.950 -1.547 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -12.441 45.713 -0.975 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -13.122 45.229 -2.238 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -19.406 50.834 -6.051 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -19.501 50.256 -6.808 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -18.677 50.463 -5.555 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -22.606 46.772 -1.153 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -22.536 47.423 -0.455 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -23.497 46.875 -1.488 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -25.690 48.839 -2.328 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -26.191 48.811 -3.143 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -25.684 47.933 -2.018 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -10.590 43.778 0.718 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -10.997 44.259 -0.002 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -10.549 42.873 0.411 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -23.441 50.162 -1.285 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -23.224 49.801 -0.425 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -24.296 49.788 -1.495 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -12.833 42.110 -1.061 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -13.347 41.984 -0.264 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -12.988 43.022 -1.306 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -22.981 43.918 -2.327 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -23.019 44.318 -1.459 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -23.472 43.101 -2.237 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -14.930 45.319 -2.980 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -14.606 44.688 -3.623 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -15.370 44.784 -2.319 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -18.206 42.422 -3.895 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -19.041 42.876 -3.785 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -17.682 42.698 -3.143 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -17.662 48.635 -12.210 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -18.406 48.128 -12.533 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -17.796 48.684 -11.264 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -10.512 47.768 -3.424 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -9.870 48.225 -3.967 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -11.342 47.881 -3.886 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -16.142 48.819 -0.973 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -16.488 48.438 -0.167 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -16.342 49.753 -0.902 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -15.536 50.094 -13.185 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -15.831 50.920 -12.803 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -16.239 49.474 -12.989 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -25.529 46.391 -1.126 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -25.306 45.973 -0.294 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -26.131 45.778 -1.548 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -8.161 43.526 -12.656 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -8.715 43.130 -13.328 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -8.060 44.436 -12.933 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -12.705 47.120 -5.169 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -13.633 46.888 -5.196 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -12.254 46.343 -5.499 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -20.162 51.448 -9.036 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -19.635 52.221 -9.237 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -21.042 51.673 -9.338 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -14.676 49.359 -3.444 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -15.102 49.132 -2.618 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -14.095 48.621 -3.627 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -12.473 50.288 -14.370 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -12.120 49.908 -13.566 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -13.422 50.195 -14.284 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -11.607 48.961 -12.144 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -11.884 48.233 -11.588 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -10.680 49.080 -11.938 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -18.382 51.400 -15.923 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -18.143 50.652 -16.471 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -18.651 51.012 -15.091 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -15.160 40.885 -2.678 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -14.462 40.959 -2.028 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -15.541 40.021 -2.523 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -16.707 52.668 -12.718 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -17.524 53.165 -12.665 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -16.178 53.143 -13.358 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -16.640 43.251 -1.561 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -16.521 43.825 -0.804 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -15.985 42.563 -1.446 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -19.369 53.711 -12.736 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -19.208 54.511 -13.237 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -19.566 54.018 -11.851 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -10.436 41.158 -0.726 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -11.352 41.421 -0.814 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -10.100 41.155 -1.623 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -24.322 52.223 -10.110 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -25.154 52.696 -10.083 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -23.776 52.733 -10.709 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -16.344 53.263 -15.785 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -16.988 52.632 -15.463 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -15.582 52.732 -16.017 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -15.433 50.037 -15.958 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -15.701 50.217 -15.057 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -15.639 49.111 -16.089 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -24.294 45.846 1.594 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -23.886 44.989 1.473 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -24.554 45.861 2.515 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -20.347 44.855 -1.032 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -20.965 45.530 -0.751 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -20.003 45.176 -1.865 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -9.175 47.560 -15.680 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -9.448 47.135 -16.493 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -9.135 48.491 -15.897 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -20.007 42.210 0.051 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -19.857 41.481 -0.552 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -20.005 42.987 -0.508 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -19.595 40.580 -2.457 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -19.059 41.031 -3.109 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -20.447 40.472 -2.879 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -18.013 46.019 -2.217 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -17.262 45.863 -2.790 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -18.352 46.871 -2.493 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -13.597 43.834 2.811 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -13.405 42.903 2.700 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -12.740 44.259 2.801 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -21.529 43.408 1.962 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -22.296 42.876 1.752 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -20.850 43.098 1.363 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -17.525 42.358 1.538 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -17.761 42.138 2.440 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -18.308 42.151 1.029 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -14.809 41.485 0.614 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -15.757 41.517 0.746 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -14.497 40.860 1.268 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -13.175 40.119 2.619 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -13.272 39.167 2.613 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -13.497 40.388 3.480 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -8.716 48.429 -11.705 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -7.866 48.850 -11.577 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -8.711 47.689 -11.097 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -8.322 46.482 -9.881 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -9.048 46.003 -9.483 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -7.741 46.688 -9.149 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -8.563 49.267 -4.933 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -7.729 48.889 -5.214 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -8.451 50.210 -5.052 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -8.054 46.383 -13.490 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -8.575 46.740 -14.209 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -8.087 47.058 -12.812 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -25.500 47.081 -5.308 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -25.316 46.999 -6.243 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -24.651 46.957 -4.884 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -10.184 43.904 -2.644 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -11.027 44.172 -2.278 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -9.741 44.726 -2.855 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -7.901 37.884 2.710 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -7.551 37.230 2.104 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -7.754 38.721 2.270 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -8.381 39.993 1.059 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -9.298 40.264 1.023 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -8.258 39.458 0.275 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -21.996 53.398 -6.792 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -22.215 52.482 -6.623 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -21.172 53.538 -6.326 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -24.886 53.912 -12.276 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -25.571 53.874 -12.944 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -24.883 54.825 -11.988 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -17.900 40.173 -12.274 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -17.722 39.527 -11.591 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -17.954 41.007 -11.807 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -23.068 54.832 -15.251 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -23.336 55.119 -14.378 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -22.297 54.286 -15.099 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -14.082 43.404 13.990 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -13.939 42.457 14.010 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -14.188 43.611 13.061 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -20.927 41.505 11.262 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -20.884 42.365 10.844 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -21.385 40.953 10.629 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -24.307 43.902 12.024 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -23.653 43.352 12.456 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -24.283 43.628 11.108 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -22.523 42.315 13.289 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -21.910 42.948 13.662 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -22.011 41.843 12.632 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -11.094 39.642 15.323 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -11.830 40.253 15.285 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -10.410 40.057 14.797 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -9.849 37.688 5.739 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -10.748 37.827 6.034 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -9.597 38.519 5.337 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -12.833 42.110 17.795 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -13.347 41.984 18.592 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -12.988 43.022 17.550 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -16.497 40.847 4.226 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -16.751 40.866 5.149 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -16.754 39.975 3.925 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -20.731 43.598 14.662 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -21.373 43.557 15.371 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -20.694 44.524 14.424 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -20.734 43.819 9.574 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -21.627 43.478 9.515 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -20.283 43.442 8.818 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -16.096 44.410 19.879 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -16.659 43.706 20.199 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -15.270 44.290 20.346 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -22.981 43.918 16.529 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -23.019 44.318 17.397 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -23.472 43.101 16.619 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -19.615 41.292 3.327 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -20.046 40.847 4.057 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -20.333 41.664 2.815 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -26.373 41.034 10.379 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -25.742 41.005 11.099 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -25.923 40.609 9.649 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -25.098 41.780 5.803 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -24.624 42.371 5.218 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -25.816 42.311 6.150 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -18.152 41.246 10.660 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -19.063 41.303 10.949 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -17.647 41.186 11.471 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -23.324 42.875 9.487 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -24.213 42.975 9.147 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -23.028 42.033 9.141 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -13.747 40.481 13.924 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -14.424 40.612 14.588 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -14.233 40.326 13.114 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.997 44.070 4.710 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -21.539 43.690 4.019 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -20.163 44.264 4.281 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -16.832 44.034 12.547 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -16.268 43.487 12.000 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -16.980 43.512 13.336 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -21.830 40.170 8.965 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -22.147 39.268 8.930 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -21.049 40.172 8.413 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -18.206 42.422 14.961 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -19.041 42.876 15.071 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -17.682 42.698 15.713 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -13.764 41.449 4.845 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -14.702 41.561 4.694 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -13.467 42.306 5.151 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -24.407 46.310 4.407 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -23.791 46.937 4.786 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -25.269 46.626 4.678 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -23.895 41.144 17.288 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -24.788 41.483 17.221 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -23.994 40.289 17.706 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -15.160 40.885 16.178 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -14.462 40.959 16.828 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -15.541 40.021 16.333 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -14.376 40.537 7.275 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -14.156 41.009 6.472 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -13.818 40.932 7.946 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -17.176 42.265 8.110 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -16.364 42.769 8.156 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -17.421 42.120 9.024 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -16.640 43.251 17.295 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -16.521 43.825 18.052 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -15.985 42.563 17.410 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -16.292 39.346 9.048 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -16.639 39.964 9.693 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -15.634 39.847 8.567 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -20.635 40.409 5.736 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -20.718 41.298 6.082 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -19.745 40.144 5.967 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -10.436 41.158 18.130 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -11.352 41.421 18.042 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -10.100 41.155 17.233 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -24.060 43.501 3.912 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -24.105 44.440 4.091 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -24.948 43.265 3.642 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -20.347 44.855 17.824 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -20.965 45.530 18.105 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -20.003 45.176 16.991 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -20.007 42.210 18.907 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -19.857 41.481 18.304 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -20.005 42.987 18.348 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -13.597 43.834 21.667 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -13.405 42.903 21.556 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -12.740 44.259 21.657 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -21.529 43.408 20.818 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -22.296 42.876 20.608 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -20.850 43.098 20.219 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -17.525 42.358 20.394 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -17.761 42.138 21.296 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -18.308 42.151 19.885 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -14.809 41.485 19.470 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -15.757 41.517 19.602 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -14.497 40.860 20.124 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -13.175 40.119 21.475 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -13.272 39.167 21.469 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -13.497 40.388 22.336 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -23.348 41.329 20.523 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -23.137 40.622 19.912 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -23.460 40.891 21.367 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -18.214 39.013 21.556 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -18.345 38.537 20.735 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -18.813 39.757 21.500 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -10.457 41.031 3.034 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -9.847 40.659 3.671 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -11.294 40.609 3.230 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -25.902 42.352 19.689 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -24.983 42.230 19.925 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -26.352 41.602 20.078 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -7.901 37.884 21.566 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -7.551 37.230 20.960 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -7.754 38.721 21.126 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -24.681 40.664 12.580 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -24.236 39.872 12.882 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -24.215 41.380 13.011 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -26.377 43.663 13.649 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -25.885 43.442 12.859 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -26.015 44.504 13.930 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -8.381 39.993 19.915 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -9.298 40.264 19.879 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -8.258 39.458 19.131 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -26.064 39.921 7.704 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -26.989 40.130 7.574 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -25.610 40.405 7.014 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -26.100 38.659 16.048 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -26.765 38.413 16.691 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -26.543 39.281 15.471 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -9.380 38.083 17.734 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -10.193 38.408 17.346 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -9.147 37.323 17.201 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -15.950 39.532 12.057 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -16.625 38.903 12.312 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -15.386 39.048 11.454 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -24.787 37.964 5.682 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -24.348 38.575 5.091 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -25.421 38.502 6.156 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -13.487 38.123 11.341 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -13.411 38.218 10.392 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -13.763 37.215 11.470 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -12.134 38.149 7.034 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -12.837 38.763 6.824 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -12.579 37.311 7.165 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -22.926 39.880 4.125 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -22.435 39.250 3.597 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -22.303 40.176 4.788 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -17.900 40.173 6.582 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -17.722 39.527 7.265 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -17.954 41.007 7.049 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -23.666 38.680 19.396 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -24.032 37.915 19.839 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -22.753 38.709 19.683 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -9.849 37.688 24.595 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -10.748 37.827 24.890 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -9.597 38.519 24.193 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -16.497 40.847 23.082 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -16.751 40.866 24.005 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -16.754 39.975 22.781 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -19.615 41.292 22.183 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -20.046 40.847 22.913 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -20.333 41.664 21.671 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -13.764 41.449 23.701 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -14.702 41.561 23.550 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -13.467 42.306 24.007 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -14.376 40.537 26.131 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -14.156 41.009 25.328 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -13.818 40.932 26.802 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -16.292 39.346 27.904 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -16.639 39.964 28.549 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -15.634 39.847 27.423 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -20.635 40.409 24.592 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -20.718 41.298 24.938 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -19.745 40.144 24.823 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -10.457 41.031 21.890 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -9.847 40.659 22.527 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -11.294 40.609 22.086 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -24.787 37.964 24.538 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -24.348 38.575 23.947 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -25.421 38.502 25.012 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -12.134 38.149 25.890 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -12.837 38.763 25.680 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -12.579 37.311 26.021 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -22.926 39.880 22.981 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -22.435 39.250 22.453 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -22.303 40.176 23.644 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -17.900 40.173 25.438 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -17.722 39.527 26.121 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -17.954 41.007 25.905 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 8.559 -6.964 -1.339 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 8.699 -7.555 -2.078 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 8.727 -6.091 -1.695 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -0.670 -5.994 -0.382 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -0.982 -5.212 0.074 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -1.320 -6.147 -1.068 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -2.431 -3.922 0.382 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -2.423 -4.058 -0.566 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -3.347 -4.040 0.634 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 2.093 -4.709 -0.886 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 2.180 -3.883 -0.411 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 1.229 -5.039 -0.637 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 4.964 -5.287 -1.023 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 4.063 -5.104 -1.291 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 4.998 -5.028 -0.102 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 10.659 -7.242 0.181 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 9.807 -7.004 -0.186 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 11.249 -7.259 -0.572 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 0.636 -3.308 -3.145 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 0.999 -2.453 -3.378 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 1.168 -3.600 -2.404 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 6.839 -2.657 -0.975 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 6.237 -3.212 -1.470 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 7.120 -1.990 -1.601 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -6.177 -1.732 1.220 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -5.637 -1.949 1.979 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -6.658 -2.538 1.030 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -1.580 -2.813 2.840 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -0.812 -3.272 3.181 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -1.601 -3.039 1.910 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 4.997 -4.433 1.569 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 4.646 -5.289 1.812 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 5.723 -4.290 2.176 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 10.388 -2.186 -1.857 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 9.901 -2.921 -2.228 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 10.937 -2.579 -1.179 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 8.839 -6.396 2.781 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 7.973 -6.501 3.175 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 9.215 -5.637 3.228 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 8.780 -4.423 -2.626 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 8.132 -4.098 -2.001 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 8.262 -4.863 -3.301 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 9.177 -9.595 0.321 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 9.760 -10.329 0.512 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 9.741 -8.823 0.367 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 10.674 -11.692 1.005 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 9.811 -12.071 0.840 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 11.278 -12.431 0.931 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -4.696 -0.503 -2.358 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -5.416 -0.063 -2.809 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -5.062 -0.754 -1.509 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -2.229 -0.903 -3.328 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -3.094 -0.831 -2.924 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -2.284 -0.356 -4.112 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 2.482 -1.015 -4.152 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 2.025 -0.486 -4.806 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 2.645 -0.412 -3.427 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 4.809 -2.137 -3.207 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 3.905 -1.972 -3.473 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 5.238 -1.284 -3.273 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 7.414 -0.567 -2.912 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 7.232 0.349 -3.123 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 7.590 -0.977 -3.759 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 8.761 -3.132 0.951 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 7.979 -3.318 0.431 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 8.689 -2.203 1.168 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 6.950 -7.052 11.558 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 6.509 -7.772 12.008 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 6.937 -6.331 12.188 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 4.061 -1.947 11.770 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 4.681 -2.624 11.497 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 3.853 -2.165 12.678 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 4.108 -6.645 8.880 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 3.812 -6.967 8.029 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 3.784 -5.745 8.922 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 5.714 -3.431 10.531 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 6.139 -4.138 10.046 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 6.031 -2.630 10.114 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 6.873 -5.530 9.040 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 6.616 -6.220 8.428 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 6.944 -5.973 9.885 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 3.035 -3.893 9.361 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 3.509 -3.598 10.139 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 2.472 -3.155 9.128 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 2.507 -0.937 7.776 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 2.432 -1.058 6.830 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 2.540 0.013 7.895 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 5.278 -1.857 7.528 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 4.343 -1.757 7.707 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 5.558 -2.566 8.106 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 6.786 -9.597 3.556 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 6.828 -9.820 2.626 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 7.635 -9.199 3.746 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 3.320 -6.474 5.671 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 3.025 -5.648 6.053 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 2.617 -7.094 5.867 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 10.695 -13.042 6.200 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 10.141 -13.438 5.528 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 10.796 -12.132 5.923 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 6.383 -6.280 4.486 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 6.736 -6.660 5.290 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 5.434 -6.373 4.572 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 7.249 -7.607 6.712 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 6.972 -8.335 7.268 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 8.176 -7.488 6.918 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 0.474 -5.168 2.933 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 0.713 -5.916 2.385 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 0.205 -5.556 3.765 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -0.589 -5.598 5.389 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -0.442 -6.118 6.179 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -0.592 -4.691 5.695 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 2.149 -3.900 6.138 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 1.332 -3.403 6.191 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 2.678 -3.425 5.498 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -0.513 -2.857 6.120 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -0.352 -2.057 5.619 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -0.710 -2.550 7.005 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 8.109 -2.403 13.848 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 7.953 -1.725 13.191 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 9.041 -2.331 14.051 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 7.116 -3.488 3.305 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 7.399 -4.282 3.758 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 7.856 -3.255 2.744 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 3.423 -6.531 2.898 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 3.155 -6.351 3.799 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 3.217 -7.457 2.767 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 9.681 -9.008 3.176 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 9.408 -9.433 2.363 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 9.721 -8.077 2.959 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 0.189 -0.672 4.732 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 1.122 -0.514 4.876 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -0.075 0.003 4.107 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 10.825 -1.753 14.077 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 10.803 -1.568 15.016 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 11.515 -1.184 13.736 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 10.140 -8.139 7.151 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 10.990 -7.718 7.279 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 10.145 -8.879 7.759 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 10.534 -10.086 8.975 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 9.808 -10.565 9.373 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 11.115 -9.880 9.707 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 10.802 -10.185 5.366 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 10.281 -9.828 4.647 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 10.769 -9.510 6.044 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 9.151 -12.945 3.917 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 9.248 -12.278 3.237 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 9.011 -13.761 3.435 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -4.212 -1.736 3.605 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -4.480 -1.449 4.478 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -3.441 -2.282 3.757 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -6.177 17.124 -17.636 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -5.637 16.907 -16.877 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -6.658 16.318 -17.826 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -4.388 8.480 -4.007 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -4.346 7.854 -3.283 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -3.685 9.103 -3.825 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -3.464 12.930 -5.472 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -3.834 12.128 -5.841 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -2.523 12.761 -5.425 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 1.633 11.298 -5.194 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 1.937 10.612 -5.788 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 2.355 11.416 -4.576 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 4.774 5.692 -4.866 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 4.917 4.745 -4.846 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 4.668 5.899 -5.795 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 10.688 4.377 -2.097 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 9.999 5.035 -2.192 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 10.703 4.180 -1.160 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -3.261 2.711 -3.520 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -3.480 3.241 -4.286 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -3.929 2.938 -2.872 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -0.692 10.387 -3.232 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -1.432 10.985 -3.129 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 0.022 10.941 -3.548 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -3.667 4.603 -5.567 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -3.054 5.236 -5.194 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -3.155 4.131 -6.224 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -2.284 12.351 -2.445 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -2.290 13.230 -2.823 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -3.138 12.268 -2.020 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 7.762 1.930 -3.533 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 7.026 2.541 -3.571 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 8.446 2.345 -4.059 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 8.559 11.892 -1.339 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 8.699 11.301 -2.078 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 8.727 12.765 -1.695 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 6.335 7.238 -1.547 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 6.415 8.001 -0.975 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 5.734 7.517 -2.238 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -0.550 13.122 -6.051 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -0.645 12.544 -6.808 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 0.179 12.751 -5.555 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -1.550 8.463 -5.099 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -0.985 8.584 -5.862 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -1.231 9.100 -4.460 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -6.834 11.127 -2.328 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -7.335 11.099 -3.143 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -6.828 10.221 -2.018 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 2.093 14.147 -0.886 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 2.180 14.973 -0.411 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 1.229 13.817 -0.637 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -3.839 16.708 -9.299 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -3.687 16.360 -8.420 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -4.690 16.352 -9.554 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 8.266 6.066 0.718 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 7.859 6.547 -0.002 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 8.307 5.161 0.411 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -4.585 12.450 -1.285 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -4.368 12.089 -0.425 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -5.440 12.076 -1.495 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -1.966 0.920 -5.289 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -2.827 0.833 -5.697 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -1.988 1.776 -4.862 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 2.697 0.642 -1.915 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 3.117 0.227 -1.162 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 1.764 0.464 -1.798 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 6.023 4.398 -1.061 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 5.509 4.272 -0.264 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 5.868 5.310 -1.306 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -1.875 5.886 -4.194 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -2.517 5.845 -3.485 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -1.838 6.812 -4.432 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -4.125 6.206 -2.327 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -4.163 6.606 -1.459 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -4.616 5.389 -2.237 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 3.926 7.607 -2.980 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 4.250 6.976 -3.623 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 3.486 7.072 -2.319 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 5.109 2.769 -4.932 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 4.432 2.900 -4.268 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 4.623 2.614 -5.742 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 0.650 4.710 -3.895 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -0.185 5.164 -3.785 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 1.174 4.986 -3.143 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 2.714 11.107 -0.973 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 2.368 10.726 -0.167 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 2.514 12.041 -0.902 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -3.681 10.218 -6.441 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -2.936 10.216 -7.042 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -3.603 9.394 -5.959 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -6.673 8.679 -1.126 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -6.450 8.261 -0.294 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -7.275 8.066 -1.548 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 4.964 13.569 -1.023 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 4.063 13.752 -1.291 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 4.998 13.828 -0.102 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 10.659 11.614 0.181 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 9.807 11.852 -0.186 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 11.249 11.597 -0.572 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 0.636 15.548 -3.145 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 0.999 16.403 -3.378 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 1.168 15.256 -2.404 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 4.180 11.647 -3.444 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 3.754 11.420 -2.618 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 4.761 10.909 -3.627 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -5.039 3.432 -1.568 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -5.932 3.771 -1.635 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -5.138 2.577 -1.150 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 3.696 3.173 -2.678 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 4.394 3.247 -2.028 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 3.315 2.309 -2.523 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 2.216 5.539 -1.561 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 2.335 6.113 -0.804 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 2.871 4.851 -1.446 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 8.420 3.446 -0.726 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 7.504 3.709 -0.814 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 8.756 3.443 -1.623 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -5.466 14.511 -10.110 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -6.298 14.984 -10.083 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -4.920 15.021 -10.709 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 4.997 14.423 1.569 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 4.646 13.567 1.812 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 5.723 14.566 2.176 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -6.270 10.934 2.174 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -6.126 10.032 1.888 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -7.043 11.220 1.686 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 6.120 10.820 -1.010 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 6.865 11.408 -1.130 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 5.363 11.402 -0.947 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -5.438 8.134 1.594 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -5.030 7.277 1.473 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -5.698 8.149 2.515 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 0.843 8.307 -2.217 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 1.594 8.151 -2.790 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 0.504 9.159 -2.493 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 6.575 8.911 0.889 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 6.294 9.620 0.311 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 7.518 8.838 0.738 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 0.067 0.324 -2.025 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -0.031 1.271 -2.131 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -0.676 -0.048 -2.501 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 8.839 12.460 2.781 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 7.973 12.355 3.175 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 9.215 13.219 3.228 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 9.177 9.261 0.321 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 9.760 8.527 0.512 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 9.741 10.033 0.367 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 10.674 7.164 1.005 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 9.811 6.785 0.840 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 11.278 6.425 0.931 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 8.672 6.192 -2.644 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 7.829 6.460 -2.278 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 9.115 7.014 -2.855 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -7.046 4.640 0.833 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -6.127 4.518 1.069 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -7.496 3.890 1.222 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 10.475 2.281 1.059 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 9.558 2.552 1.023 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 10.598 1.746 0.275 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -7.244 0.947 -2.808 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -7.909 0.701 -2.165 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -7.687 1.569 -3.385 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -5.052 14.122 1.336 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -5.873 14.297 0.876 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -5.304 14.049 2.257 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -2.098 15.097 -2.405 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -2.523 15.906 -2.688 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -1.193 15.182 -2.707 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 2.213 16.496 0.554 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 2.398 16.162 1.432 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 3.060 16.805 0.232 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 9.476 0.371 -1.122 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 8.663 0.696 -1.510 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 9.709 -0.389 -1.655 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -2.229 17.953 -3.328 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -3.094 18.025 -2.924 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -2.284 18.500 -4.112 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -3.140 15.686 -6.792 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -3.359 14.770 -6.623 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -2.316 15.826 -6.326 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -0.603 16.156 -5.944 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -0.390 15.268 -6.231 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -0.538 16.122 -4.989 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -6.030 16.200 -12.276 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -6.715 16.162 -12.944 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -6.027 17.113 -11.988 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -4.810 0.968 0.540 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -5.176 0.203 0.983 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -3.897 0.997 0.827 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -4.212 17.120 -15.251 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -4.480 17.407 -14.378 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -3.441 16.574 -15.099 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -4.388 8.480 14.849 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -4.346 7.854 15.573 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -3.685 9.103 15.031 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -6.854 6.590 8.777 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -7.302 7.436 8.759 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -7.415 6.010 8.262 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -6.144 8.752 10.903 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -5.930 7.982 11.430 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -5.406 8.841 10.300 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 4.061 16.909 11.770 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 4.681 16.232 11.497 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 3.853 16.691 12.678 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 10.296 2.899 14.523 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 10.345 3.509 15.259 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 10.722 3.360 13.800 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 4.774 5.692 13.990 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 4.917 4.745 14.010 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 4.668 5.899 13.061 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -2.071 3.793 11.262 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -2.028 4.653 10.844 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -2.529 3.241 10.629 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 5.651 3.924 9.663 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 6.297 3.595 10.288 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 6.161 4.442 9.040 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -5.451 6.190 12.024 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -4.797 5.640 12.456 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -5.427 5.916 11.108 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -3.667 4.603 13.289 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -3.054 5.236 13.662 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -3.155 4.131 12.632 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -6.163 12.022 7.193 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -6.435 12.251 6.304 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -6.118 12.860 7.653 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 7.462 13.644 13.906 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 6.520 13.702 14.067 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 7.738 14.550 13.769 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 7.762 1.930 15.323 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 7.026 2.541 15.285 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 8.446 2.345 14.797 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 5.714 15.425 10.531 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 6.139 14.718 10.046 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 6.031 16.226 10.114 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 8.559 11.892 17.517 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 8.699 11.301 16.778 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 8.727 12.765 17.161 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 10.401 8.232 15.583 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 9.749 8.927 15.672 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 10.866 8.442 14.773 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 6.335 7.238 17.309 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 6.415 8.001 17.881 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 5.734 7.517 16.618 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -3.750 9.060 17.703 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -3.680 9.711 18.401 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -4.641 9.163 17.368 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 10.197 14.342 4.116 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 10.270 15.281 4.286 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 11.102 14.037 4.059 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -6.834 11.127 16.528 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -7.335 11.099 15.713 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -6.828 10.221 16.838 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 2.507 17.919 7.776 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 2.432 17.798 6.830 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 2.540 18.869 7.895 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 5.609 17.073 4.779 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 5.984 16.329 4.308 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 5.613 16.803 5.697 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 5.278 16.999 7.528 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 4.343 17.099 7.707 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 5.558 16.290 8.106 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -1.875 5.886 14.662 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -2.517 5.845 15.371 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -1.838 6.812 14.424 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -1.878 6.107 9.574 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -2.771 5.766 9.515 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -1.427 5.730 8.818 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 2.760 6.698 19.879 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 2.197 5.994 20.199 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 3.586 6.578 20.346 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 4.662 5.969 11.205 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 4.467 6.574 10.490 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 4.844 5.135 10.770 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -4.125 6.206 16.529 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -4.163 6.606 17.397 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -4.616 5.389 16.619 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -6.242 4.068 5.803 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -5.768 4.659 5.218 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -6.960 4.599 6.150 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 3.926 7.607 15.876 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 4.250 6.976 15.233 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 3.486 7.072 16.537 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 0.704 3.534 10.660 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -0.207 3.591 10.949 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 1.209 3.474 11.471 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -4.468 5.163 9.487 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -5.357 5.263 9.147 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -4.172 4.321 9.141 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -0.815 5.163 7.143 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 0.117 5.292 7.321 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -1.030 5.833 6.494 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 5.109 2.769 13.924 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 4.432 2.900 14.588 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 4.623 2.614 13.114 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -4.006 10.915 19.809 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -3.273 11.169 20.370 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -4.786 11.119 20.324 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -2.974 2.458 8.965 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -3.291 1.556 8.930 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -2.193 2.460 8.413 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 0.650 4.710 14.961 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -0.185 5.164 15.071 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 1.174 4.986 15.713 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 8.344 10.056 15.432 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 8.986 10.513 14.889 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 7.514 10.169 14.970 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 2.714 11.107 17.883 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 2.368 10.726 18.689 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 2.514 12.041 17.954 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -6.673 8.679 17.730 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -6.450 8.261 18.562 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -7.275 8.066 17.308 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 0.344 8.196 19.943 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 0.048 8.030 19.048 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 1.275 7.976 19.933 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 4.964 13.569 17.833 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 4.063 13.752 17.565 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 4.998 13.828 18.754 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 8.991 14.600 6.665 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 8.618 13.774 6.975 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 9.268 14.417 5.768 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -5.551 8.598 4.407 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -4.935 9.225 4.786 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -6.413 8.914 4.678 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 6.839 16.199 17.881 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 6.237 15.644 17.386 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 7.120 16.866 17.255 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 2.216 5.539 17.295 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 2.335 6.113 18.052 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 2.871 4.851 17.410 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 2.564 1.634 9.048 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 2.217 2.252 9.693 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 3.222 2.135 8.567 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 7.022 7.197 12.226 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 6.225 6.782 11.897 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 7.467 6.506 12.717 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -5.204 5.789 3.912 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -5.249 6.728 4.091 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -6.092 5.553 3.642 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 8.109 16.453 13.848 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 7.953 17.131 13.191 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 9.041 16.525 14.051 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -6.177 17.124 20.076 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -5.637 16.907 20.835 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -6.658 16.318 19.886 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -1.580 16.043 21.696 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -0.812 15.584 22.037 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -1.601 15.817 20.766 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 2.512 15.551 3.071 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 1.868 14.920 3.393 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 3.274 15.020 2.839 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 4.997 14.423 20.425 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 4.646 13.567 20.668 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 5.723 14.566 21.032 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 7.116 15.368 3.305 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 7.399 14.574 3.758 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 7.856 15.601 2.744 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -6.270 10.934 21.030 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -6.126 10.032 20.744 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -7.043 11.220 20.542 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 0.385 10.904 20.463 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 0.057 11.175 19.605 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 0.537 9.963 20.375 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 6.120 10.820 17.846 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 6.865 11.408 17.726 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 5.363 11.402 17.909 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -1.491 7.143 17.824 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -2.109 7.818 18.105 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -1.147 7.464 16.991 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 3.529 9.614 21.102 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 4.482 9.698 21.074 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 3.369 8.903 21.721 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 9.681 9.848 3.176 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 9.408 9.423 2.363 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 9.721 10.779 2.959 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 0.843 8.307 16.639 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 1.594 8.151 16.066 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 0.504 9.159 16.363 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 6.575 8.911 19.745 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 6.294 9.620 19.167 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 7.518 8.838 19.594 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 0.189 18.184 4.732 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 1.122 18.342 4.876 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -0.075 18.859 4.107 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -6.243 12.820 4.215 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -5.329 12.899 4.488 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -6.236 12.133 3.548 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 10.140 10.717 7.151 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 10.990 11.138 7.279 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 10.145 9.977 7.759 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 10.534 8.770 8.975 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 9.808 8.291 9.373 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 11.115 8.976 9.707 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 10.293 11.555 13.923 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 11.127 11.177 13.642 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 10.405 12.498 13.804 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 8.780 14.433 16.230 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 8.132 14.758 16.855 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 8.262 13.993 15.555 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 10.802 8.671 5.366 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 10.281 9.028 4.647 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 10.769 9.346 6.044 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 8.321 7.291 9.538 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 8.171 6.346 9.518 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 7.967 7.572 10.382 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -6.644 9.369 13.548 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -6.460 9.287 12.613 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -5.795 9.245 13.972 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 8.643 5.455 13.436 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 9.576 5.667 13.402 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 8.408 5.557 14.359 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 8.672 6.192 16.212 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 7.829 6.460 16.578 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 9.115 7.014 16.001 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 7.563 17.193 9.649 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 8.216 16.846 9.041 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 8.074 17.682 10.295 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -5.052 14.122 20.192 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -5.873 14.297 19.732 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -5.304 14.049 21.113 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 2.213 16.496 19.410 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 2.398 16.162 20.288 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 3.060 16.805 19.088 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 4.558 17.781 18.654 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 5.235 17.149 18.414 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 4.880 18.183 19.462 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 2.482 17.841 14.704 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 2.025 18.370 14.050 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 2.645 18.444 15.429 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 4.809 16.719 15.649 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 3.905 16.884 15.383 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 5.238 17.572 15.583 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 2.906 1.820 12.057 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 2.231 1.191 12.312 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 3.470 1.336 11.454 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 8.048 -0.073 12.169 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 8.652 0.475 11.668 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 7.179 0.247 11.929 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -5.931 0.252 5.682 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -5.492 0.863 5.091 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -6.565 0.790 6.156 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -0.188 0.381 9.692 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 0.686 0.769 9.662 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -0.324 0.166 10.615 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 5.369 0.411 11.341 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 5.445 0.506 10.392 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 5.093 -0.497 11.470 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -6.030 16.200 6.580 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -6.715 16.162 5.912 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -6.027 17.113 6.868 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -4.070 2.168 4.125 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -3.579 1.538 3.597 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -3.447 2.464 4.788 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 0.956 2.461 6.582 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 1.134 1.815 7.265 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 0.902 3.295 7.049 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 2.834 17.410 4.977 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 3.700 17.776 4.799 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 2.587 16.970 4.164 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -4.212 17.120 3.605 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -4.480 17.407 4.478 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -3.441 16.574 3.757 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 0.474 13.688 21.789 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 0.713 12.940 21.241 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 0.205 13.300 22.621 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 2.512 15.551 21.927 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 1.868 14.920 22.249 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 3.274 15.020 21.695 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -1.929 11.278 22.018 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -1.865 10.484 22.549 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -1.276 11.159 21.329 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 3.423 12.325 21.754 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 3.155 12.505 22.655 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 3.217 11.399 21.623 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -4.212 17.120 22.461 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -4.480 17.407 23.334 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -3.441 16.574 22.613 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -4.006 29.771 -17.903 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -3.273 30.025 -17.342 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -4.786 29.975 -17.388 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -6.673 27.535 -19.982 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -6.450 27.117 -19.150 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -7.275 26.922 -20.404 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -6.177 35.980 -17.636 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -5.637 35.763 -16.877 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -6.658 35.174 -17.826 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -6.270 29.790 -16.682 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -6.126 28.888 -16.968 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -7.043 30.076 -17.170 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -5.438 26.990 -17.262 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -5.030 26.133 -17.383 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -5.698 27.005 -16.341 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -2.673 24.552 -16.894 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -3.440 24.020 -17.104 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -1.994 24.242 -17.493 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -4.492 22.473 -17.189 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -4.281 21.766 -17.800 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -4.604 22.035 -16.345 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -7.046 23.496 -18.023 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -6.127 23.374 -17.787 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -7.496 22.746 -17.634 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -5.052 32.978 -17.520 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -5.873 33.153 -17.980 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -5.304 32.905 -16.599 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -4.810 19.824 -18.316 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -5.176 19.059 -17.873 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -3.897 19.853 -18.029 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -2.837 19.175 -16.780 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -1.938 18.901 -16.965 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -3.223 18.432 -16.316 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -3.464 31.786 -5.472 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -3.834 30.984 -5.841 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -2.523 31.617 -5.425 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -0.295 26.596 -7.616 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 0.321 26.070 -7.107 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -0.881 25.956 -8.020 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -3.261 21.567 -3.520 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -3.480 22.097 -4.286 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -3.929 21.794 -2.872 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -0.692 29.243 -3.232 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -1.432 29.841 -3.129 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 0.022 29.797 -3.548 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -2.284 31.207 -2.445 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -2.290 32.086 -2.823 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -3.138 31.124 -2.020 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 0.765 18.873 -6.067 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 0.648 17.924 -6.121 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -0.090 19.205 -5.794 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -1.917 28.550 -8.732 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -2.247 28.180 -9.551 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -1.329 27.880 -8.386 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -1.550 27.319 -5.099 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -0.985 27.440 -5.862 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -1.231 27.956 -4.460 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -3.750 27.916 -1.153 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -3.680 28.567 -0.455 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -4.641 28.019 -1.488 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -2.431 33.790 0.382 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -2.423 33.654 -0.566 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -3.347 33.672 0.634 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -2.927 27.620 -11.143 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -3.219 28.388 -11.634 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -3.601 26.960 -11.306 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -3.839 35.564 -9.299 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -3.687 35.216 -8.420 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -4.690 35.208 -9.554 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -4.585 31.306 -1.285 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -4.368 30.945 -0.425 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -5.440 30.932 -1.495 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -1.966 19.776 -5.289 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -2.827 19.689 -5.697 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -1.988 20.632 -4.862 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 0.704 22.390 -8.196 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -0.207 22.447 -7.907 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 1.209 22.330 -7.385 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -0.815 24.019 -11.713 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 0.117 24.148 -11.535 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -1.030 24.689 -12.362 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -2.141 25.214 -14.146 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -2.683 24.834 -14.837 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -1.307 25.408 -14.575 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -4.006 29.771 0.953 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -3.273 30.025 1.514 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -4.786 29.975 1.468 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 2.024 25.178 -6.309 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 2.588 24.631 -6.856 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 1.876 24.656 -5.520 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 0.650 23.566 -3.895 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -0.185 24.020 -3.785 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 1.174 23.842 -3.143 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -3.681 29.074 -6.441 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -2.936 29.072 -7.042 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -3.603 28.250 -5.959 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 0.344 27.052 1.087 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 0.048 26.886 0.192 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 1.275 26.832 1.077 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -1.306 32.592 -9.036 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -0.779 33.365 -9.237 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -2.186 32.817 -9.338 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -5.551 27.454 -14.449 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -4.935 28.081 -14.070 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -6.413 27.770 -14.178 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 0.121 30.255 -9.460 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -0.120 31.180 -9.418 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -0.619 29.796 -9.064 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -5.388 34.093 -3.133 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -5.171 33.161 -3.164 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -5.141 34.367 -2.249 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -4.136 29.367 -12.957 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -4.822 29.719 -12.390 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -3.613 30.130 -13.203 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 1.680 23.409 -10.746 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 2.492 23.913 -10.700 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 1.435 23.264 -9.832 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 2.564 20.490 -9.808 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 2.217 21.108 -9.163 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 3.222 20.991 -10.289 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -1.779 21.553 -13.120 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -1.862 22.442 -12.774 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -0.889 21.288 -12.889 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -3.520 31.981 -14.060 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -2.928 32.680 -13.784 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -3.061 31.548 -14.779 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -5.204 24.645 -14.944 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -5.249 25.584 -14.765 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -6.092 24.409 -15.214 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -5.466 33.367 -10.110 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -6.298 33.840 -10.083 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -4.920 33.877 -10.709 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -6.177 35.980 1.220 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -5.637 35.763 1.979 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -6.658 35.174 1.030 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -0.780 28.106 -13.388 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -1.239 27.622 -12.702 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -0.525 27.438 -14.024 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -1.491 25.999 -1.032 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -2.109 26.674 -0.751 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -1.147 26.320 -1.865 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -1.151 23.354 0.051 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -1.001 22.625 -0.552 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -1.149 24.131 -0.508 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -0.739 21.724 -2.457 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -0.203 22.175 -3.109 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -1.591 21.616 -2.879 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 0.843 27.163 -2.217 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 1.594 27.007 -2.790 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 0.504 28.015 -2.493 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -2.673 24.552 1.962 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -3.440 24.020 1.752 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -1.994 24.242 1.363 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 0.067 19.180 -2.025 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -0.031 20.127 -2.131 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -0.676 18.808 -2.501 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 0.289 18.474 0.646 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 1.001 17.834 0.632 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 0.188 18.741 -0.268 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 0.642 20.157 2.700 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 0.511 19.681 1.879 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 0.043 20.901 2.644 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -6.243 31.676 -14.641 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -5.329 31.755 -14.368 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -6.236 30.989 -15.308 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -6.724 35.150 -7.759 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -7.058 34.269 -7.587 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -6.502 35.495 -6.895 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -6.644 28.225 -5.308 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -6.460 28.143 -6.243 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -5.795 28.101 -4.884 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -5.052 32.978 1.336 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -5.873 33.153 0.876 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -5.304 32.905 2.257 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -2.098 33.953 -2.405 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -2.523 34.762 -2.688 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -1.193 34.038 -2.707 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -4.696 37.209 -2.358 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -5.416 37.649 -2.809 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -5.062 36.958 -1.509 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -2.229 36.809 -3.328 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -3.094 36.881 -2.924 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -2.284 37.356 -4.112 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -5.281 35.832 -5.447 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -5.300 35.407 -4.590 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -4.476 35.514 -5.856 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -3.140 34.542 -6.792 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -3.359 33.626 -6.623 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -2.316 34.682 -6.326 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 2.906 20.676 -6.799 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 2.231 20.047 -6.544 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 3.470 20.192 -7.402 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -4.768 19.310 -8.977 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -5.545 19.076 -9.485 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -4.237 18.513 -8.969 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -0.188 19.237 -9.164 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 0.686 19.625 -9.194 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -0.324 19.022 -8.241 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -6.030 35.056 -12.276 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -6.715 35.018 -12.944 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -6.027 35.969 -11.988 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -4.070 21.024 -14.731 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -3.579 20.394 -15.259 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -3.447 21.320 -14.068 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 0.956 21.317 -12.274 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 1.134 20.671 -11.591 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 0.902 22.151 -11.807 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.810 19.824 0.540 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -5.176 19.059 0.983 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -3.897 19.853 0.827 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -2.837 19.175 2.076 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -1.938 18.901 1.891 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -3.223 18.432 2.540 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -4.212 35.976 -15.251 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -4.480 36.263 -14.378 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -3.441 35.430 -15.099 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 3.244 27.721 13.256 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 3.206 27.075 13.961 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 2.921 27.255 12.485 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -4.388 27.336 14.849 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -4.346 26.710 15.573 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -3.685 27.959 15.031 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -6.854 25.446 8.777 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -7.302 26.292 8.759 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -7.415 24.866 8.262 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -6.144 27.608 10.903 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -5.930 26.838 11.430 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -5.406 27.697 10.300 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 4.774 24.548 13.990 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 4.917 23.601 14.010 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 4.668 24.755 13.061 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 5.651 22.780 9.663 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 6.297 22.451 10.288 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 6.161 23.298 9.040 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -5.451 25.046 12.024 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -4.797 24.496 12.456 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -5.427 24.772 11.108 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -0.295 26.596 11.240 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 0.321 26.070 11.749 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -0.881 25.956 10.836 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -0.692 29.243 15.624 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -1.432 29.841 15.727 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 0.022 29.797 15.308 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 7.415 22.071 11.644 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 7.200 21.305 12.176 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 8.071 22.543 12.157 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -6.163 30.878 7.193 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -6.435 31.107 6.304 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -6.118 31.716 7.653 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -1.550 27.319 13.757 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -0.985 27.440 12.994 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -1.231 27.956 14.396 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -3.750 27.916 17.703 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -3.680 28.567 18.401 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -4.641 28.019 17.368 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -2.927 27.620 7.713 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -3.219 28.388 7.222 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -3.601 26.960 7.550 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -6.834 29.983 16.528 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -7.335 29.955 15.713 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -6.828 29.077 16.838 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -7.083 32.763 13.412 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -6.137 32.619 13.393 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -7.196 33.547 13.949 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 2.697 19.498 16.941 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 3.117 19.083 17.694 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 1.764 19.320 17.058 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 6.023 23.254 17.795 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 5.509 23.128 18.592 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 5.868 24.166 17.550 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -1.875 24.742 14.662 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -2.517 24.701 15.371 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -1.838 25.668 14.424 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -1.878 24.963 9.574 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -2.771 24.622 9.515 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -1.427 24.586 8.818 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 3.658 25.379 8.391 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 3.249 26.194 8.099 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 4.378 25.239 7.776 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 2.760 25.554 19.879 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 2.197 24.850 20.199 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 3.586 25.434 20.346 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 4.662 24.825 11.205 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 4.467 25.430 10.490 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 4.844 23.991 10.770 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -0.759 22.436 3.327 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -1.190 21.991 4.057 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -1.477 22.808 2.815 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -6.242 22.924 5.803 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -5.768 23.515 5.218 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -6.960 23.455 6.150 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 3.926 26.463 15.876 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 4.250 25.832 15.233 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 3.486 25.928 16.537 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -4.468 24.019 9.487 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -5.357 24.119 9.147 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -4.172 23.177 9.141 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -0.815 24.019 7.143 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 0.117 24.148 7.321 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -1.030 24.689 6.494 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 5.109 21.625 13.924 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 4.432 21.756 14.588 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 4.623 21.470 13.114 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -2.141 25.214 4.710 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -2.683 24.834 4.019 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -1.307 25.408 4.281 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -4.006 29.771 19.809 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -3.273 30.025 20.370 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -4.786 29.975 20.324 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 2.024 25.178 12.547 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 2.588 24.631 12.000 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 1.876 24.656 13.336 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -6.673 27.535 17.730 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -6.450 27.117 18.562 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -7.275 26.922 17.308 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 0.344 27.052 19.943 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 0.048 26.886 19.048 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 1.275 26.832 19.933 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -5.551 27.454 4.407 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -4.935 28.081 4.786 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -6.413 27.770 4.678 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -4.136 29.367 5.899 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -4.822 29.719 6.466 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -3.613 30.130 5.653 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 3.696 22.029 16.178 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 4.394 22.103 16.828 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 3.315 21.165 16.333 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 4.480 21.681 7.275 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 4.700 22.153 6.472 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 5.038 22.076 7.946 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 1.680 23.409 8.110 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 2.492 23.913 8.156 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 1.435 23.264 9.024 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 2.216 24.395 17.295 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 2.335 24.969 18.052 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 2.871 23.707 17.410 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 2.564 20.490 9.048 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 2.217 21.108 9.693 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 3.222 20.991 8.567 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -1.779 21.553 5.736 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -1.862 22.442 6.082 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -0.889 21.288 5.967 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -3.520 31.981 4.796 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -2.928 32.680 5.072 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -3.061 31.548 4.077 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -6.270 29.790 21.030 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -6.126 28.888 20.744 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -7.043 30.076 20.542 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -1.929 30.134 3.162 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -1.865 29.340 3.693 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -1.276 30.015 2.473 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -5.438 26.990 20.450 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -5.030 26.133 20.329 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -5.698 27.005 21.371 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -1.491 25.999 17.824 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -2.109 26.674 18.105 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -1.147 26.320 16.991 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 0.291 26.349 3.731 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 0.111 26.195 2.803 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 1.242 26.457 3.775 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 0.843 27.163 16.639 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 1.594 27.007 16.066 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 0.504 28.015 16.363 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 1.331 23.502 20.394 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 1.095 23.282 21.296 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 0.548 23.295 19.885 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 4.047 22.629 19.470 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 3.099 22.661 19.602 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 4.359 22.004 20.124 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 0.289 18.474 19.502 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 1.001 17.834 19.488 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 0.188 18.741 18.588 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 0.642 20.157 21.556 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 0.511 19.681 20.735 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 0.043 20.901 21.500 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -6.243 31.676 4.215 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -5.329 31.755 4.488 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -6.236 30.989 3.548 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -6.644 28.225 13.548 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -6.460 28.143 12.613 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -5.795 28.101 13.972 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -7.208 21.065 7.704 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -8.133 21.274 7.574 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -6.754 21.549 7.014 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -5.931 19.108 5.682 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -5.492 19.719 5.091 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -6.565 19.646 6.156 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 5.369 19.267 11.341 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 5.445 19.362 10.392 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 5.093 18.359 11.470 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -6.030 35.056 6.580 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -6.715 35.018 5.912 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -6.027 35.969 6.868 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -4.070 21.024 4.125 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -3.579 20.394 3.597 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -3.447 21.320 4.788 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 0.956 21.317 6.582 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 1.134 20.671 7.265 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 0.902 22.151 7.049 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -2.837 19.175 20.932 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -1.938 18.901 20.747 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -3.223 18.432 21.396 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -4.212 35.976 3.605 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -4.480 36.263 4.478 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -3.441 35.430 3.757 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -0.759 22.436 22.183 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -1.190 21.991 22.913 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -1.477 22.808 21.671 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -6.242 22.924 24.659 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -5.768 23.515 24.074 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -6.960 23.455 25.006 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -2.141 25.214 23.566 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -2.683 24.834 22.875 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -1.307 25.408 23.137 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -5.551 27.454 23.263 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -4.935 28.081 23.642 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -6.413 27.770 23.534 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -1.779 21.553 24.592 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -1.862 22.442 24.938 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -0.889 21.288 24.823 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -5.204 24.645 22.768 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -5.249 25.584 22.947 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -6.092 24.409 22.498 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 0.291 26.349 22.587 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 0.111 26.195 21.659 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 1.242 26.457 22.631 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -5.931 19.108 24.538 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -5.492 19.719 23.947 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -6.565 19.646 25.012 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -4.070 21.024 22.981 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -3.579 20.394 22.453 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -3.447 21.320 23.644 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -4.492 41.329 -17.189 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -4.281 40.622 -17.800 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -4.604 40.891 -16.345 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -7.046 42.352 -18.023 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -6.127 42.230 -17.787 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -7.496 41.602 -17.634 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -7.244 38.659 -21.664 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -7.909 38.413 -21.021 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -7.687 39.281 -22.241 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -4.810 38.680 -18.316 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -5.176 37.915 -17.873 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -3.897 38.709 -18.029 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -4.388 46.192 -4.007 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -4.346 45.566 -3.283 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -3.685 46.815 -3.825 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -6.144 46.464 -7.953 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -5.930 45.694 -7.426 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -5.406 46.553 -8.556 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -2.071 41.505 -7.594 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -2.028 42.365 -8.012 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -2.529 40.953 -8.227 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -5.451 43.902 -6.832 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -4.797 43.352 -6.400 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -5.427 43.628 -7.748 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -3.261 40.423 -3.520 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -3.480 40.953 -4.286 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -3.929 40.650 -2.872 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -3.667 42.315 -5.567 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -3.054 42.948 -5.194 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -3.155 41.843 -6.224 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -1.966 38.632 -5.289 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -2.827 38.545 -5.697 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -1.988 39.488 -4.862 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -1.875 43.598 -4.194 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -2.517 43.557 -3.485 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -1.838 44.524 -4.432 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -1.878 43.819 -9.282 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -2.771 43.478 -9.341 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -1.427 43.442 -10.038 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -4.125 43.918 -2.327 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -4.163 44.318 -1.459 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -4.616 43.101 -2.237 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -6.242 41.780 -13.053 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -5.768 42.371 -13.638 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -6.960 42.311 -12.706 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -4.468 42.875 -9.369 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -5.357 42.975 -9.709 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -4.172 42.033 -9.715 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -2.974 40.170 -9.891 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -3.291 39.268 -9.926 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -2.193 40.172 -10.443 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -5.551 46.310 -14.449 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -4.935 46.937 -14.070 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -6.413 46.626 -14.178 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -5.039 41.144 -1.568 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -5.932 41.483 -1.635 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -5.138 40.289 -1.150 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -5.204 43.501 -14.944 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -5.249 44.440 -14.765 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -6.092 43.265 -15.214 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -4.396 38.283 -6.271 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -4.625 38.342 -7.198 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -4.839 37.491 -5.964 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -6.644 47.081 -5.308 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -6.460 46.999 -6.243 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -5.795 46.957 -4.884 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -7.244 38.659 -2.808 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -7.909 38.413 -2.165 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -7.687 39.281 -3.385 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -5.931 37.964 -13.174 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -5.492 38.575 -13.765 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -6.565 38.502 -12.700 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -4.070 39.880 -14.731 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -3.579 39.250 -15.259 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -3.447 40.176 -14.068 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 16.572 -6.505 -2.445 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 16.566 -5.626 -2.823 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 15.718 -6.588 -2.020 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 18.186 -5.994 -0.382 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 17.874 -5.212 0.074 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 17.536 -6.147 -1.068 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 15.106 -9.796 -1.153 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 15.176 -9.145 -0.455 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 14.215 -9.693 -1.488 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 16.425 -3.922 0.382 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 16.433 -4.058 -0.566 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 15.509 -4.040 0.634 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 12.022 -7.729 -2.328 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 11.521 -7.757 -3.143 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 12.028 -8.635 -2.018 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 14.271 -6.406 -1.285 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 14.488 -6.767 -0.425 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 13.416 -6.780 -1.495 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 12.183 -10.177 -1.126 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 12.406 -10.595 -0.294 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 11.581 -10.790 -1.548 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 19.200 -10.660 1.087 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 18.904 -10.826 0.192 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 20.131 -10.880 1.077 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 13.468 -3.619 -3.133 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 13.685 -4.551 -3.164 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 13.715 -3.345 -2.249 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 17.276 -2.813 2.840 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 18.044 -3.272 3.181 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 17.255 -3.039 1.910 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 19.241 -7.952 1.607 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 18.913 -7.681 0.749 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 19.393 -8.893 1.519 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 13.418 -10.722 1.594 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 13.826 -11.579 1.473 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 13.158 -10.707 2.515 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 22.385 -9.242 2.246 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 23.338 -9.158 2.218 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 22.225 -9.953 2.865 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 16.183 -13.160 1.962 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 15.416 -13.692 1.752 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 16.862 -13.470 1.363 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 16.758 -3.759 -2.405 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 16.333 -2.950 -2.688 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 17.663 -3.674 -2.707 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 14.160 -0.503 -2.358 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 13.440 -0.063 -2.809 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 13.794 -0.754 -1.509 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 23.167 -9.246 9.837 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 23.256 -8.302 9.705 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 22.528 -9.521 9.179 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 15.392 -5.926 13.384 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 15.022 -6.728 13.015 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 16.333 -6.095 13.431 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 12.002 -12.266 8.777 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 11.554 -11.420 8.759 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 11.441 -12.846 8.262 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 12.712 -10.104 10.903 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 12.926 -10.874 11.430 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 13.450 -10.015 10.300 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 13.405 -12.666 12.024 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 14.059 -13.216 12.456 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 13.429 -12.940 11.108 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 18.561 -11.116 11.240 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 19.177 -11.642 11.749 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 17.975 -11.756 10.836 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 22.964 -6.645 8.880 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 22.668 -6.967 8.029 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 22.640 -5.745 8.922 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 21.888 -10.002 7.289 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 21.176 -9.467 6.938 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 22.579 -9.946 6.629 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 21.942 -11.544 4.328 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 22.643 -11.522 4.979 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 22.244 -12.172 3.672 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 16.939 -9.162 10.124 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 16.609 -9.532 9.305 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 17.527 -9.832 10.470 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 18.306 -5.734 12.805 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 18.211 -6.312 12.048 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 19.035 -6.105 13.301 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 24.165 -10.630 5.926 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 24.744 -10.480 6.673 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 24.579 -10.159 5.203 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 21.891 -3.893 9.361 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 22.365 -3.598 10.139 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 21.328 -3.155 9.128 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 11.773 -4.949 13.412 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 12.719 -5.093 13.393 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 11.660 -4.165 13.949 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 15.017 -2.148 9.557 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 15.169 -2.496 10.436 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 14.166 -2.504 9.302 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 16.978 -12.749 9.574 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 16.085 -13.090 9.515 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 17.429 -13.126 8.818 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 22.514 -12.333 8.391 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 22.105 -11.518 8.099 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 23.234 -12.473 7.776 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 18.097 -15.276 3.327 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 17.666 -15.721 4.057 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 17.379 -14.904 2.815 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 12.614 -14.788 5.803 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 13.088 -14.197 5.218 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 11.896 -14.257 6.150 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 14.388 -13.693 9.487 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 13.499 -13.593 9.147 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 14.684 -14.535 9.141 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 18.041 -13.693 7.143 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 18.973 -13.564 7.321 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 17.826 -13.023 6.494 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 16.715 -12.498 4.710 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 16.173 -12.878 4.019 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 17.549 -12.304 4.281 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 15.175 -8.638 12.415 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 15.920 -8.640 11.814 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 15.253 -9.462 12.897 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 22.176 -6.474 5.671 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 21.881 -5.648 6.053 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 21.473 -7.094 5.867 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 17.550 -5.120 9.820 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 18.077 -4.347 9.619 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 16.670 -4.895 9.518 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 17.661 -2.435 8.941 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 16.711 -2.330 8.993 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 18.012 -1.615 9.286 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 19.330 -5.168 2.933 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 19.569 -5.916 2.385 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 19.061 -5.556 3.765 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 21.005 -3.900 6.138 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 20.188 -3.403 6.191 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 21.534 -3.425 5.498 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 20.536 -14.303 8.110 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 21.348 -13.799 8.156 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 20.291 -14.448 9.024 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 18.343 -2.857 6.120 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 18.504 -2.057 5.619 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 18.146 -2.550 7.005 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 13.652 -13.067 3.912 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 13.607 -12.128 4.091 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 12.764 -13.303 3.642 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 21.368 -3.305 3.071 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 20.724 -3.936 3.393 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 22.130 -3.836 2.839 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 22.279 -6.531 2.898 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 22.011 -6.351 3.799 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 22.073 -7.457 2.767 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 19.147 -11.363 3.731 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 18.967 -11.517 2.803 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 20.098 -11.255 3.775 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 19.045 -0.672 4.732 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 19.978 -0.514 4.876 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 18.781 0.003 4.107 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 12.132 -2.562 11.097 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 11.798 -3.443 11.269 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 12.354 -2.217 11.961 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 13.575 -1.880 13.409 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 13.556 -2.305 14.266 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 14.380 -2.198 13.000 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 15.716 -3.170 12.064 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 15.497 -4.086 12.233 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 16.540 -3.030 12.530 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 12.586 10.934 2.174 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 12.730 10.032 1.888 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 11.813 11.220 1.686 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 13.418 8.134 1.594 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 13.826 7.277 1.473 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 13.158 8.149 2.515 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 14.364 3.617 1.667 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 14.575 2.910 1.056 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 14.252 3.179 2.511 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 19.145 -0.382 0.646 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 19.857 -1.022 0.632 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 19.044 -0.115 -0.268 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 11.810 4.640 0.833 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 12.729 4.518 1.069 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 11.360 3.890 1.222 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 11.612 0.947 -2.808 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 10.947 0.701 -2.165 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 11.169 1.569 -3.385 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 14.046 0.968 0.540 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 13.680 0.203 0.983 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 14.959 0.997 0.827 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 16.019 0.319 2.076 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 16.918 0.045 1.891 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 15.633 -0.424 2.540 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 12.712 8.752 10.903 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 12.926 7.982 11.430 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 13.450 8.841 10.300 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 16.785 3.793 11.262 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 16.828 4.653 10.844 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 16.327 3.241 10.629 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 13.405 6.190 12.024 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 14.059 5.640 12.456 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 13.429 5.916 11.108 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 15.595 2.711 15.336 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 15.376 3.241 14.570 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 14.927 2.938 15.984 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 15.189 4.603 13.289 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 15.802 5.236 13.662 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 15.701 4.131 12.632 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 12.693 12.022 7.193 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 12.421 12.251 6.304 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 12.738 12.860 7.653 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 15.929 8.764 7.713 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 15.637 9.532 7.222 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 15.255 8.104 7.550 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 11.773 13.907 13.412 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 12.719 13.763 13.393 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 11.660 14.691 13.949 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 16.890 0.920 13.567 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 16.029 0.833 13.159 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 16.868 1.776 13.994 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 16.978 6.107 9.574 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 16.085 5.766 9.515 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 17.429 5.730 8.818 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 18.041 5.163 7.143 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 18.973 5.292 7.321 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 17.826 5.833 6.494 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 16.715 6.358 4.710 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 16.173 5.978 4.019 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 17.549 6.552 4.281 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 15.882 2.458 8.965 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 15.565 1.556 8.930 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 16.663 2.460 8.413 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 13.305 8.598 4.407 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 13.921 9.225 4.786 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 12.443 8.914 4.678 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 17.077 2.697 5.736 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 16.994 3.586 6.082 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 17.967 2.432 5.967 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 13.652 5.789 3.912 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 13.607 6.728 4.091 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 12.764 5.553 3.642 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 14.460 0.571 12.585 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 14.231 0.630 11.658 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 14.017 -0.221 12.892 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 12.613 12.820 4.215 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 13.527 12.899 4.488 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 12.620 12.133 3.548 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 12.212 9.369 13.548 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 12.396 9.287 12.613 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 13.061 9.245 13.972 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 13.031 2.952 12.580 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 13.476 2.160 12.882 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 13.497 3.668 13.011 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 11.335 5.951 13.649 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 11.827 5.730 12.859 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 11.697 6.792 13.930 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 11.612 0.947 16.048 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 10.947 0.701 16.691 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 11.169 1.569 15.471 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 18.668 0.381 9.692 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 19.542 0.769 9.662 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 18.532 0.166 10.615 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 14.786 2.168 4.125 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 15.277 1.538 3.597 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 15.409 2.464 4.788 0.00 0.00 WAT1 END