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 13:35:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 9.553 -6.880 28.473 1.00 13.32 ATOM 2 CB MET 1 10.713 -7.041 30.264 1.00 52.24 ATOM 3 HB1 MET 1 11.643 -7.192 29.732 1.00 37.00 ATOM 4 HB2 MET 1 10.283 -8.005 30.500 1.00 24.32 ATOM 5 CG MET 1 11.012 -6.317 31.567 1.00 60.34 ATOM 6 HG1 MET 1 10.113 -6.282 32.164 1.00 37.00 ATOM 7 HG2 MET 1 11.338 -5.312 31.349 1.00 63.15 ATOM 8 SD MET 1 12.302 -7.128 32.531 1.00 43.24 ATOM 9 CE MET 1 12.456 -5.996 33.910 1.00 41.51 ATOM 10 HE1 MET 1 12.739 -5.020 33.545 1.00 11.42 ATOM 11 HE2 MET 1 13.212 -6.359 34.591 1.00 72.44 ATOM 12 HE3 MET 1 11.510 -5.927 34.426 1.00 0.43 ATOM 13 C MET 1 8.437 -6.019 30.072 1.00 5.41 ATOM 14 O MET 1 8.137 -4.886 30.447 1.00 24.13 ATOM 15 N MET 1 10.361 -5.027 28.907 1.00 30.53 ATOM 16 HT1 MET 1 10.486 -4.367 29.703 1.00 37.00 ATOM 17 HT2 MET 1 9.754 -4.570 28.194 1.00 37.00 ATOM 18 HT3 MET 1 11.292 -5.206 28.473 1.00 37.00 ATOM 19 CA MET 1 9.754 -6.278 29.347 1.00 61.50 ATOM 20 N GLY 2 7.655 -7.076 30.266 1.00 54.12 ATOM 21 HN GLY 2 7.938 -7.963 29.949 1.00 37.00 ATOM 22 CA GLY 2 6.379 -6.940 30.945 1.00 63.21 ATOM 23 HA1 GLY 2 6.440 -6.166 31.701 1.00 37.00 ATOM 24 HA2 GLY 2 6.151 -7.876 31.433 1.00 5.34 ATOM 25 C GLY 2 5.248 -6.608 29.993 1.00 51.44 ATOM 26 O GLY 2 4.365 -5.814 30.319 1.00 13.11 ATOM 27 N HIS 3 5.274 -7.214 28.810 1.00 31.41 ATOM 28 HN HIS 3 6.003 -7.841 28.595 1.00 37.00 ATOM 29 CA HIS 3 4.243 -6.977 27.806 1.00 34.43 ATOM 30 HA HIS 3 3.386 -6.510 28.281 1.00 63.21 ATOM 31 CB HIS 3 4.766 -6.039 26.719 1.00 50.14 ATOM 32 HB1 HIS 3 3.991 -5.883 25.979 1.00 37.00 ATOM 33 HB2 HIS 3 5.624 -6.491 26.242 1.00 44.34 ATOM 34 CG HIS 3 5.179 -4.695 27.235 1.00 25.20 ATOM 35 ND1 HIS 3 4.277 -3.727 27.622 1.00 72.14 ATOM 36 HD1 HIS 3 3.301 -3.813 27.600 1.00 42.44 ATOM 37 CD2 HIS 3 6.408 -4.161 27.429 1.00 31.12 ATOM 38 HD2 HIS 3 7.355 -4.644 27.232 1.00 74.51 ATOM 39 CE1 HIS 3 4.932 -2.655 28.030 1.00 61.13 ATOM 40 HE1 HIS 3 4.485 -1.740 28.391 1.00 71.15 ATOM 41 NE2 HIS 3 6.227 -2.893 27.923 1.00 0.34 ATOM 42 HE2 HIS 3 6.937 -2.234 28.073 1.00 37.00 ATOM 43 C HIS 3 3.780 -8.290 27.182 1.00 32.52 ATOM 44 O HIS 3 4.549 -9.247 27.081 1.00 42.31 ATOM 45 N HIS 4 2.518 -8.330 26.766 1.00 20.11 ATOM 46 HN HIS 4 1.944 -7.538 26.879 1.00 37.00 ATOM 47 CA HIS 4 1.953 -9.526 26.152 1.00 33.30 ATOM 48 HA HIS 4 2.661 -10.342 26.235 1.00 1.30 ATOM 49 CB HIS 4 0.666 -9.935 26.870 1.00 2.53 ATOM 50 HB1 HIS 4 -0.046 -9.123 26.814 1.00 37.00 ATOM 51 HB2 HIS 4 0.891 -10.136 27.907 1.00 32.33 ATOM 52 CG HIS 4 0.022 -11.159 26.296 1.00 2.20 ATOM 53 ND1 HIS 4 -1.300 -11.201 25.906 1.00 23.21 ATOM 54 HD1 HIS 4 -1.938 -10.459 25.962 1.00 12.41 ATOM 55 CD2 HIS 4 0.527 -12.389 26.045 1.00 73.41 ATOM 56 HD2 HIS 4 1.541 -12.715 26.228 1.00 74.11 ATOM 57 CE1 HIS 4 -1.581 -12.406 25.442 1.00 40.55 ATOM 58 HE1 HIS 4 -2.540 -12.730 25.066 1.00 65.35 ATOM 59 NE2 HIS 4 -0.489 -13.146 25.514 1.00 14.44 ATOM 60 HE2 HIS 4 -0.444 -14.107 25.326 1.00 37.00 ATOM 61 C HIS 4 1.671 -9.295 24.671 1.00 72.15 ATOM 62 O HIS 4 1.943 -10.157 23.834 1.00 33.33 ATOM 63 N HIS 5 1.124 -8.126 24.353 1.00 74.25 ATOM 64 HN HIS 5 0.892 -7.483 25.061 1.00 37.00 ATOM 65 CA HIS 5 0.805 -7.782 22.971 1.00 14.25 ATOM 66 HA HIS 5 1.447 -8.367 22.317 1.00 51.23 ATOM 67 CB HIS 5 -0.656 -8.116 22.665 1.00 44.34 ATOM 68 HB1 HIS 5 -1.299 -7.311 23.001 1.00 37.00 ATOM 69 HB2 HIS 5 -0.927 -9.021 23.192 1.00 65.24 ATOM 70 CG HIS 5 -0.923 -8.354 21.210 1.00 25.54 ATOM 71 ND1 HIS 5 -0.280 -9.330 20.477 1.00 3.44 ATOM 72 HD1 HIS 5 0.398 -9.950 20.819 1.00 73.21 ATOM 73 CD2 HIS 5 -1.770 -7.739 20.353 1.00 11.11 ATOM 74 HD2 HIS 5 -2.437 -6.922 20.588 1.00 74.12 ATOM 75 CE1 HIS 5 -0.719 -9.302 19.232 1.00 70.42 ATOM 76 HE1 HIS 5 -0.394 -9.952 18.433 1.00 32.44 ATOM 77 NE2 HIS 5 -1.625 -8.346 19.130 1.00 24.32 ATOM 78 HE2 HIS 5 -2.182 -8.177 18.341 1.00 37.00 ATOM 79 C HIS 5 1.067 -6.303 22.706 1.00 41.51 ATOM 80 O HIS 5 0.666 -5.440 23.488 1.00 74.02 ATOM 81 N HIS 6 1.744 -6.016 21.598 1.00 22.14 ATOM 82 HN HIS 6 2.037 -6.742 21.000 1.00 37.00 ATOM 83 CA HIS 6 2.061 -4.641 21.230 1.00 55.31 ATOM 84 HA HIS 6 1.734 -3.983 22.030 1.00 2.34 ATOM 85 CB HIS 6 3.570 -4.472 21.055 1.00 0.54 ATOM 86 HB1 HIS 6 3.885 -4.931 20.126 1.00 37.00 ATOM 87 HB2 HIS 6 4.073 -4.964 21.876 1.00 11.32 ATOM 88 CG HIS 6 4.016 -3.042 21.048 1.00 13.43 ATOM 89 ND1 HIS 6 3.725 -2.158 22.066 1.00 52.31 ATOM 90 HD1 HIS 6 3.212 -2.365 22.875 1.00 62.40 ATOM 91 CD2 HIS 6 4.737 -2.344 20.140 1.00 13.51 ATOM 92 HD2 HIS 6 5.137 -2.724 19.210 1.00 65.32 ATOM 93 CE1 HIS 6 4.246 -0.977 21.783 1.00 21.21 ATOM 94 HE1 HIS 6 4.178 -0.092 22.399 1.00 62.32 ATOM 95 NE2 HIS 6 4.866 -1.063 20.620 1.00 60.41 ATOM 96 HE2 HIS 6 5.418 -0.359 20.221 1.00 37.00 ATOM 97 C HIS 6 1.340 -4.243 19.945 1.00 22.01 ATOM 98 O HIS 6 1.419 -4.943 18.935 1.00 33.20 ATOM 99 N HIS 7 0.638 -3.115 19.991 1.00 71.33 ATOM 100 HN HIS 7 0.623 -2.587 20.825 1.00 37.00 ATOM 101 CA HIS 7 -0.097 -2.625 18.830 1.00 2.31 ATOM 102 HA HIS 7 -0.569 -3.468 18.339 1.00 71.53 ATOM 103 CB HIS 7 -1.187 -1.645 19.267 1.00 64.34 ATOM 104 HB1 HIS 7 -1.769 -1.352 18.404 1.00 37.00 ATOM 105 HB2 HIS 7 -0.727 -0.768 19.701 1.00 51.31 ATOM 106 CG HIS 7 -2.129 -2.212 20.283 1.00 33.20 ATOM 107 ND1 HIS 7 -2.900 -1.428 21.115 1.00 2.31 ATOM 108 HD1 HIS 7 -2.912 -0.448 21.129 1.00 74.30 ATOM 109 CD2 HIS 7 -2.425 -3.495 20.598 1.00 61.11 ATOM 110 HD2 HIS 7 -2.005 -4.380 20.141 1.00 2.13 ATOM 111 CE1 HIS 7 -3.627 -2.203 21.899 1.00 71.41 ATOM 112 HE1 HIS 7 -4.324 -1.865 22.651 1.00 62.33 ATOM 113 NE2 HIS 7 -3.358 -3.463 21.605 1.00 41.41 ATOM 114 HE2 HIS 7 -3.831 -4.241 21.967 1.00 37.00 ATOM 115 C HIS 7 0.844 -1.948 17.838 1.00 61.02 ATOM 116 O HIS 7 2.018 -1.723 18.134 1.00 0.01 ATOM 117 N HIS 8 0.321 -1.627 16.659 1.00 43.53 ATOM 118 HN HIS 8 -0.623 -1.833 16.470 1.00 37.00 ATOM 119 CA HIS 8 1.115 -0.976 15.622 1.00 10.44 ATOM 120 HA HIS 8 2.107 -0.769 16.014 1.00 61.34 ATOM 121 CB HIS 8 1.256 -1.892 14.407 1.00 73.41 ATOM 122 HB1 HIS 8 1.540 -1.307 13.540 1.00 37.00 ATOM 123 HB2 HIS 8 0.308 -2.371 14.210 1.00 64.12 ATOM 124 CG HIS 8 2.290 -2.962 14.580 1.00 74.01 ATOM 125 ND1 HIS 8 3.643 -2.701 14.620 1.00 60.12 ATOM 126 HD1 HIS 8 4.058 -1.817 14.541 1.00 30.41 ATOM 127 CD2 HIS 8 2.162 -4.302 14.726 1.00 53.43 ATOM 128 HD2 HIS 8 1.236 -4.859 14.743 1.00 21.01 ATOM 129 CE1 HIS 8 4.303 -3.834 14.781 1.00 60.12 ATOM 130 HE1 HIS 8 5.376 -3.936 14.848 1.00 73.24 ATOM 131 NE2 HIS 8 3.427 -4.821 14.848 1.00 2.55 ATOM 132 HE2 HIS 8 3.651 -5.775 14.869 1.00 37.00 ATOM 133 C HIS 8 0.482 0.349 15.205 1.00 25.31 ATOM 134 O HIS 8 -0.677 0.392 14.794 1.00 31.33 ATOM 135 N SER 9 1.252 1.427 15.314 1.00 20.12 ATOM 136 HN SER 9 2.178 1.339 15.638 1.00 37.00 ATOM 137 CA SER 9 0.765 2.753 14.953 1.00 44.14 ATOM 138 HA SER 9 -0.289 2.694 14.708 1.00 63.14 ATOM 139 CB SER 9 0.929 3.718 16.129 1.00 74.41 ATOM 140 HB1 SER 9 0.426 3.313 16.995 1.00 37.00 ATOM 141 HB2 SER 9 0.492 4.674 15.876 1.00 5.15 ATOM 142 OG SER 9 2.297 3.911 16.444 1.00 54.02 ATOM 143 HG SER 9 2.615 3.173 16.971 1.00 45.21 ATOM 144 C SER 9 1.508 3.290 13.733 1.00 50.41 ATOM 145 O SER 9 2.610 2.842 13.415 1.00 21.03 ATOM 146 N HIS 10 0.896 4.254 13.052 1.00 11.44 ATOM 147 HN HIS 10 0.010 4.572 13.344 1.00 37.00 ATOM 148 CA HIS 10 1.498 4.854 11.867 1.00 2.43 ATOM 149 HA HIS 10 2.513 4.490 11.754 1.00 13.21 ATOM 150 CB HIS 10 0.704 4.474 10.618 1.00 54.45 ATOM 151 HB1 HIS 10 1.125 4.975 9.756 1.00 37.00 ATOM 152 HB2 HIS 10 -0.323 4.779 10.739 1.00 4.35 ATOM 153 CG HIS 10 0.704 3.004 10.332 1.00 52.23 ATOM 154 ND1 HIS 10 -0.330 2.364 9.681 1.00 21.24 ATOM 155 HD1 HIS 10 -1.148 2.789 9.348 1.00 61.31 ATOM 156 CD2 HIS 10 1.621 2.048 10.610 1.00 12.31 ATOM 157 HD2 HIS 10 2.574 2.195 11.094 1.00 33.41 ATOM 158 CE1 HIS 10 -0.050 1.077 9.574 1.00 45.32 ATOM 159 HE1 HIS 10 -0.677 0.330 9.110 1.00 12.24 ATOM 160 NE2 HIS 10 1.129 0.860 10.129 1.00 20.21 ATOM 161 HE2 HIS 10 1.535 -0.021 10.265 1.00 37.00 ATOM 162 C HIS 10 1.564 6.373 12.001 1.00 74.13 ATOM 163 O HIS 10 2.641 6.946 12.160 1.00 62.52 ATOM 164 N MET 11 0.404 7.018 11.934 1.00 51.50 ATOM 165 HN MET 11 -0.434 6.512 11.832 1.00 37.00 ATOM 166 CA MET 11 0.330 8.470 12.048 1.00 43.52 ATOM 167 HA MET 11 0.939 8.777 12.890 1.00 14.03 ATOM 168 CB MET 11 0.873 9.131 10.779 1.00 4.13 ATOM 169 HB1 MET 11 1.912 8.851 10.670 1.00 37.00 ATOM 170 HB2 MET 11 0.809 10.206 10.882 1.00 35.05 ATOM 171 CG MET 11 0.131 8.724 9.517 1.00 40.23 ATOM 172 HG1 MET 11 -0.884 9.087 9.583 1.00 37.00 ATOM 173 HG2 MET 11 0.121 7.645 9.449 1.00 51.31 ATOM 174 SD MET 11 0.894 9.380 8.020 1.00 24.44 ATOM 175 CE MET 11 -0.556 9.806 7.059 1.00 23.23 ATOM 176 HE1 MET 11 -1.148 8.919 6.889 1.00 53.12 ATOM 177 HE2 MET 11 -0.250 10.222 6.111 1.00 3.33 ATOM 178 HE3 MET 11 -1.144 10.534 7.598 1.00 14.22 ATOM 179 C MET 11 -1.105 8.924 12.297 1.00 5.21 ATOM 180 O MET 11 -2.055 8.204 11.994 1.00 63.35 ATOM 181 N ALA 12 -1.253 10.123 12.852 1.00 75.31 ATOM 182 HN ALA 12 -0.454 10.652 13.089 1.00 37.00 ATOM 183 CA ALA 12 -2.572 10.672 13.140 1.00 13.50 ATOM 184 HA ALA 12 -3.303 10.198 12.494 1.00 11.14 ATOM 185 CB ALA 12 -2.964 10.377 14.580 1.00 11.13 ATOM 186 HB1 ALA 12 -2.274 10.867 15.253 1.00 42.12 ATOM 187 HB2 ALA 12 -2.930 9.311 14.748 1.00 3.03 ATOM 188 HB3 ALA 12 -3.966 10.737 14.766 1.00 2.33 ATOM 189 C ALA 12 -2.611 12.174 12.877 1.00 63.03 ATOM 190 O ALA 12 -1.573 12.835 12.837 1.00 64.33 ATOM 191 N LYS 13 -3.814 12.708 12.697 1.00 71.21 ATOM 192 HN LYS 13 -4.610 12.125 12.733 1.00 37.00 ATOM 193 CA LYS 13 -3.989 14.132 12.438 1.00 61.03 ATOM 194 HA LYS 13 -3.432 14.687 13.180 1.00 51.25 ATOM 195 CB LYS 13 -3.434 14.492 11.058 1.00 50.13 ATOM 196 HB1 LYS 13 -2.355 14.449 11.103 1.00 37.00 ATOM 197 HB2 LYS 13 -3.729 15.507 10.811 1.00 41.24 ATOM 198 CG LYS 13 -3.895 13.556 9.954 1.00 50.34 ATOM 199 HG1 LYS 13 -4.936 13.300 10.102 1.00 37.00 ATOM 200 HG2 LYS 13 -3.298 12.657 9.991 1.00 62.51 ATOM 201 CD LYS 13 -3.733 14.190 8.582 1.00 73.20 ATOM 202 HD1 LYS 13 -2.681 14.342 8.388 1.00 37.00 ATOM 203 HD2 LYS 13 -4.246 15.142 8.566 1.00 31.43 ATOM 204 CE LYS 13 -4.315 13.307 7.488 1.00 3.03 ATOM 205 HE1 LYS 13 -5.391 13.393 7.509 1.00 37.00 ATOM 206 HE2 LYS 13 -4.033 12.277 7.668 1.00 34.15 ATOM 207 NZ LYS 13 -3.825 13.701 6.138 1.00 3.04 ATOM 208 HZ1 LYS 13 -4.095 14.685 5.927 1.00 3.34 ATOM 209 HZ2 LYS 13 -4.241 13.080 5.415 1.00 51.43 ATOM 210 HZ3 LYS 13 -2.788 13.619 6.091 1.00 25.32 ATOM 211 C LYS 13 -5.460 14.524 12.524 1.00 55.13 ATOM 212 O LYS 13 -6.111 14.809 11.518 1.00 15.24 ATOM 213 N PRO 14 -5.999 14.541 13.752 1.00 25.22 ATOM 214 CA PRO 14 -7.399 14.899 13.998 1.00 24.44 ATOM 215 HA PRO 14 -8.070 14.297 13.399 1.00 54.45 ATOM 216 CB PRO 14 -7.597 14.557 15.477 1.00 33.32 ATOM 217 HB1 PRO 14 -7.989 13.555 15.561 1.00 37.00 ATOM 218 HB2 PRO 14 -8.284 15.252 15.946 1.00 24.42 ATOM 219 CG PRO 14 -6.235 14.648 16.073 1.00 31.14 ATOM 220 HG1 PRO 14 -6.163 13.990 16.926 1.00 37.00 ATOM 221 HG2 PRO 14 -6.030 15.667 16.366 1.00 41.14 ATOM 222 CD PRO 14 -5.281 14.212 14.996 1.00 53.24 ATOM 223 HD1 PRO 14 -5.092 13.151 15.065 1.00 37.00 ATOM 224 HD2 PRO 14 -4.359 14.767 15.075 1.00 60.34 ATOM 225 C PRO 14 -7.671 16.379 13.753 1.00 65.33 ATOM 226 O PRO 14 -7.222 17.238 14.512 1.00 12.05 ATOM 227 N THR 15 -8.408 16.671 12.686 1.00 15.22 ATOM 228 HN THR 15 -8.747 15.939 12.116 1.00 37.00 ATOM 229 CA THR 15 -8.740 18.048 12.340 1.00 64.41 ATOM 230 HA THR 15 -7.829 18.638 12.410 1.00 4.22 ATOM 231 CB THR 15 -9.264 18.153 10.895 1.00 21.14 ATOM 232 HB THR 15 -10.251 17.709 10.843 1.00 13.22 ATOM 233 OG1 THR 15 -8.395 17.443 10.006 1.00 72.31 ATOM 234 HG1 THR 15 -8.881 17.179 9.220 1.00 20.34 ATOM 235 CG2 THR 15 -9.364 19.607 10.461 1.00 52.32 ATOM 236 HG21 THR 15 -8.406 20.093 10.586 1.00 43.54 ATOM 237 HG22 THR 15 -10.107 20.116 11.056 1.00 54.41 ATOM 238 HG23 THR 15 -9.651 19.649 9.421 1.00 40.10 ATOM 239 C THR 15 -9.786 18.617 13.291 1.00 2.31 ATOM 240 O THR 15 -10.958 18.248 13.233 1.00 71.42 ATOM 241 N ALA 16 -9.354 19.520 14.166 1.00 33.20 ATOM 242 HN ALA 16 -8.405 19.784 14.171 1.00 37.00 ATOM 243 CA ALA 16 -10.255 20.143 15.128 1.00 20.30 ATOM 244 HA ALA 16 -11.249 19.725 15.018 1.00 32.22 ATOM 245 CB ALA 16 -9.793 19.852 16.548 1.00 10.23 ATOM 246 HB1 ALA 16 -8.819 20.291 16.711 1.00 23.51 ATOM 247 HB2 ALA 16 -9.732 18.783 16.692 1.00 12.33 ATOM 248 HB3 ALA 16 -10.499 20.268 17.253 1.00 53.13 ATOM 249 C ALA 16 -10.349 21.647 14.898 1.00 51.14 ATOM 250 O ALA 16 -9.954 22.441 15.751 1.00 1.33 ATOM 251 N ARG 17 -10.874 22.032 13.739 1.00 61.12 ATOM 252 HN ARG 17 -11.169 21.355 13.087 1.00 37.00 ATOM 253 CA ARG 17 -11.018 23.442 13.396 1.00 63.41 ATOM 254 HA ARG 17 -10.774 24.050 14.260 1.00 51.45 ATOM 255 CB ARG 17 -10.071 23.809 12.252 1.00 3.41 ATOM 256 HB1 ARG 17 -10.374 24.755 11.816 1.00 37.00 ATOM 257 HB2 ARG 17 -10.139 23.043 11.491 1.00 63.32 ATOM 258 CG ARG 17 -8.615 23.916 12.677 1.00 72.11 ATOM 259 HG1 ARG 17 -7.992 23.826 11.799 1.00 37.00 ATOM 260 HG2 ARG 17 -8.378 23.118 13.368 1.00 70.02 ATOM 261 CD ARG 17 -8.327 25.250 13.346 1.00 4.45 ATOM 262 HD1 ARG 17 -7.316 25.231 13.727 1.00 37.00 ATOM 263 HD2 ARG 17 -9.015 25.389 14.170 1.00 52.31 ATOM 264 NE ARG 17 -8.459 26.369 12.417 1.00 12.11 ATOM 265 HE ARG 17 -8.660 26.165 11.474 1.00 5.43 ATOM 266 CZ ARG 17 -8.323 27.641 12.774 1.00 14.33 ATOM 267 NH1 ARG 17 -8.052 27.954 14.034 1.00 52.42 ATOM 268 HH11 ARG 17 -7.945 27.249 14.733 1.00 42.54 ATOM 269 HH12 ARG 17 -7.951 28.916 14.295 1.00 52.11 ATOM 270 NH2 ARG 17 -8.459 28.603 11.871 1.00 45.54 ATOM 271 HH21 ARG 17 -8.665 28.373 10.917 1.00 2.31 ATOM 272 HH22 ARG 17 -8.357 29.564 12.138 1.00 13.43 ATOM 273 C ARG 17 -12.457 23.761 13.002 1.00 42.14 ATOM 274 O ARG 17 -13.282 22.862 12.843 1.00 43.55 ATOM 275 N GLY 18 -12.751 25.049 12.846 1.00 24.42 ATOM 276 HN GLY 18 -12.057 25.733 12.984 1.00 37.00 ATOM 277 CA GLY 18 -14.090 25.464 12.473 1.00 70.12 ATOM 278 HA1 GLY 18 -14.640 24.638 12.039 1.00 37.00 ATOM 279 HA2 GLY 18 -14.007 26.243 11.730 1.00 64.43 ATOM 280 C GLY 18 -14.877 26.010 13.648 1.00 64.30 ATOM 281 O GLY 18 -15.820 25.376 14.119 1.00 71.41 ATOM 282 N GLU 19 -14.486 27.188 14.123 1.00 13.24 ATOM 283 HN GLU 19 -13.731 27.659 13.696 1.00 37.00 ATOM 284 CA GLU 19 -15.161 27.817 15.253 1.00 70.01 ATOM 285 HA GLU 19 -15.685 27.053 15.821 1.00 4.42 ATOM 286 CB GLU 19 -14.142 28.497 16.170 1.00 32.41 ATOM 287 HB1 GLU 19 -14.601 29.350 16.658 1.00 37.00 ATOM 288 HB2 GLU 19 -13.315 28.852 15.568 1.00 51.22 ATOM 289 CG GLU 19 -13.604 27.587 17.262 1.00 14.00 ATOM 290 HG1 GLU 19 -13.594 26.563 16.908 1.00 37.00 ATOM 291 HG2 GLU 19 -14.253 27.659 18.122 1.00 75.22 ATOM 292 CD GLU 19 -12.198 27.959 17.691 1.00 15.03 ATOM 293 OE1 GLU 19 -12.018 29.070 18.232 1.00 55.51 ATOM 294 OE2 GLU 19 -11.279 27.140 17.487 1.00 63.22 ATOM 295 C GLU 19 -16.190 28.837 14.773 1.00 24.11 ATOM 296 O GLU 19 -15.910 30.034 14.710 1.00 61.30 ATOM 297 N ALA 20 -17.381 28.353 14.435 1.00 4.54 ATOM 298 HN ALA 20 -17.543 27.381 14.491 1.00 37.00 ATOM 299 CA ALA 20 -18.452 29.222 13.963 1.00 64.12 ATOM 300 HA ALA 20 -18.382 30.174 14.477 1.00 62.42 ATOM 301 CB ALA 20 -18.300 29.482 12.471 1.00 15.43 ATOM 302 HB1 ALA 20 -19.040 30.203 12.154 1.00 54.23 ATOM 303 HB2 ALA 20 -18.435 28.560 11.922 1.00 21.05 ATOM 304 HB3 ALA 20 -17.313 29.874 12.275 1.00 74.00 ATOM 305 C ALA 20 -19.820 28.618 14.260 1.00 22.12 ATOM 306 O ALA 20 -19.922 27.469 14.687 1.00 34.23 ATOM 307 N GLY 21 -20.870 29.401 14.032 1.00 1.21 ATOM 308 HN GLY 21 -20.732 30.320 13.700 1.00 37.00 ATOM 309 CA GLY 21 -22.218 28.926 14.282 1.00 31.03 ATOM 310 HA1 GLY 21 -22.503 29.207 15.285 1.00 37.00 ATOM 311 HA2 GLY 21 -22.255 27.846 14.199 1.00 35.33 ATOM 312 C GLY 21 -23.227 29.508 13.312 1.00 32.32 ATOM 313 O GLY 21 -24.378 29.751 13.675 1.00 40.31 ATOM 314 N SER 22 -22.795 29.733 12.075 1.00 33.44 ATOM 315 HN SER 22 -21.874 29.488 11.825 1.00 37.00 ATOM 316 CA SER 22 -23.668 30.295 11.051 1.00 20.24 ATOM 317 HA SER 22 -24.415 30.918 11.529 1.00 54.44 ATOM 318 CB SER 22 -22.862 31.166 10.086 1.00 4.03 ATOM 319 HB1 SER 22 -23.393 31.282 9.149 1.00 37.00 ATOM 320 HB2 SER 22 -21.909 30.706 9.896 1.00 54.45 ATOM 321 OG SER 22 -22.641 32.457 10.627 1.00 14.14 ATOM 322 HG SER 22 -21.912 32.426 11.252 1.00 22.13 ATOM 323 C SER 22 -24.383 29.189 10.280 1.00 1.43 ATOM 324 O SER 22 -24.111 28.005 10.477 1.00 73.12 ATOM 325 N ARG 23 -25.298 29.586 9.402 1.00 12.10 ATOM 326 HN ARG 23 -25.466 30.552 9.282 1.00 37.00 ATOM 327 CA ARG 23 -26.054 28.630 8.602 1.00 42.24 ATOM 328 HA ARG 23 -26.379 27.828 9.256 1.00 53.01 ATOM 329 CB ARG 23 -27.282 29.305 7.987 1.00 24.02 ATOM 330 HB1 ARG 23 -27.006 29.777 7.050 1.00 37.00 ATOM 331 HB2 ARG 23 -27.633 30.072 8.667 1.00 2.50 ATOM 332 CG ARG 23 -28.439 28.352 7.737 1.00 62.04 ATOM 333 HG1 ARG 23 -28.977 28.206 8.662 1.00 37.00 ATOM 334 HG2 ARG 23 -28.057 27.402 7.386 1.00 43.02 ATOM 335 CD ARG 23 -29.397 28.902 6.692 1.00 71.13 ATOM 336 HD1 ARG 23 -30.115 28.132 6.448 1.00 37.00 ATOM 337 HD2 ARG 23 -28.840 29.164 5.802 1.00 22.02 ATOM 338 NE ARG 23 -30.114 30.080 7.173 1.00 75.52 ATOM 339 HE ARG 23 -29.933 30.388 8.092 1.00 74.52 ATOM 340 CZ ARG 23 -30.993 30.755 6.440 1.00 3.22 ATOM 341 NH1 ARG 23 -31.261 30.371 5.200 1.00 40.42 ATOM 342 HH11 ARG 23 -30.813 29.575 4.794 1.00 42.14 ATOM 343 HH12 ARG 23 -31.926 30.886 4.654 1.00 43.23 ATOM 344 NH2 ARG 23 -31.605 31.817 6.948 1.00 32.15 ATOM 345 HH21 ARG 23 -31.406 32.113 7.885 1.00 3.13 ATOM 346 HH22 ARG 23 -32.268 32.328 6.397 1.00 23.35 ATOM 347 C ARG 23 -25.182 28.035 7.499 1.00 14.04 ATOM 348 O ARG 23 -25.035 26.817 7.401 1.00 63.21 ATOM 349 N ASP 24 -24.608 28.902 6.673 1.00 14.51 ATOM 350 HN ASP 24 -24.753 29.868 6.818 1.00 37.00 ATOM 351 CA ASP 24 -23.751 28.463 5.578 1.00 12.12 ATOM 352 HA ASP 24 -24.320 27.786 4.955 1.00 74.43 ATOM 353 CB ASP 24 -23.315 29.660 4.732 1.00 40.11 ATOM 354 HB1 ASP 24 -22.745 29.308 3.883 1.00 37.00 ATOM 355 HB2 ASP 24 -22.696 30.315 5.330 1.00 33.41 ATOM 356 CG ASP 24 -24.492 30.463 4.215 1.00 52.41 ATOM 357 OD1 ASP 24 -24.374 31.704 4.135 1.00 71.21 ATOM 358 OD2 ASP 24 -25.532 29.852 3.891 1.00 30.33 ATOM 359 C ASP 24 -22.526 27.726 6.110 1.00 44.54 ATOM 360 O ASP 24 -21.955 26.878 5.425 1.00 33.31 ATOM 361 N GLU 25 -22.126 28.058 7.333 1.00 12.43 ATOM 362 HN GLU 25 -22.595 28.767 7.828 1.00 37.00 ATOM 363 CA GLU 25 -20.967 27.429 7.955 1.00 42.13 ATOM 364 HA GLU 25 -20.131 27.527 7.276 1.00 5.03 ATOM 365 CB GLU 25 -20.638 28.114 9.283 1.00 63.02 ATOM 366 HB1 GLU 25 -20.145 27.411 9.946 1.00 37.00 ATOM 367 HB2 GLU 25 -21.557 28.440 9.751 1.00 2.30 ATOM 368 CG GLU 25 -19.731 29.324 9.135 1.00 24.03 ATOM 369 HG1 GLU 25 -19.615 29.790 10.098 1.00 37.00 ATOM 370 HG2 GLU 25 -20.195 30.025 8.455 1.00 21.24 ATOM 371 CD GLU 25 -18.359 28.963 8.599 1.00 21.10 ATOM 372 OE1 GLU 25 -17.932 29.576 7.599 1.00 40.32 ATOM 373 OE2 GLU 25 -17.712 28.066 9.181 1.00 54.43 ATOM 374 C GLU 25 -21.214 25.941 8.185 1.00 63.12 ATOM 375 O GLU 25 -20.350 25.108 7.910 1.00 21.21 ATOM 376 N ARG 26 -22.398 25.615 8.691 1.00 15.02 ATOM 377 HN ARG 26 -23.047 26.327 8.905 1.00 37.00 ATOM 378 CA ARG 26 -22.759 24.228 8.960 1.00 11.33 ATOM 379 HA ARG 26 -22.110 23.854 9.736 1.00 73.21 ATOM 380 CB ARG 26 -24.211 24.139 9.434 1.00 41.20 ATOM 381 HB1 ARG 26 -24.547 23.111 9.339 1.00 37.00 ATOM 382 HB2 ARG 26 -24.824 24.765 8.801 1.00 52.34 ATOM 383 CG ARG 26 -24.410 24.582 10.874 1.00 1.42 ATOM 384 HG1 ARG 26 -24.507 25.655 10.900 1.00 37.00 ATOM 385 HG2 ARG 26 -23.553 24.284 11.465 1.00 62.42 ATOM 386 CD ARG 26 -25.653 23.954 11.484 1.00 73.13 ATOM 387 HD1 ARG 26 -25.500 23.880 12.552 1.00 37.00 ATOM 388 HD2 ARG 26 -25.805 22.961 11.081 1.00 50.44 ATOM 389 NE ARG 26 -26.849 24.756 11.238 1.00 4.22 ATOM 390 HE ARG 26 -26.763 25.546 10.654 1.00 13.13 ATOM 391 CZ ARG 26 -28.040 24.477 11.755 1.00 10.00 ATOM 392 NH1 ARG 26 -28.194 23.421 12.542 1.00 10.21 ATOM 393 HH11 ARG 26 -27.427 22.819 12.761 1.00 64.20 ATOM 394 HH12 ARG 26 -29.096 23.218 12.928 1.00 70.10 ATOM 395 NH2 ARG 26 -29.080 25.255 11.485 1.00 15.12 ATOM 396 HH21 ARG 26 -28.970 26.055 10.891 1.00 11.04 ATOM 397 HH22 ARG 26 -29.980 25.047 11.874 1.00 5.13 ATOM 398 C ARG 26 -22.565 23.365 7.717 1.00 25.12 ATOM 399 O ARG 26 -22.079 22.237 7.803 1.00 63.04 ATOM 400 N ARG 27 -22.948 23.903 6.564 1.00 64.42 ATOM 401 HN ARG 27 -23.319 24.816 6.557 1.00 37.00 ATOM 402 CA ARG 27 -22.817 23.181 5.304 1.00 50.03 ATOM 403 HA ARG 27 -23.292 22.215 5.415 1.00 2.11 ATOM 404 CB ARG 27 -23.518 23.945 4.179 1.00 44.32 ATOM 405 HB1 ARG 27 -23.531 23.306 3.323 1.00 37.00 ATOM 406 HB2 ARG 27 -22.960 24.844 3.947 1.00 44.23 ATOM 407 CG ARG 27 -24.947 24.343 4.511 1.00 63.44 ATOM 408 HG1 ARG 27 -24.931 25.279 5.049 1.00 37.00 ATOM 409 HG2 ARG 27 -25.400 23.578 5.130 1.00 64.23 ATOM 410 CD ARG 27 -25.784 24.513 3.253 1.00 42.35 ATOM 411 HD1 ARG 27 -25.479 23.776 2.519 1.00 37.00 ATOM 412 HD2 ARG 27 -25.614 25.498 2.844 1.00 70.02 ATOM 413 NE ARG 27 -27.208 24.324 3.513 1.00 33.10 ATOM 414 HE ARG 27 -27.600 23.459 3.263 1.00 11.55 ATOM 415 CZ ARG 27 -27.985 25.251 4.062 1.00 3.40 ATOM 416 NH1 ARG 27 -27.477 26.427 4.406 1.00 20.11 ATOM 417 HH11 ARG 27 -26.514 26.642 4.267 1.00 45.34 ATOM 418 HH12 ARG 27 -28.073 27.121 4.816 1.00 11.12 ATOM 419 NH2 ARG 27 -29.272 25.004 4.267 1.00 11.13 ATOM 420 HH21 ARG 27 -29.662 24.118 4.009 1.00 14.20 ATOM 421 HH22 ARG 27 -29.860 25.702 4.681 1.00 74.44 ATOM 422 C ARG 27 -21.348 22.967 4.950 1.00 74.34 ATOM 423 O ARG 27 -20.990 21.971 4.321 1.00 51.31 ATOM 424 N ALA 28 -20.503 23.908 5.357 1.00 33.14 ATOM 425 HN ALA 28 -20.844 24.697 5.830 1.00 37.00 ATOM 426 CA ALA 28 -19.074 23.821 5.085 1.00 50.33 ATOM 427 HA ALA 28 -18.938 23.607 4.031 1.00 32.14 ATOM 428 CB ALA 28 -18.399 25.153 5.379 1.00 71.12 ATOM 429 HB1 ALA 28 -18.405 25.351 6.440 1.00 15.41 ATOM 430 HB2 ALA 28 -18.937 25.934 4.870 1.00 71.22 ATOM 431 HB3 ALA 28 -17.380 25.127 5.022 1.00 31.21 ATOM 432 C ALA 28 -18.426 22.706 5.899 1.00 53.51 ATOM 433 O ALA 28 -17.867 21.761 5.341 1.00 32.04 ATOM 434 N LEU 29 -18.504 22.823 7.220 1.00 52.22 ATOM 435 HN LEU 29 -18.941 23.619 7.598 1.00 37.00 ATOM 436 CA LEU 29 -17.925 21.825 8.112 1.00 64.23 ATOM 437 HA LEU 29 -16.865 21.764 7.906 1.00 33.22 ATOM 438 CB LEU 29 -18.119 22.241 9.571 1.00 42.54 ATOM 439 HB1 LEU 29 -17.401 23.026 9.770 1.00 37.00 ATOM 440 HB2 LEU 29 -17.856 21.398 10.205 1.00 45.22 ATOM 441 CG LEU 29 -19.513 22.745 9.945 1.00 33.41 ATOM 442 HG LEU 29 -20.145 22.784 9.076 1.00 5.22 ATOM 443 CD1 LEU 29 -20.176 21.795 10.931 1.00 12.42 ATOM 444 HD11 LEU 29 -21.169 22.152 11.167 1.00 4.12 ATOM 445 HD12 LEU 29 -19.589 21.741 11.838 1.00 44.13 ATOM 446 HD13 LEU 29 -20.248 20.809 10.492 1.00 3.13 ATOM 447 CD2 LEU 29 -19.436 24.150 10.524 1.00 24.43 ATOM 448 HD21 LEU 29 -18.944 24.808 9.823 1.00 32.21 ATOM 449 HD22 LEU 29 -18.871 24.131 11.446 1.00 42.11 ATOM 450 HD23 LEU 29 -20.428 24.520 10.725 1.00 54.05 ATOM 451 C LEU 29 -18.550 20.454 7.875 1.00 55.23 ATOM 452 O LEU 29 -17.927 19.424 8.127 1.00 25.02 ATOM 453 N ALA 30 -19.786 20.450 7.386 1.00 14.23 ATOM 454 HN ALA 30 -20.259 21.299 7.237 1.00 37.00 ATOM 455 CA ALA 30 -20.495 19.207 7.111 1.00 71.40 ATOM 456 HA ALA 30 -20.437 18.578 7.992 1.00 72.01 ATOM 457 CB ALA 30 -21.965 19.487 6.836 1.00 71.51 ATOM 458 HB1 ALA 30 -22.435 19.845 7.738 1.00 73.03 ATOM 459 HB2 ALA 30 -22.461 18.580 6.515 1.00 11.22 ATOM 460 HB3 ALA 30 -22.051 20.237 6.064 1.00 31.12 ATOM 461 C ALA 30 -19.867 18.465 5.936 1.00 42.33 ATOM 462 O ALA 30 -19.891 17.236 5.881 1.00 54.24 ATOM 463 N MET 31 -19.305 19.221 4.998 1.00 73.24 ATOM 464 HN MET 31 -19.313 20.202 5.083 1.00 37.00 ATOM 465 CA MET 31 -18.670 18.634 3.823 1.00 11.13 ATOM 466 HA MET 31 -19.024 17.620 3.699 1.00 21.42 ATOM 467 CB MET 31 -19.018 19.442 2.572 1.00 51.04 ATOM 468 HB1 MET 31 -18.394 19.120 1.747 1.00 37.00 ATOM 469 HB2 MET 31 -18.820 20.485 2.770 1.00 22.20 ATOM 470 CG MET 31 -20.473 19.312 2.149 1.00 5.03 ATOM 471 HG1 MET 31 -20.653 19.983 1.331 1.00 37.00 ATOM 472 HG2 MET 31 -21.110 19.576 2.979 1.00 61.11 ATOM 473 SD MET 31 -20.890 17.646 1.601 1.00 72.04 ATOM 474 CE MET 31 -20.142 17.628 -0.027 1.00 31.13 ATOM 475 HE1 MET 31 -19.738 16.647 -0.228 1.00 53.53 ATOM 476 HE2 MET 31 -19.353 18.360 -0.075 1.00 21.04 ATOM 477 HE3 MET 31 -20.894 17.861 -0.758 1.00 23.25 ATOM 478 C MET 31 -17.156 18.572 3.998 1.00 10.21 ATOM 479 O MET 31 -16.446 18.017 3.159 1.00 1.22 ATOM 480 N LYS 32 -16.667 19.146 5.093 1.00 73.45 ATOM 481 HN LYS 32 -17.256 19.589 5.726 1.00 37.00 ATOM 482 CA LYS 32 -15.238 19.155 5.379 1.00 44.24 ATOM 483 HA LYS 32 -15.094 19.637 6.334 1.00 44.24 ATOM 484 CB LYS 32 -14.703 17.724 5.457 1.00 23.52 ATOM 485 HB1 LYS 32 -13.696 17.765 5.850 1.00 37.00 ATOM 486 HB2 LYS 32 -14.671 17.291 4.468 1.00 12.15 ATOM 487 CG LYS 32 -15.531 16.813 6.347 1.00 71.34 ATOM 488 HG1 LYS 32 -16.427 16.523 5.818 1.00 37.00 ATOM 489 HG2 LYS 32 -15.805 17.350 7.247 1.00 24.13 ATOM 490 CD LYS 32 -14.754 15.571 6.752 1.00 42.44 ATOM 491 HD1 LYS 32 -15.303 15.058 7.528 1.00 37.00 ATOM 492 HD2 LYS 32 -13.783 15.859 7.131 1.00 24.21 ATOM 493 CE LYS 32 -14.566 14.623 5.577 1.00 12.41 ATOM 494 HE1 LYS 32 -13.799 13.909 5.838 1.00 37.00 ATOM 495 HE2 LYS 32 -14.250 15.172 4.702 1.00 31.22 ATOM 496 NZ LYS 32 -15.816 13.879 5.260 1.00 32.44 ATOM 497 HZ1 LYS 32 -15.643 13.215 4.479 1.00 32.51 ATOM 498 HZ2 LYS 32 -16.568 14.537 4.974 1.00 62.14 ATOM 499 HZ3 LYS 32 -16.138 13.339 6.091 1.00 0.10 ATOM 500 C LYS 32 -14.475 19.936 4.313 1.00 1.44 ATOM 501 O LYS 32 -13.631 19.381 3.608 1.00 15.45 ATOM 502 N ILE 33 -14.776 21.226 4.203 1.00 24.10 ATOM 503 HN ILE 33 -15.454 21.619 4.804 1.00 37.00 ATOM 504 CA ILE 33 -14.116 22.083 3.226 1.00 61.34 ATOM 505 HA ILE 33 -13.980 21.497 2.332 1.00 51.41 ATOM 506 CB ILE 33 -14.983 23.306 2.873 1.00 22.13 ATOM 507 HB ILE 33 -15.116 23.902 3.766 1.00 72.43 ATOM 508 CG1 ILE 33 -16.356 22.857 2.369 1.00 43.13 ATOM 509 HG11 ILE 33 -16.961 23.730 2.165 1.00 37.00 ATOM 510 HG12 ILE 33 -16.844 22.263 3.128 1.00 24.22 ATOM 511 CG2 ILE 33 -14.285 24.167 1.831 1.00 0.11 ATOM 512 HG21 ILE 33 -14.126 23.609 0.927 1.00 20.00 ATOM 513 HG22 ILE 33 -13.349 24.503 2.205 1.00 64.44 ATOM 514 HG23 ILE 33 -14.901 25.027 1.609 1.00 34.52 ATOM 515 CD1 ILE 33 -16.294 22.032 1.102 1.00 10.23 ATOM 516 HD11 ILE 33 -15.854 22.607 0.304 1.00 11.30 ATOM 517 HD12 ILE 33 -17.298 21.752 0.818 1.00 64.11 ATOM 518 HD13 ILE 33 -15.716 21.138 1.267 1.00 20.11 ATOM 519 C ILE 33 -12.763 22.563 3.740 1.00 13.41 ATOM 520 O ILE 33 -12.630 23.020 4.876 1.00 42.34 ATOM 521 N PRO 34 -11.735 22.461 2.886 1.00 63.45 ATOM 522 CA PRO 34 -10.374 22.882 3.231 1.00 43.15 ATOM 523 HA PRO 34 -10.036 22.420 4.147 1.00 35.05 ATOM 524 CB PRO 34 -9.535 22.369 2.057 1.00 32.44 ATOM 525 HB1 PRO 34 -9.139 21.395 2.301 1.00 37.00 ATOM 526 HB2 PRO 34 -8.716 23.046 1.842 1.00 14.20 ATOM 527 CG PRO 34 -10.490 22.286 0.917 1.00 40.02 ATOM 528 HG1 PRO 34 -10.172 21.517 0.229 1.00 37.00 ATOM 529 HG2 PRO 34 -10.543 23.225 0.421 1.00 43.30 ATOM 530 CD PRO 34 -11.821 21.926 1.516 1.00 31.43 ATOM 531 HD1 PRO 34 -11.947 20.853 1.530 1.00 37.00 ATOM 532 HD2 PRO 34 -12.603 22.383 0.952 1.00 74.24 ATOM 533 C PRO 34 -10.249 24.397 3.352 1.00 51.05 ATOM 534 O PRO 34 -9.578 24.905 4.250 1.00 12.02 ATOM 535 N PHE 35 -10.900 25.114 2.441 1.00 2.24 ATOM 536 HN PHE 35 -11.442 24.656 1.780 1.00 37.00 ATOM 537 CA PHE 35 -10.861 26.572 2.446 1.00 32.12 ATOM 538 HA PHE 35 -9.977 26.883 2.988 1.00 70.32 ATOM 539 CB PHE 35 -10.757 27.105 1.016 1.00 51.12 ATOM 540 HB1 PHE 35 -9.769 26.879 0.637 1.00 37.00 ATOM 541 HB2 PHE 35 -10.886 28.179 1.012 1.00 4.41 ATOM 542 CG PHE 35 -11.768 26.509 0.079 1.00 60.44 ATOM 543 CD1 PHE 35 -11.452 25.398 -0.687 1.00 20.44 ATOM 544 HD1 PHE 35 -10.466 24.965 -0.614 1.00 21.21 ATOM 545 CD2 PHE 35 -13.034 27.059 -0.038 1.00 11.34 ATOM 546 HD2 PHE 35 -13.296 27.925 0.551 1.00 63.24 ATOM 547 CE1 PHE 35 -12.380 24.846 -1.550 1.00 20.13 ATOM 548 HE1 PHE 35 -12.116 23.982 -2.135 1.00 11.33 ATOM 549 CE2 PHE 35 -13.966 26.512 -0.899 1.00 33.24 ATOM 550 HE2 PHE 35 -14.939 26.940 -0.986 1.00 24.45 ATOM 551 CZ PHE 35 -13.638 25.405 -1.657 1.00 35.45 ATOM 552 HZ PHE 35 -14.362 24.978 -2.330 1.00 32.24 ATOM 553 C PHE 35 -12.100 27.147 3.126 1.00 35.42 ATOM 554 O PHE 35 -13.152 26.511 3.196 1.00 34.32 ATOM 555 N PRO 36 -11.975 28.379 3.641 1.00 64.14 ATOM 556 CA PRO 36 -13.073 29.067 4.324 1.00 14.35 ATOM 557 HA PRO 36 -13.483 28.461 5.121 1.00 13.43 ATOM 558 CB PRO 36 -12.400 30.306 4.919 1.00 0.54 ATOM 559 HB1 PRO 36 -12.095 30.093 5.932 1.00 37.00 ATOM 560 HB2 PRO 36 -13.077 31.152 4.918 1.00 74.41 ATOM 561 CG PRO 36 -11.218 30.551 4.047 1.00 64.14 ATOM 562 HG1 PRO 36 -10.441 31.048 4.609 1.00 37.00 ATOM 563 HG2 PRO 36 -11.510 31.143 3.209 1.00 0.33 ATOM 564 CD PRO 36 -10.750 29.195 3.594 1.00 51.44 ATOM 565 HD1 PRO 36 -10.003 28.809 4.273 1.00 37.00 ATOM 566 HD2 PRO 36 -10.353 29.263 2.599 1.00 24.51 ATOM 567 C PRO 36 -14.188 29.475 3.367 1.00 63.43 ATOM 568 O PRO 36 -13.960 29.647 2.169 1.00 64.02 ATOM 569 N THR 37 -15.395 29.628 3.902 1.00 72.04 ATOM 570 HN THR 37 -15.507 29.504 4.873 1.00 37.00 ATOM 571 CA THR 37 -16.545 30.015 3.094 1.00 33.52 ATOM 572 HA THR 37 -16.554 29.407 2.209 1.00 11.25 ATOM 573 CB THR 37 -17.867 29.776 3.849 1.00 61.03 ATOM 574 HB THR 37 -18.690 29.927 3.164 1.00 41.04 ATOM 575 OG1 THR 37 -17.986 30.704 4.933 1.00 74.41 ATOM 576 HG1 THR 37 -17.266 30.593 5.567 1.00 71.32 ATOM 577 CG2 THR 37 -17.936 28.353 4.382 1.00 33.00 ATOM 578 HG21 THR 37 -17.784 27.651 3.573 1.00 53.11 ATOM 579 HG22 THR 37 -18.908 28.185 4.821 1.00 14.32 ATOM 580 HG23 THR 37 -17.177 28.206 5.134 1.00 31.22 ATOM 581 C THR 37 -16.463 31.481 2.687 1.00 13.22 ATOM 582 O THR 37 -16.879 31.855 1.590 1.00 0.03 ATOM 583 N ASP 38 -15.925 32.308 3.577 1.00 64.14 ATOM 584 HN ASP 38 -15.626 31.959 4.449 1.00 37.00 ATOM 585 CA ASP 38 -15.786 33.735 3.309 1.00 74.32 ATOM 586 HA ASP 38 -16.778 34.135 3.134 1.00 32.14 ATOM 587 CB ASP 38 -15.164 34.443 4.513 1.00 53.51 ATOM 588 HB1 ASP 38 -14.099 34.248 4.546 1.00 37.00 ATOM 589 HB2 ASP 38 -15.618 34.062 5.417 1.00 5.30 ATOM 590 CG ASP 38 -15.382 35.943 4.478 1.00 15.31 ATOM 591 OD1 ASP 38 -16.547 36.377 4.603 1.00 72.13 ATOM 592 OD2 ASP 38 -14.388 36.684 4.327 1.00 34.32 ATOM 593 C ASP 38 -14.935 33.974 2.066 1.00 42.30 ATOM 594 O ASP 38 -15.181 34.908 1.302 1.00 62.32 ATOM 595 N LYS 39 -13.931 33.126 1.870 1.00 31.12 ATOM 596 HN LYS 39 -13.770 32.403 2.520 1.00 37.00 ATOM 597 CA LYS 39 -13.042 33.244 0.721 1.00 60.13 ATOM 598 HA LYS 39 -12.673 34.256 0.678 1.00 75.42 ATOM 599 CB LYS 39 -11.846 32.301 0.876 1.00 54.33 ATOM 600 HB1 LYS 39 -12.205 31.288 0.990 1.00 37.00 ATOM 601 HB2 LYS 39 -11.308 32.590 1.767 1.00 42.44 ATOM 602 CG LYS 39 -10.882 32.344 -0.297 1.00 1.32 ATOM 603 HG1 LYS 39 -10.657 33.372 -0.541 1.00 37.00 ATOM 604 HG2 LYS 39 -11.360 31.867 -1.133 1.00 40.13 ATOM 605 CD LYS 39 -9.599 31.589 0.008 1.00 0.44 ATOM 606 HD1 LYS 39 -9.259 31.112 -0.900 1.00 37.00 ATOM 607 HD2 LYS 39 -9.781 30.831 0.760 1.00 42.01 ATOM 608 CE LYS 39 -8.505 32.525 0.501 1.00 73.15 ATOM 609 HE1 LYS 39 -8.934 33.263 1.168 1.00 37.00 ATOM 610 HE2 LYS 39 -8.066 33.024 -0.350 1.00 12.43 ATOM 611 NZ LYS 39 -7.436 31.791 1.232 1.00 44.40 ATOM 612 HZ1 LYS 39 -6.705 32.458 1.554 1.00 10.02 ATOM 613 HZ2 LYS 39 -6.991 31.085 0.610 1.00 2.23 ATOM 614 HZ3 LYS 39 -7.834 31.305 2.063 1.00 62.12 ATOM 615 C LYS 39 -13.784 32.932 -0.575 1.00 42.22 ATOM 616 O LYS 39 -13.397 33.394 -1.649 1.00 62.01 ATOM 617 N ILE 40 -14.851 32.148 -0.467 1.00 10.13 ATOM 618 HN ILE 40 -15.109 31.798 0.407 1.00 37.00 ATOM 619 CA ILE 40 -15.648 31.778 -1.630 1.00 24.22 ATOM 620 HA ILE 40 -14.980 31.376 -2.385 1.00 25.30 ATOM 621 CB ILE 40 -16.686 30.696 -1.280 1.00 30.34 ATOM 622 HB ILE 40 -17.357 31.092 -0.536 1.00 63.43 ATOM 623 CG1 ILE 40 -15.991 29.453 -0.721 1.00 23.42 ATOM 624 HG11 ILE 40 -15.340 29.731 0.094 1.00 37.00 ATOM 625 HG12 ILE 40 -15.400 28.993 -1.499 1.00 75.20 ATOM 626 CG2 ILE 40 -17.514 30.340 -2.505 1.00 53.12 ATOM 627 HG21 ILE 40 -17.595 29.271 -2.631 1.00 1.43 ATOM 628 HG22 ILE 40 -17.083 30.759 -3.395 1.00 12.01 ATOM 629 HG23 ILE 40 -18.504 30.747 -2.374 1.00 24.12 ATOM 630 CD1 ILE 40 -16.950 28.411 -0.190 1.00 34.30 ATOM 631 HD11 ILE 40 -17.442 27.916 -1.007 1.00 20.00 ATOM 632 HD12 ILE 40 -17.694 28.884 0.437 1.00 72.45 ATOM 633 HD13 ILE 40 -16.405 27.685 0.394 1.00 13.23 ATOM 634 C ILE 40 -16.369 32.989 -2.211 1.00 3.44 ATOM 635 O ILE 40 -16.558 33.091 -3.423 1.00 20.32 ATOM 636 N VAL 41 -16.768 33.908 -1.337 1.00 51.41 ATOM 637 HN VAL 41 -16.611 33.773 -0.374 1.00 37.00 ATOM 638 CA VAL 41 -17.466 35.116 -1.763 1.00 21.31 ATOM 639 HA VAL 41 -17.900 34.947 -2.744 1.00 15.43 ATOM 640 CB VAL 41 -18.612 35.472 -0.797 1.00 63.21 ATOM 641 HB VAL 41 -18.189 35.710 0.170 1.00 52.40 ATOM 642 CG1 VAL 41 -19.372 36.691 -1.296 1.00 44.24 ATOM 643 HG11 VAL 41 -19.667 36.545 -2.327 1.00 34.24 ATOM 644 HG12 VAL 41 -18.750 37.569 -1.220 1.00 73.11 ATOM 645 HG13 VAL 41 -20.258 36.841 -0.692 1.00 2.11 ATOM 646 CG2 VAL 41 -19.548 34.286 -0.621 1.00 25.51 ATOM 647 HG21 VAL 41 -20.305 34.536 0.105 1.00 64.44 ATOM 648 HG22 VAL 41 -18.995 33.426 -0.270 1.00 15.20 ATOM 649 HG23 VAL 41 -20.018 34.053 -1.563 1.00 31.31 ATOM 650 C VAL 41 -16.509 36.299 -1.857 1.00 53.04 ATOM 651 O VAL 41 -16.748 37.245 -2.607 1.00 60.43 ATOM 652 N ASN 42 -15.425 36.239 -1.091 1.00 62.25 ATOM 653 HN ASN 42 -15.283 35.467 -0.500 1.00 37.00 ATOM 654 CA ASN 42 -14.431 37.306 -1.089 1.00 1.13 ATOM 655 HA ASN 42 -14.951 38.256 -1.024 1.00 70.33 ATOM 656 CB ASN 42 -13.497 37.158 0.114 1.00 64.01 ATOM 657 HB1 ASN 42 -12.533 37.598 -0.114 1.00 37.00 ATOM 658 HB2 ASN 42 -13.357 36.120 0.338 1.00 3.41 ATOM 659 CG ASN 42 -14.034 37.849 1.352 1.00 10.02 ATOM 660 OD1 ASN 42 -13.308 38.567 2.040 1.00 14.21 ATOM 661 ND2 ASN 42 -15.312 37.634 1.642 1.00 51.13 ATOM 662 HD21 ASN 42 -15.855 37.051 1.079 1.00 64.14 ATOM 663 HD22 ASN 42 -15.671 38.084 2.435 1.00 3.04 ATOM 664 C ASN 42 -13.620 37.298 -2.381 1.00 20.40 ATOM 665 O ASN 42 -13.417 38.339 -3.006 1.00 44.31 ATOM 666 N LEU 43 -13.160 36.116 -2.776 1.00 64.12 ATOM 667 HN LEU 43 -13.352 35.315 -2.232 1.00 37.00 ATOM 668 CA LEU 43 -12.371 35.971 -3.995 1.00 30.41 ATOM 669 HA LEU 43 -11.545 36.658 -3.918 1.00 73.44 ATOM 670 CB LEU 43 -11.848 34.539 -4.119 1.00 65.34 ATOM 671 HB1 LEU 43 -11.667 34.315 -5.163 1.00 37.00 ATOM 672 HB2 LEU 43 -12.626 33.873 -3.781 1.00 70.54 ATOM 673 CG LEU 43 -10.568 34.222 -3.345 1.00 3.31 ATOM 674 HG LEU 43 -10.712 34.485 -2.310 1.00 33.22 ATOM 675 CD1 LEU 43 -10.253 32.736 -3.418 1.00 51.21 ATOM 676 HD11 LEU 43 -9.443 32.507 -2.742 1.00 51.43 ATOM 677 HD12 LEU 43 -9.963 32.473 -4.427 1.00 42.35 ATOM 678 HD13 LEU 43 -11.124 32.161 -3.142 1.00 5.23 ATOM 679 CD2 LEU 43 -9.403 35.043 -3.881 1.00 34.24 ATOM 680 HD21 LEU 43 -8.520 34.836 -3.292 1.00 52.12 ATOM 681 HD22 LEU 43 -9.625 36.096 -3.817 1.00 31.43 ATOM 682 HD23 LEU 43 -9.210 34.776 -4.909 1.00 11.12 ATOM 683 C LEU 43 -13.198 36.331 -5.225 1.00 33.51 ATOM 684 O LEU 43 -14.429 36.319 -5.200 1.00 51.45 ATOM 685 N PRO 44 -12.508 36.656 -6.328 1.00 71.30 ATOM 686 CA PRO 44 -13.159 37.022 -7.589 1.00 43.25 ATOM 687 HA PRO 44 -13.874 37.820 -7.450 1.00 52.31 ATOM 688 CB PRO 44 -11.998 37.519 -8.456 1.00 35.51 ATOM 689 HB1 PRO 44 -11.912 38.591 -8.356 1.00 37.00 ATOM 690 HB2 PRO 44 -12.158 37.267 -9.498 1.00 31.31 ATOM 691 CG PRO 44 -10.795 36.834 -7.906 1.00 11.02 ATOM 692 HG1 PRO 44 -9.910 37.425 -8.090 1.00 37.00 ATOM 693 HG2 PRO 44 -10.716 35.884 -8.366 1.00 13.22 ATOM 694 CD PRO 44 -11.039 36.690 -6.429 1.00 54.01 ATOM 695 HD1 PRO 44 -10.633 37.535 -5.893 1.00 37.00 ATOM 696 HD2 PRO 44 -10.602 35.786 -6.090 1.00 11.23 ATOM 697 C PRO 44 -13.849 35.835 -8.252 1.00 65.24 ATOM 698 O PRO 44 -13.700 34.694 -7.814 1.00 73.11 ATOM 699 N VAL 45 -14.603 36.110 -9.312 1.00 1.24 ATOM 700 HN VAL 45 -14.687 37.046 -9.610 1.00 37.00 ATOM 701 CA VAL 45 -15.315 35.064 -10.036 1.00 44.12 ATOM 702 HA VAL 45 -15.858 34.464 -9.313 1.00 1.01 ATOM 703 CB VAL 45 -16.329 35.660 -11.030 1.00 41.42 ATOM 704 HB VAL 45 -16.961 36.355 -10.496 1.00 34.22 ATOM 705 CG1 VAL 45 -15.611 36.422 -12.133 1.00 42.55 ATOM 706 HG11 VAL 45 -15.070 35.739 -12.773 1.00 1.43 ATOM 707 HG12 VAL 45 -14.920 37.134 -11.705 1.00 64.13 ATOM 708 HG13 VAL 45 -16.341 36.955 -12.725 1.00 24.24 ATOM 709 CG2 VAL 45 -17.209 34.566 -11.613 1.00 75.53 ATOM 710 HG21 VAL 45 -17.663 33.996 -10.813 1.00 11.52 ATOM 711 HG22 VAL 45 -16.623 33.907 -12.237 1.00 32.40 ATOM 712 HG23 VAL 45 -17.988 35.017 -12.210 1.00 42.35 ATOM 713 C VAL 45 -14.345 34.164 -10.794 1.00 54.14 ATOM 714 O VAL 45 -14.653 33.008 -11.084 1.00 31.33 ATOM 715 N ASP 46 -13.173 34.702 -11.113 1.00 54.11 ATOM 716 HN ASP 46 -12.979 35.634 -10.865 1.00 37.00 ATOM 717 CA ASP 46 -12.157 33.947 -11.837 1.00 11.12 ATOM 718 HA ASP 46 -12.656 33.352 -12.593 1.00 24.25 ATOM 719 CB ASP 46 -11.162 34.899 -12.503 1.00 74.13 ATOM 720 HB1 ASP 46 -10.150 34.537 -12.365 1.00 37.00 ATOM 721 HB2 ASP 46 -11.238 35.882 -12.060 1.00 61.12 ATOM 722 CG ASP 46 -11.401 35.034 -13.994 1.00 44.14 ATOM 723 OD1 ASP 46 -11.355 36.174 -14.502 1.00 1.51 ATOM 724 OD2 ASP 46 -11.632 33.999 -14.654 1.00 42.50 ATOM 725 C ASP 46 -11.420 32.994 -10.902 1.00 25.23 ATOM 726 O ASP 46 -11.466 31.776 -11.077 1.00 53.24 ATOM 727 N ASP 47 -10.739 33.556 -9.909 1.00 62.11 ATOM 728 HN ASP 47 -10.737 34.534 -9.829 1.00 37.00 ATOM 729 CA ASP 47 -9.991 32.756 -8.946 1.00 1.11 ATOM 730 HA ASP 47 -9.171 32.285 -9.470 1.00 41.11 ATOM 731 CB ASP 47 -9.429 33.648 -7.837 1.00 60.35 ATOM 732 HB1 ASP 47 -8.911 33.033 -7.112 1.00 37.00 ATOM 733 HB2 ASP 47 -10.239 34.157 -7.348 1.00 44.43 ATOM 734 CG ASP 47 -8.448 34.677 -8.364 1.00 21.32 ATOM 735 OD1 ASP 47 -7.934 35.475 -7.553 1.00 25.43 ATOM 736 OD2 ASP 47 -8.195 34.685 -9.587 1.00 30.20 ATOM 737 C ASP 47 -10.873 31.668 -8.342 1.00 61.31 ATOM 738 O ASP 47 -10.423 30.544 -8.116 1.00 53.01 ATOM 739 N PHE 48 -12.131 32.009 -8.082 1.00 63.01 ATOM 740 HN PHE 48 -12.435 32.929 -8.269 1.00 37.00 ATOM 741 CA PHE 48 -13.076 31.062 -7.502 1.00 64.43 ATOM 742 HA PHE 48 -12.691 30.749 -6.541 1.00 22.20 ATOM 743 CB PHE 48 -14.437 31.729 -7.295 1.00 22.14 ATOM 744 HB1 PHE 48 -14.730 32.218 -8.215 1.00 37.00 ATOM 745 HB2 PHE 48 -14.345 32.474 -6.516 1.00 54.14 ATOM 746 CG PHE 48 -15.519 30.769 -6.890 1.00 53.34 ATOM 747 CD1 PHE 48 -16.603 30.537 -7.722 1.00 13.24 ATOM 748 HD1 PHE 48 -16.669 31.052 -8.671 1.00 62.42 ATOM 749 CD2 PHE 48 -15.453 30.099 -5.680 1.00 3.14 ATOM 750 HD2 PHE 48 -14.613 30.270 -5.020 1.00 73.43 ATOM 751 CE1 PHE 48 -17.601 29.655 -7.352 1.00 11.44 ATOM 752 HE1 PHE 48 -18.441 29.483 -8.009 1.00 24.35 ATOM 753 CE2 PHE 48 -16.447 29.216 -5.304 1.00 74.34 ATOM 754 HE2 PHE 48 -16.376 28.715 -4.362 1.00 54.51 ATOM 755 CZ PHE 48 -17.522 28.993 -6.142 1.00 75.12 ATOM 756 HZ PHE 48 -18.299 28.304 -5.851 1.00 21.32 ATOM 757 C PHE 48 -13.230 29.833 -8.394 1.00 23.34 ATOM 758 O PHE 48 -13.094 28.699 -7.935 1.00 1.31 ATOM 759 N ASN 49 -13.515 30.067 -9.670 1.00 40.24 ATOM 760 HN ASN 49 -13.616 31.000 -9.978 1.00 37.00 ATOM 761 CA ASN 49 -13.689 28.980 -10.627 1.00 31.13 ATOM 762 HA ASN 49 -14.570 28.421 -10.340 1.00 40.51 ATOM 763 CB ASN 49 -13.879 29.540 -12.038 1.00 34.21 ATOM 764 HB1 ASN 49 -13.732 28.751 -12.767 1.00 37.00 ATOM 765 HB2 ASN 49 -13.149 30.318 -12.210 1.00 55.43 ATOM 766 CG ASN 49 -15.266 30.116 -12.249 1.00 12.10 ATOM 767 OD1 ASN 49 -16.251 29.602 -11.719 1.00 13.43 ATOM 768 ND2 ASN 49 -15.349 31.189 -13.027 1.00 63.12 ATOM 769 HD21 ASN 49 -14.528 31.557 -13.425 1.00 61.23 ATOM 770 HD22 ASN 49 -16.237 31.576 -13.176 1.00 51.41 ATOM 771 C ASN 49 -12.492 28.035 -10.600 1.00 23.22 ATOM 772 O ASN 49 -12.634 26.832 -10.814 1.00 60.43 ATOM 773 N GLU 50 -11.313 28.589 -10.334 1.00 41.12 ATOM 774 HN GLU 50 -11.246 29.561 -10.192 1.00 37.00 ATOM 775 CA GLU 50 -10.091 27.795 -10.280 1.00 11.15 ATOM 776 HA GLU 50 -10.165 26.992 -11.007 1.00 34.54 ATOM 777 CB GLU 50 -8.878 28.661 -10.624 1.00 43.13 ATOM 778 HB1 GLU 50 -7.970 28.163 -10.299 1.00 37.00 ATOM 779 HB2 GLU 50 -8.963 29.600 -10.095 1.00 51.22 ATOM 780 CG GLU 50 -8.750 28.968 -12.107 1.00 74.21 ATOM 781 HG1 GLU 50 -8.082 29.809 -12.226 1.00 37.00 ATOM 782 HG2 GLU 50 -9.722 29.227 -12.505 1.00 1.03 ATOM 783 CD GLU 50 -8.196 27.799 -12.899 1.00 12.41 ATOM 784 OE1 GLU 50 -8.999 26.965 -13.367 1.00 22.14 ATOM 785 OE2 GLU 50 -6.959 27.720 -13.051 1.00 11.20 ATOM 786 C GLU 50 -9.909 27.172 -8.899 1.00 22.43 ATOM 787 O GLU 50 -9.252 26.140 -8.752 1.00 43.05 ATOM 788 N LEU 51 -10.494 27.805 -7.888 1.00 74.23 ATOM 789 HN LEU 51 -10.962 28.645 -8.049 1.00 37.00 ATOM 790 CA LEU 51 -10.397 27.314 -6.518 1.00 70.31 ATOM 791 HA LEU 51 -9.353 27.202 -6.272 1.00 41.01 ATOM 792 CB LEU 51 -11.016 28.322 -5.549 1.00 13.02 ATOM 793 HB1 LEU 51 -12.060 28.429 -5.808 1.00 37.00 ATOM 794 HB2 LEU 51 -10.535 29.279 -5.707 1.00 53.44 ATOM 795 CG LEU 51 -10.927 27.968 -4.064 1.00 23.00 ATOM 796 HG LEU 51 -11.223 26.942 -3.913 1.00 31.32 ATOM 797 CD1 LEU 51 -9.498 28.116 -3.565 1.00 64.33 ATOM 798 HD11 LEU 51 -9.449 27.844 -2.519 1.00 53.24 ATOM 799 HD12 LEU 51 -9.173 29.141 -3.684 1.00 23.12 ATOM 800 HD13 LEU 51 -8.847 27.465 -4.132 1.00 24.23 ATOM 801 CD2 LEU 51 -11.871 28.841 -3.250 1.00 24.33 ATOM 802 HD21 LEU 51 -12.885 28.702 -3.600 1.00 24.35 ATOM 803 HD22 LEU 51 -11.594 29.881 -3.359 1.00 42.30 ATOM 804 HD23 LEU 51 -11.814 28.563 -2.207 1.00 10.53 ATOM 805 C LEU 51 -11.088 25.962 -6.374 1.00 34.31 ATOM 806 O LEU 51 -10.740 25.164 -5.502 1.00 53.11 ATOM 807 N LEU 52 -12.068 25.709 -7.235 1.00 42.20 ATOM 808 HN LEU 52 -12.327 26.388 -7.899 1.00 37.00 ATOM 809 CA LEU 52 -12.807 24.452 -7.206 1.00 14.15 ATOM 810 HA LEU 52 -13.113 24.276 -6.192 1.00 13.04 ATOM 811 CB LEU 52 -14.053 24.549 -8.088 1.00 43.45 ATOM 812 HB1 LEU 52 -14.483 23.568 -8.179 1.00 37.00 ATOM 813 HB2 LEU 52 -13.729 24.866 -9.071 1.00 34.22 ATOM 814 CG LEU 52 -15.144 25.507 -7.607 1.00 63.50 ATOM 815 HG LEU 52 -14.699 26.466 -7.381 1.00 51.42 ATOM 816 CD1 LEU 52 -16.185 25.719 -8.695 1.00 10.43 ATOM 817 HD11 LEU 52 -15.708 26.117 -9.580 1.00 40.22 ATOM 818 HD12 LEU 52 -16.933 26.420 -8.350 1.00 72.12 ATOM 819 HD13 LEU 52 -16.660 24.778 -8.936 1.00 15.12 ATOM 820 CD2 LEU 52 -15.796 24.977 -6.338 1.00 43.11 ATOM 821 HD21 LEU 52 -16.120 23.956 -6.490 1.00 53.12 ATOM 822 HD22 LEU 52 -16.651 25.585 -6.097 1.00 62.54 ATOM 823 HD23 LEU 52 -15.085 25.011 -5.528 1.00 63.25 ATOM 824 C LEU 52 -11.930 23.293 -7.669 1.00 54.54 ATOM 825 O LEU 52 -11.950 22.213 -7.081 1.00 3.03 ATOM 826 N ALA 53 -11.161 23.527 -8.727 1.00 42.44 ATOM 827 HN ALA 53 -11.185 24.413 -9.161 1.00 37.00 ATOM 828 CA ALA 53 -10.273 22.505 -9.268 1.00 34.15 ATOM 829 HA ALA 53 -10.748 21.536 -9.157 1.00 5.15 ATOM 830 CB ALA 53 -10.044 22.737 -10.754 1.00 23.14 ATOM 831 HB1 ALA 53 -9.546 23.685 -10.902 1.00 72.24 ATOM 832 HB2 ALA 53 -10.996 22.750 -11.264 1.00 52.32 ATOM 833 HB3 ALA 53 -9.433 21.941 -11.157 1.00 44.53 ATOM 834 C ALA 53 -8.943 22.483 -8.522 1.00 34.52 ATOM 835 O ALA 53 -8.249 21.466 -8.502 1.00 34.14 ATOM 836 N ARG 54 -8.594 23.610 -7.911 1.00 20.22 ATOM 837 HN ARG 54 -9.179 24.399 -7.973 1.00 37.00 ATOM 838 CA ARG 54 -7.346 23.720 -7.165 1.00 62.55 ATOM 839 HA ARG 54 -6.537 23.438 -7.828 1.00 43.33 ATOM 840 CB ARG 54 -7.140 25.156 -6.683 1.00 1.53 ATOM 841 HB1 ARG 54 -6.845 25.136 -5.640 1.00 37.00 ATOM 842 HB2 ARG 54 -8.063 25.698 -6.758 1.00 63.31 ATOM 843 CG ARG 54 -6.079 25.915 -7.464 1.00 14.35 ATOM 844 HG1 ARG 54 -6.554 26.408 -8.300 1.00 37.00 ATOM 845 HG2 ARG 54 -5.331 25.224 -7.835 1.00 43.24 ATOM 846 CD ARG 54 -5.398 26.967 -6.601 1.00 75.33 ATOM 847 HD1 ARG 54 -5.865 27.010 -5.625 1.00 37.00 ATOM 848 HD2 ARG 54 -5.512 27.931 -7.077 1.00 30.22 ATOM 849 NE ARG 54 -3.976 26.688 -6.420 1.00 13.41 ATOM 850 HE ARG 54 -3.688 26.372 -5.536 1.00 71.14 ATOM 851 CZ ARG 54 -3.070 26.839 -7.379 1.00 62.32 ATOM 852 NH1 ARG 54 -3.436 27.263 -8.581 1.00 24.20 ATOM 853 HH11 ARG 54 -4.383 27.480 -8.797 1.00 21.31 ATOM 854 HH12 ARG 54 -2.742 27.370 -9.297 1.00 41.22 ATOM 855 NH2 ARG 54 -1.794 26.565 -7.137 1.00 72.01 ATOM 856 HH21 ARG 54 -1.511 26.244 -6.231 1.00 43.33 ATOM 857 HH22 ARG 54 -1.108 26.678 -7.859 1.00 0.25 ATOM 858 C ARG 54 -7.338 22.765 -5.975 1.00 1.43 ATOM 859 O ARG 54 -6.311 22.166 -5.653 1.00 55.12 ATOM 860 N TYR 55 -8.488 22.630 -5.324 1.00 51.22 ATOM 861 HN TYR 55 -9.283 23.132 -5.619 1.00 37.00 ATOM 862 CA TYR 55 -8.613 21.752 -4.167 1.00 71.43 ATOM 863 HA TYR 55 -7.617 21.509 -3.816 1.00 45.21 ATOM 864 CB TYR 55 -9.368 22.460 -3.042 1.00 10.45 ATOM 865 HB1 TYR 55 -9.738 21.735 -2.328 1.00 37.00 ATOM 866 HB2 TYR 55 -10.217 22.980 -3.468 1.00 55.54 ATOM 867 CG TYR 55 -8.530 23.474 -2.295 1.00 53.35 ATOM 868 CD1 TYR 55 -7.974 23.170 -1.059 1.00 44.34 ATOM 869 HD1 TYR 55 -8.145 22.193 -0.628 1.00 51.22 ATOM 870 CD2 TYR 55 -8.295 24.736 -2.828 1.00 2.15 ATOM 871 HD2 TYR 55 -8.720 24.992 -3.789 1.00 43.34 ATOM 872 CE1 TYR 55 -7.208 24.094 -0.374 1.00 74.11 ATOM 873 HE1 TYR 55 -6.784 23.838 0.586 1.00 25.00 ATOM 874 CE2 TYR 55 -7.530 25.666 -2.150 1.00 24.40 ATOM 875 HE2 TYR 55 -7.359 26.641 -2.581 1.00 23.54 ATOM 876 CZ TYR 55 -6.989 25.340 -0.924 1.00 30.15 ATOM 877 OH TYR 55 -6.226 26.262 -0.245 1.00 11.24 ATOM 878 HH TYR 55 -5.298 26.011 -0.285 1.00 74.04 ATOM 879 C TYR 55 -9.331 20.458 -4.541 1.00 11.25 ATOM 880 O TYR 55 -10.075 20.391 -5.520 1.00 24.25 ATOM 881 N PRO 56 -9.105 19.405 -3.741 1.00 45.22 ATOM 882 CA PRO 56 -9.721 18.094 -3.965 1.00 44.14 ATOM 883 HA PRO 56 -9.543 17.738 -4.970 1.00 43.25 ATOM 884 CB PRO 56 -9.000 17.188 -2.964 1.00 60.33 ATOM 885 HB1 PRO 56 -8.157 16.724 -3.454 1.00 37.00 ATOM 886 HB2 PRO 56 -9.658 16.417 -2.583 1.00 64.42 ATOM 887 CG PRO 56 -8.542 18.105 -1.884 1.00 2.41 ATOM 888 HG1 PRO 56 -7.656 17.705 -1.414 1.00 37.00 ATOM 889 HG2 PRO 56 -9.328 18.236 -1.155 1.00 54.14 ATOM 890 CD PRO 56 -8.230 19.414 -2.556 1.00 61.35 ATOM 891 HD1 PRO 56 -7.190 19.449 -2.845 1.00 37.00 ATOM 892 HD2 PRO 56 -8.462 20.225 -1.892 1.00 5.13 ATOM 893 C PRO 56 -11.221 18.104 -3.691 1.00 64.12 ATOM 894 O PRO 56 -11.672 17.655 -2.637 1.00 34.21 ATOM 895 N LEU 57 -11.988 18.618 -4.646 1.00 33.23 ATOM 896 HN LEU 57 -11.576 18.958 -5.474 1.00 37.00 ATOM 897 CA LEU 57 -13.439 18.685 -4.507 1.00 50.52 ATOM 898 HA LEU 57 -13.711 18.382 -3.511 1.00 1.44 ATOM 899 CB LEU 57 -13.925 20.120 -4.720 1.00 0.33 ATOM 900 HB1 LEU 57 -14.978 20.161 -4.478 1.00 37.00 ATOM 901 HB2 LEU 57 -13.797 20.364 -5.764 1.00 55.30 ATOM 902 CG LEU 57 -13.199 21.201 -3.918 1.00 23.34 ATOM 903 HG LEU 57 -12.164 21.235 -4.228 1.00 52.24 ATOM 904 CD1 LEU 57 -13.813 22.566 -4.183 1.00 51.30 ATOM 905 HD11 LEU 57 -14.819 22.582 -3.807 1.00 73.41 ATOM 906 HD12 LEU 57 -13.834 22.746 -5.244 1.00 3.15 ATOM 907 HD13 LEU 57 -13.233 23.331 -3.702 1.00 22.14 ATOM 908 CD2 LEU 57 -13.236 20.877 -2.431 1.00 61.11 ATOM 909 HD21 LEU 57 -12.718 19.948 -2.245 1.00 1.22 ATOM 910 HD22 LEU 57 -14.262 20.788 -2.102 1.00 50.22 ATOM 911 HD23 LEU 57 -12.751 21.669 -1.875 1.00 12.44 ATOM 912 C LEU 57 -14.125 17.752 -5.500 1.00 21.04 ATOM 913 O LEU 57 -13.748 17.686 -6.670 1.00 50.42 ATOM 914 N THR 58 -15.136 17.032 -5.025 1.00 34.43 ATOM 915 HN THR 58 -15.382 17.104 -4.076 1.00 37.00 ATOM 916 CA THR 58 -15.876 16.103 -5.870 1.00 31.33 ATOM 917 HA THR 58 -15.274 15.852 -6.739 1.00 41.14 ATOM 918 CB THR 58 -16.198 14.796 -5.120 1.00 54.21 ATOM 919 HB THR 58 -16.918 14.218 -5.686 1.00 74.32 ATOM 920 OG1 THR 58 -16.754 15.093 -3.834 1.00 43.41 ATOM 921 HG1 THR 58 -17.290 14.354 -3.534 1.00 72.33 ATOM 922 CG2 THR 58 -14.948 13.945 -4.954 1.00 15.11 ATOM 923 HG21 THR 58 -14.208 14.494 -4.389 1.00 2.03 ATOM 924 HG22 THR 58 -14.547 13.695 -5.926 1.00 33.13 ATOM 925 HG23 THR 58 -15.200 13.037 -4.426 1.00 12.12 ATOM 926 C THR 58 -17.177 16.725 -6.364 1.00 45.54 ATOM 927 O THR 58 -17.526 17.841 -5.981 1.00 2.14 ATOM 928 N GLU 59 -17.889 15.997 -7.218 1.00 34.34 ATOM 929 HN GLU 59 -17.548 15.117 -7.506 1.00 37.00 ATOM 930 CA GLU 59 -19.152 16.480 -7.764 1.00 60.43 ATOM 931 HA GLU 59 -18.946 17.371 -8.344 1.00 4.15 ATOM 932 CB GLU 59 -19.781 15.418 -8.668 1.00 72.54 ATOM 933 HB1 GLU 59 -20.861 15.529 -8.651 1.00 37.00 ATOM 934 HB2 GLU 59 -19.529 14.436 -8.290 1.00 72.14 ATOM 935 CG GLU 59 -19.321 15.499 -10.114 1.00 62.51 ATOM 936 HG1 GLU 59 -18.350 15.031 -10.195 1.00 37.00 ATOM 937 HG2 GLU 59 -19.244 16.538 -10.407 1.00 62.21 ATOM 938 CD GLU 59 -20.275 14.808 -11.070 1.00 4.33 ATOM 939 OE1 GLU 59 -19.881 13.784 -11.666 1.00 5.32 ATOM 940 OE2 GLU 59 -21.416 15.293 -11.221 1.00 22.20 ATOM 941 C GLU 59 -20.122 16.851 -6.647 1.00 11.34 ATOM 942 O GLU 59 -21.011 17.683 -6.832 1.00 64.23 ATOM 943 N SER 60 -19.945 16.228 -5.486 1.00 0.52 ATOM 944 HN SER 60 -19.253 15.537 -5.395 1.00 37.00 ATOM 945 CA SER 60 -20.807 16.490 -4.339 1.00 24.22 ATOM 946 HA SER 60 -21.817 16.658 -4.696 1.00 14.44 ATOM 947 CB SER 60 -20.819 15.283 -3.398 1.00 52.31 ATOM 948 HB1 SER 60 -21.286 15.552 -2.458 1.00 37.00 ATOM 949 HB2 SER 60 -19.805 14.961 -3.215 1.00 0.44 ATOM 950 OG SER 60 -21.543 14.204 -3.963 1.00 21.21 ATOM 951 HG SER 60 -21.395 13.411 -3.442 1.00 22.25 ATOM 952 C SER 60 -20.344 17.733 -3.584 1.00 74.41 ATOM 953 O SER 60 -21.153 18.451 -2.997 1.00 20.33 ATOM 954 N GLN 61 -19.038 17.979 -3.605 1.00 75.44 ATOM 955 HN GLN 61 -18.432 17.363 -4.070 1.00 37.00 ATOM 956 CA GLN 61 -18.468 19.134 -2.923 1.00 20.23 ATOM 957 HA GLN 61 -18.993 19.277 -1.988 1.00 23.12 ATOM 958 CB GLN 61 -16.987 18.895 -2.622 1.00 34.14 ATOM 959 HB1 GLN 61 -16.565 19.809 -2.218 1.00 37.00 ATOM 960 HB2 GLN 61 -16.485 18.661 -3.542 1.00 4.32 ATOM 961 CG GLN 61 -16.742 17.769 -1.630 1.00 12.43 ATOM 962 HG1 GLN 61 -16.620 16.852 -2.181 1.00 37.00 ATOM 963 HG2 GLN 61 -17.590 17.673 -0.975 1.00 3.11 ATOM 964 CD GLN 61 -15.497 17.989 -0.794 1.00 3.12 ATOM 965 OE1 GLN 61 -14.406 18.193 -1.327 1.00 5.14 ATOM 966 NE2 GLN 61 -15.653 17.949 0.524 1.00 33.22 ATOM 967 HE21 GLN 61 -16.547 17.782 0.899 1.00 11.22 ATOM 968 HE22 GLN 61 -14.858 18.089 1.080 1.00 31.44 ATOM 969 C GLN 61 -18.631 20.397 -3.761 1.00 51.15 ATOM 970 O GLN 61 -19.147 21.409 -3.285 1.00 5.21 ATOM 971 N LEU 62 -18.189 20.332 -5.012 1.00 64.23 ATOM 972 HN LEU 62 -17.790 19.493 -5.336 1.00 37.00 ATOM 973 CA LEU 62 -18.285 21.471 -5.918 1.00 72.05 ATOM 974 HA LEU 62 -17.640 22.253 -5.540 1.00 32.22 ATOM 975 CB LEU 62 -17.824 21.072 -7.321 1.00 40.34 ATOM 976 HB1 LEU 62 -18.270 21.767 -8.026 1.00 37.00 ATOM 977 HB2 LEU 62 -18.223 20.088 -7.540 1.00 15.22 ATOM 978 CG LEU 62 -16.313 21.066 -7.555 1.00 22.34 ATOM 979 HG LEU 62 -15.830 21.715 -6.836 1.00 34.41 ATOM 980 CD1 LEU 62 -15.750 19.666 -7.365 1.00 63.32 ATOM 981 HD11 LEU 62 -14.693 19.668 -7.587 1.00 54.34 ATOM 982 HD12 LEU 62 -16.255 18.973 -8.024 1.00 72.20 ATOM 983 HD13 LEU 62 -15.903 19.373 -6.350 1.00 25.23 ATOM 984 CD2 LEU 62 -15.985 21.591 -8.945 1.00 34.41 ATOM 985 HD21 LEU 62 -16.442 20.957 -9.692 1.00 21.23 ATOM 986 HD22 LEU 62 -14.913 21.597 -9.088 1.00 40.43 ATOM 987 HD23 LEU 62 -16.363 22.598 -9.050 1.00 74.31 ATOM 988 C LEU 62 -19.713 22.004 -5.973 1.00 12.34 ATOM 989 O LEU 62 -19.932 23.211 -6.079 1.00 32.42 ATOM 990 N ALA 63 -20.681 21.097 -5.897 1.00 14.14 ATOM 991 HN ALA 63 -20.450 20.141 -5.833 1.00 37.00 ATOM 992 CA ALA 63 -22.088 21.476 -5.933 1.00 13.54 ATOM 993 HA ALA 63 -22.272 22.007 -6.858 1.00 13.44 ATOM 994 CB ALA 63 -22.970 20.236 -5.922 1.00 2.41 ATOM 995 HB1 ALA 63 -24.008 20.526 -6.007 1.00 15.20 ATOM 996 HB2 ALA 63 -22.822 19.692 -4.999 1.00 1.53 ATOM 997 HB3 ALA 63 -22.706 19.603 -6.756 1.00 30.03 ATOM 998 C ALA 63 -22.441 22.389 -4.763 1.00 20.44 ATOM 999 O ALA 63 -23.315 23.250 -4.875 1.00 24.33 ATOM 1000 N LEU 64 -21.757 22.194 -3.640 1.00 54.42 ATOM 1001 HN LEU 64 -21.082 21.484 -3.596 1.00 37.00 ATOM 1002 CA LEU 64 -21.999 23.000 -2.448 1.00 71.31 ATOM 1003 HA LEU 64 -23.056 23.234 -2.396 1.00 42.41 ATOM 1004 CB LEU 64 -21.615 22.215 -1.192 1.00 43.43 ATOM 1005 HB1 LEU 64 -20.586 21.909 -1.318 1.00 37.00 ATOM 1006 HB2 LEU 64 -22.223 21.317 -1.165 1.00 72.54 ATOM 1007 CG LEU 64 -21.759 22.961 0.135 1.00 33.20 ATOM 1008 HG LEU 64 -21.712 24.028 -0.023 1.00 65.04 ATOM 1009 CD1 LEU 64 -23.108 22.662 0.771 1.00 70.31 ATOM 1010 HD11 LEU 64 -23.089 21.701 1.269 1.00 40.44 ATOM 1011 HD12 LEU 64 -23.881 22.653 0.011 1.00 74.13 ATOM 1012 HD13 LEU 64 -23.333 23.433 1.480 1.00 34.04 ATOM 1013 CD2 LEU 64 -20.627 22.589 1.081 1.00 12.05 ATOM 1014 HD21 LEU 64 -19.841 22.055 0.565 1.00 53.44 ATOM 1015 HD22 LEU 64 -20.996 21.977 1.888 1.00 32.33 ATOM 1016 HD23 LEU 64 -20.212 23.495 1.498 1.00 43.12 ATOM 1017 C LEU 64 -21.214 24.306 -2.505 1.00 55.54 ATOM 1018 O LEU 64 -21.761 25.382 -2.261 1.00 3.25 ATOM 1019 N VAL 65 -19.930 24.206 -2.833 1.00 30.33 ATOM 1020 HN VAL 65 -19.560 23.318 -3.034 1.00 37.00 ATOM 1021 CA VAL 65 -19.070 25.380 -2.926 1.00 35.31 ATOM 1022 HA VAL 65 -18.954 25.791 -1.934 1.00 50.33 ATOM 1023 CB VAL 65 -17.675 25.013 -3.466 1.00 34.52 ATOM 1024 HB VAL 65 -17.790 24.586 -4.453 1.00 44.41 ATOM 1025 CG1 VAL 65 -16.804 26.254 -3.583 1.00 33.11 ATOM 1026 HG11 VAL 65 -16.869 26.841 -2.682 1.00 44.32 ATOM 1027 HG12 VAL 65 -17.142 26.835 -4.416 1.00 13.41 ATOM 1028 HG13 VAL 65 -15.774 25.970 -3.748 1.00 34.01 ATOM 1029 CG2 VAL 65 -17.017 23.971 -2.574 1.00 23.00 ATOM 1030 HG21 VAL 65 -17.586 23.061 -2.588 1.00 24.14 ATOM 1031 HG22 VAL 65 -16.962 24.342 -1.561 1.00 2.51 ATOM 1032 HG23 VAL 65 -16.025 23.772 -2.928 1.00 43.13 ATOM 1033 C VAL 65 -19.688 26.443 -3.827 1.00 13.11 ATOM 1034 O VAL 65 -19.476 27.639 -3.628 1.00 12.30 ATOM 1035 N ARG 66 -20.454 25.999 -4.818 1.00 71.20 ATOM 1036 HN ARG 66 -20.562 25.031 -4.961 1.00 37.00 ATOM 1037 CA ARG 66 -21.103 26.912 -5.751 1.00 2.43 ATOM 1038 HA ARG 66 -20.391 27.681 -6.030 1.00 31.34 ATOM 1039 CB ARG 66 -21.546 26.162 -7.008 1.00 34.22 ATOM 1040 HB1 ARG 66 -22.349 26.715 -7.486 1.00 37.00 ATOM 1041 HB2 ARG 66 -21.917 25.187 -6.725 1.00 32.34 ATOM 1042 CG ARG 66 -20.435 25.969 -8.026 1.00 64.11 ATOM 1043 HG1 ARG 66 -19.773 25.190 -7.678 1.00 37.00 ATOM 1044 HG2 ARG 66 -19.882 26.893 -8.134 1.00 51.43 ATOM 1045 CD ARG 66 -20.988 25.574 -9.387 1.00 3.34 ATOM 1046 HD1 ARG 66 -20.170 25.587 -10.094 1.00 37.00 ATOM 1047 HD2 ARG 66 -21.736 26.294 -9.692 1.00 54.14 ATOM 1048 NE ARG 66 -21.585 24.242 -9.369 1.00 34.11 ATOM 1049 HE ARG 66 -21.745 23.820 -8.493 1.00 25.41 ATOM 1050 CZ ARG 66 -21.926 23.575 -10.466 1.00 22.52 ATOM 1051 NH1 ARG 66 -21.728 24.113 -11.661 1.00 62.54 ATOM 1052 HH11 ARG 66 -21.326 25.020 -11.765 1.00 21.50 ATOM 1053 HH12 ARG 66 -21.986 23.600 -12.483 1.00 1.31 ATOM 1054 NH2 ARG 66 -22.465 22.366 -10.368 1.00 61.02 ATOM 1055 HH21 ARG 66 -22.616 21.953 -9.467 1.00 14.14 ATOM 1056 HH22 ARG 66 -22.723 21.861 -11.194 1.00 62.31 ATOM 1057 C ARG 66 -22.305 27.591 -5.100 1.00 4.11 ATOM 1058 O ARG 66 -22.526 28.789 -5.279 1.00 72.33 ATOM 1059 N ASP 67 -23.077 26.818 -4.345 1.00 22.33 ATOM 1060 HN ASP 67 -22.857 25.861 -4.245 1.00 37.00 ATOM 1061 CA ASP 67 -24.256 27.344 -3.667 1.00 22.24 ATOM 1062 HA ASP 67 -24.881 27.822 -4.413 1.00 74.12 ATOM 1063 CB ASP 67 -25.040 26.209 -3.006 1.00 63.53 ATOM 1064 HB1 ASP 67 -24.606 25.969 -2.043 1.00 37.00 ATOM 1065 HB2 ASP 67 -24.992 25.332 -3.638 1.00 14.42 ATOM 1066 CG ASP 67 -26.501 26.557 -2.800 1.00 43.05 ATOM 1067 OD1 ASP 67 -27.350 26.015 -3.538 1.00 71.44 ATOM 1068 OD2 ASP 67 -26.795 27.372 -1.901 1.00 61.50 ATOM 1069 C ASP 67 -23.863 28.383 -2.621 1.00 21.31 ATOM 1070 O ASP 67 -24.505 29.426 -2.497 1.00 2.21 ATOM 1071 N ILE 68 -22.806 28.089 -1.871 1.00 11.32 ATOM 1072 HN ILE 68 -22.323 27.247 -2.033 1.00 37.00 ATOM 1073 CA ILE 68 -22.328 28.998 -0.836 1.00 73.01 ATOM 1074 HA ILE 68 -23.101 29.082 -0.082 1.00 3.32 ATOM 1075 CB ILE 68 -21.049 28.465 -0.165 1.00 63.54 ATOM 1076 HB ILE 68 -20.281 28.381 -0.923 1.00 24.54 ATOM 1077 CG1 ILE 68 -21.305 27.087 0.449 1.00 60.34 ATOM 1078 HG11 ILE 68 -21.893 26.479 -0.212 1.00 37.00 ATOM 1079 HG12 ILE 68 -21.848 27.202 1.377 1.00 52.24 ATOM 1080 CG2 ILE 68 -20.560 29.440 0.895 1.00 51.33 ATOM 1081 HG21 ILE 68 -20.200 30.343 0.428 1.00 3.14 ATOM 1082 HG22 ILE 68 -19.750 28.994 1.457 1.00 63.02 ATOM 1083 HG23 ILE 68 -21.368 29.683 1.572 1.00 75.30 ATOM 1084 CD1 ILE 68 -20.039 26.318 0.758 1.00 53.20 ATOM 1085 HD11 ILE 68 -19.864 25.594 -0.021 1.00 74.41 ATOM 1086 HD12 ILE 68 -20.158 25.803 1.700 1.00 15.42 ATOM 1087 HD13 ILE 68 -19.191 26.987 0.824 1.00 32.13 ATOM 1088 C ILE 68 -22.049 30.384 -1.408 1.00 34.13 ATOM 1089 O ILE 68 -22.291 31.397 -0.752 1.00 11.24 ATOM 1090 N ARG 69 -21.541 30.420 -2.635 1.00 2.50 ATOM 1091 HN ARG 69 -21.361 29.578 -3.115 1.00 37.00 ATOM 1092 CA ARG 69 -21.230 31.682 -3.296 1.00 4.22 ATOM 1093 HA ARG 69 -20.741 32.326 -2.577 1.00 44.21 ATOM 1094 CB ARG 69 -20.283 31.446 -4.474 1.00 24.53 ATOM 1095 HB1 ARG 69 -20.845 31.026 -5.300 1.00 37.00 ATOM 1096 HB2 ARG 69 -19.531 30.736 -4.184 1.00 71.22 ATOM 1097 CG ARG 69 -19.593 32.708 -4.964 1.00 5.14 ATOM 1098 HG1 ARG 69 -19.021 33.132 -4.152 1.00 37.00 ATOM 1099 HG2 ARG 69 -20.344 33.415 -5.285 1.00 25.12 ATOM 1100 CD ARG 69 -18.659 32.417 -6.128 1.00 24.53 ATOM 1101 HD1 ARG 69 -19.142 31.740 -6.818 1.00 37.00 ATOM 1102 HD2 ARG 69 -17.771 31.949 -5.733 1.00 15.23 ATOM 1103 NE ARG 69 -18.268 33.634 -6.834 1.00 71.43 ATOM 1104 HE ARG 69 -17.386 34.013 -6.624 1.00 30.14 ATOM 1105 CZ ARG 69 -19.036 34.241 -7.732 1.00 72.42 ATOM 1106 NH1 ARG 69 -20.230 33.746 -8.031 1.00 44.40 ATOM 1107 HH11 ARG 69 -20.580 32.921 -7.595 1.00 50.23 ATOM 1108 HH12 ARG 69 -20.799 34.210 -8.713 1.00 5.14 ATOM 1109 NH2 ARG 69 -18.611 35.345 -8.333 1.00 21.32 ATOM 1110 HH21 ARG 69 -17.711 35.725 -8.111 1.00 1.31 ATOM 1111 HH22 ARG 69 -19.186 35.800 -9.016 1.00 74.43 ATOM 1112 C ARG 69 -22.502 32.369 -3.782 1.00 50.54 ATOM 1113 O ARG 69 -22.666 33.579 -3.622 1.00 35.15 ATOM 1114 N ARG 70 -23.399 31.590 -4.378 1.00 45.03 ATOM 1115 HN ARG 70 -23.208 30.628 -4.490 1.00 37.00 ATOM 1116 CA ARG 70 -24.655 32.124 -4.890 1.00 31.31 ATOM 1117 HA ARG 70 -24.424 32.840 -5.666 1.00 51.11 ATOM 1118 CB ARG 70 -25.504 31.001 -5.490 1.00 1.32 ATOM 1119 HB1 ARG 70 -25.731 30.284 -4.712 1.00 37.00 ATOM 1120 HB2 ARG 70 -24.929 30.501 -6.258 1.00 74.13 ATOM 1121 CG ARG 70 -26.817 31.482 -6.085 1.00 11.41 ATOM 1122 HG1 ARG 70 -27.250 32.260 -5.475 1.00 37.00 ATOM 1123 HG2 ARG 70 -27.501 30.646 -6.120 1.00 65.51 ATOM 1124 CD ARG 70 -26.627 32.014 -7.497 1.00 11.42 ATOM 1125 HD1 ARG 70 -25.676 32.526 -7.572 1.00 37.00 ATOM 1126 HD2 ARG 70 -27.423 32.717 -7.697 1.00 21.13 ATOM 1127 NE ARG 70 -26.677 30.949 -8.494 1.00 52.15 ATOM 1128 HE ARG 70 -26.689 30.017 -8.174 1.00 21.40 ATOM 1129 CZ ARG 70 -26.704 31.169 -9.804 1.00 41.42 ATOM 1130 NH1 ARG 70 -26.685 32.410 -10.272 1.00 21.04 ATOM 1131 HH11 ARG 70 -26.649 33.197 -9.659 1.00 62.11 ATOM 1132 HH12 ARG 70 -26.707 32.566 -11.262 1.00 41.23 ATOM 1133 NH2 ARG 70 -26.749 30.147 -10.649 1.00 51.53 ATOM 1134 HH21 ARG 70 -26.763 29.207 -10.302 1.00 32.23 ATOM 1135 HH22 ARG 70 -26.770 30.311 -11.638 1.00 13.24 ATOM 1136 C ARG 70 -25.435 32.831 -3.786 1.00 10.24 ATOM 1137 O ARG 70 -25.901 33.956 -3.964 1.00 52.55 ATOM 1138 N ARG 71 -25.573 32.163 -2.645 1.00 10.52 ATOM 1139 HN ARG 71 -25.174 31.264 -2.559 1.00 37.00 ATOM 1140 CA ARG 71 -26.298 32.727 -1.512 1.00 42.34 ATOM 1141 HA ARG 71 -27.243 33.106 -1.874 1.00 42.13 ATOM 1142 CB ARG 71 -26.548 31.652 -0.453 1.00 45.31 ATOM 1143 HB1 ARG 71 -26.721 32.120 0.510 1.00 37.00 ATOM 1144 HB2 ARG 71 -25.668 31.028 -0.376 1.00 53.13 ATOM 1145 CG ARG 71 -27.733 30.753 -0.765 1.00 44.23 ATOM 1146 HG1 ARG 71 -27.713 29.907 -0.093 1.00 37.00 ATOM 1147 HG2 ARG 71 -27.659 30.403 -1.785 1.00 11.40 ATOM 1148 CD ARG 71 -29.052 31.489 -0.589 1.00 43.02 ATOM 1149 HD1 ARG 71 -29.830 30.869 -1.012 1.00 37.00 ATOM 1150 HD2 ARG 71 -29.023 32.429 -1.117 1.00 60.41 ATOM 1151 NE ARG 71 -29.355 31.740 0.817 1.00 1.02 ATOM 1152 HE ARG 71 -28.624 31.645 1.471 1.00 32.03 ATOM 1153 CZ ARG 71 -30.558 32.091 1.258 1.00 4.24 ATOM 1154 NH1 ARG 71 -31.565 32.232 0.407 1.00 24.44 ATOM 1155 HH11 ARG 71 -31.447 32.084 -0.572 1.00 0.32 ATOM 1156 HH12 ARG 71 -32.469 32.494 0.751 1.00 24.04 ATOM 1157 NH2 ARG 71 -30.755 32.302 2.553 1.00 10.25 ATOM 1158 HH21 ARG 71 -29.998 32.197 3.201 1.00 13.10 ATOM 1159 HH22 ARG 71 -31.661 32.567 2.888 1.00 33.45 ATOM 1160 C ARG 71 -25.526 33.892 -0.899 1.00 34.04 ATOM 1161 O ARG 71 -26.103 34.928 -0.570 1.00 73.32 ATOM 1162 N GLY 72 -24.218 33.714 -0.746 1.00 65.34 ATOM 1163 HN GLY 72 -23.798 32.865 -1.011 1.00 37.00 ATOM 1164 CA GLY 72 -23.389 34.757 -0.172 1.00 4.21 ATOM 1165 HA1 GLY 72 -22.386 34.380 -0.072 1.00 37.00 ATOM 1166 HA2 GLY 72 -23.764 35.012 0.811 1.00 42.10 ATOM 1167 C GLY 72 -23.357 36.009 -1.026 1.00 71.13 ATOM 1168 O GLY 72 -23.155 37.112 -0.518 1.00 60.02 ATOM 1169 N LYS 73 -23.556 35.839 -2.329 1.00 43.20 ATOM 1170 HN LYS 73 -23.707 34.936 -2.691 1.00 37.00 ATOM 1171 CA LYS 73 -23.549 36.964 -3.257 1.00 60.54 ATOM 1172 HA LYS 73 -22.931 37.756 -2.846 1.00 73.02 ATOM 1173 CB LYS 73 -22.970 36.534 -4.607 1.00 61.41 ATOM 1174 HB1 LYS 73 -23.382 37.172 -5.384 1.00 37.00 ATOM 1175 HB2 LYS 73 -23.260 35.517 -4.814 1.00 62.33 ATOM 1176 CG LYS 73 -21.456 36.627 -4.677 1.00 4.21 ATOM 1177 HG1 LYS 73 -21.040 35.724 -4.253 1.00 37.00 ATOM 1178 HG2 LYS 73 -21.117 37.478 -4.096 1.00 52.00 ATOM 1179 CD LYS 73 -20.970 36.757 -6.111 1.00 33.30 ATOM 1180 HD1 LYS 73 -21.749 36.462 -6.804 1.00 37.00 ATOM 1181 HD2 LYS 73 -20.121 36.112 -6.234 1.00 54.31 ATOM 1182 CE LYS 73 -20.535 38.180 -6.426 1.00 23.44 ATOM 1183 HE1 LYS 73 -19.561 38.349 -5.992 1.00 37.00 ATOM 1184 HE2 LYS 73 -21.245 38.877 -5.998 1.00 44.51 ATOM 1185 NZ LYS 73 -20.459 38.425 -7.892 1.00 71.05 ATOM 1186 HZ1 LYS 73 -19.751 37.799 -8.326 1.00 70.35 ATOM 1187 HZ2 LYS 73 -20.185 39.412 -8.073 1.00 13.53 ATOM 1188 HZ3 LYS 73 -21.384 38.250 -8.338 1.00 73.03 ATOM 1189 C LYS 73 -24.957 37.519 -3.450 1.00 23.42 ATOM 1190 O LYS 73 -25.132 38.690 -3.784 1.00 23.44 ATOM 1191 N ASN 74 -25.957 36.670 -3.235 1.00 41.15 ATOM 1192 HN ASN 74 -25.764 35.736 -2.992 1.00 37.00 ATOM 1193 CA ASN 74 -27.350 37.077 -3.385 1.00 25.24 ATOM 1194 HA ASN 74 -27.517 37.313 -4.426 1.00 32.34 ATOM 1195 CB ASN 74 -28.283 35.946 -2.947 1.00 65.24 ATOM 1196 HB1 ASN 74 -29.210 36.357 -2.564 1.00 37.00 ATOM 1197 HB2 ASN 74 -27.813 35.367 -2.171 1.00 52.15 ATOM 1198 CG ASN 74 -28.633 35.011 -4.089 1.00 51.53 ATOM 1199 OD1 ASN 74 -28.338 35.294 -5.251 1.00 2.45 ATOM 1200 ND2 ASN 74 -29.267 33.891 -3.763 1.00 63.14 ATOM 1201 HD21 ASN 74 -29.479 33.719 -2.819 1.00 22.42 ATOM 1202 HD22 ASN 74 -29.501 33.273 -4.486 1.00 23.50 ATOM 1203 C ASN 74 -27.639 38.334 -2.570 1.00 33.21 ATOM 1204 O ASN 74 -28.484 39.148 -2.943 1.00 42.31 ATOM 1205 N LYS 75 -26.933 38.485 -1.455 1.00 4.50 ATOM 1206 HN LYS 75 -26.299 37.785 -1.176 1.00 37.00 ATOM 1207 CA LYS 75 -27.111 39.643 -0.587 1.00 11.40 ATOM 1208 HA LYS 75 -28.173 39.790 -0.431 1.00 64.51 ATOM 1209 CB LYS 75 -26.444 39.398 0.769 1.00 55.05 ATOM 1210 HB1 LYS 75 -25.371 39.353 0.629 1.00 37.00 ATOM 1211 HB2 LYS 75 -26.776 38.442 1.152 1.00 32.24 ATOM 1212 CG LYS 75 -26.740 40.477 1.796 1.00 42.22 ATOM 1213 HG1 LYS 75 -26.740 41.451 1.328 1.00 37.00 ATOM 1214 HG2 LYS 75 -25.957 40.447 2.542 1.00 13.12 ATOM 1215 CD LYS 75 -28.083 40.253 2.470 1.00 22.31 ATOM 1216 HD1 LYS 75 -28.289 39.191 2.540 1.00 37.00 ATOM 1217 HD2 LYS 75 -28.850 40.729 1.878 1.00 31.13 ATOM 1218 CE LYS 75 -28.107 40.840 3.873 1.00 31.30 ATOM 1219 HE1 LYS 75 -27.492 41.732 3.906 1.00 37.00 ATOM 1220 HE2 LYS 75 -27.712 40.108 4.561 1.00 34.21 ATOM 1221 NZ LYS 75 -29.487 41.202 4.299 1.00 53.53 ATOM 1222 HZ1 LYS 75 -30.099 40.359 4.298 1.00 62.10 ATOM 1223 HZ2 LYS 75 -29.891 41.912 3.653 1.00 70.03 ATOM 1224 HZ3 LYS 75 -29.468 41.600 5.260 1.00 10.40 ATOM 1225 C LYS 75 -26.532 40.900 -1.230 1.00 34.30 ATOM 1226 O LYS 75 -27.108 41.983 -1.128 1.00 10.14 ATOM 1227 N VAL 76 -25.391 40.747 -1.894 1.00 50.11 ATOM 1228 HN VAL 76 -24.987 39.853 -1.963 1.00 37.00 ATOM 1229 CA VAL 76 -24.736 41.869 -2.556 1.00 60.12 ATOM 1230 HA VAL 76 -24.776 42.727 -1.892 1.00 74.54 ATOM 1231 CB VAL 76 -23.257 41.559 -2.853 1.00 43.24 ATOM 1232 HB VAL 76 -23.208 40.790 -3.614 1.00 70.34 ATOM 1233 CG1 VAL 76 -22.548 42.797 -3.383 1.00 22.55 ATOM 1234 HG11 VAL 76 -22.638 43.603 -2.668 1.00 30.41 ATOM 1235 HG12 VAL 76 -22.985 43.099 -4.322 1.00 61.31 ATOM 1236 HG13 VAL 76 -21.501 42.576 -3.539 1.00 64.31 ATOM 1237 CG2 VAL 76 -22.563 41.029 -1.608 1.00 31.03 ATOM 1238 HG21 VAL 76 -23.006 40.092 -1.309 1.00 12.24 ATOM 1239 HG22 VAL 76 -22.660 41.745 -0.804 1.00 40.20 ATOM 1240 HG23 VAL 76 -21.513 40.870 -1.818 1.00 73.54 ATOM 1241 C VAL 76 -25.441 42.225 -3.860 1.00 11.40 ATOM 1242 O VAL 76 -25.520 43.395 -4.235 1.00 33.20 ATOM 1243 N ALA 77 -25.953 41.209 -4.547 1.00 4.12 ATOM 1244 HN ALA 77 -25.844 40.290 -4.212 1.00 37.00 ATOM 1245 CA ALA 77 -26.654 41.415 -5.808 1.00 2.31 ATOM 1246 HA ALA 77 -25.935 41.759 -6.538 1.00 64.04 ATOM 1247 CB ALA 77 -27.241 40.103 -6.306 1.00 14.13 ATOM 1248 HB1 ALA 77 -27.709 40.255 -7.269 1.00 53.04 ATOM 1249 HB2 ALA 77 -27.977 39.742 -5.601 1.00 14.32 ATOM 1250 HB3 ALA 77 -26.451 39.373 -6.404 1.00 31.24 ATOM 1251 C ALA 77 -27.749 42.466 -5.661 1.00 74.15 ATOM 1252 O ALA 77 -28.014 43.233 -6.586 1.00 73.05 ATOM 1253 N ALA 78 -28.383 42.494 -4.494 1.00 13.22 ATOM 1254 HN ALA 78 -28.151 41.838 -3.796 1.00 37.00 ATOM 1255 CA ALA 78 -29.449 43.452 -4.226 1.00 74.34 ATOM 1256 HA ALA 78 -30.223 43.314 -4.971 1.00 64.32 ATOM 1257 CB ALA 78 -30.064 43.189 -2.859 1.00 44.52 ATOM 1258 HB1 ALA 78 -30.891 43.866 -2.695 1.00 53.20 ATOM 1259 HB2 ALA 78 -29.319 43.337 -2.090 1.00 14.44 ATOM 1260 HB3 ALA 78 -30.423 42.171 -2.818 1.00 2.34 ATOM 1261 C ALA 78 -28.934 44.885 -4.311 1.00 73.50 ATOM 1262 O ALA 78 -29.414 45.678 -5.120 1.00 3.51 ATOM 1263 N GLN 79 -27.957 45.208 -3.471 1.00 24.44 ATOM 1264 HN GLN 79 -27.585 44.506 -2.891 1.00 37.00 ATOM 1265 CA GLN 79 -27.378 46.546 -3.451 1.00 14.04 ATOM 1266 HA GLN 79 -28.182 47.261 -3.332 1.00 71.30 ATOM 1267 CB GLN 79 -26.416 46.691 -2.271 1.00 24.12 ATOM 1268 HB1 GLN 79 -26.180 47.739 -2.148 1.00 37.00 ATOM 1269 HB2 GLN 79 -25.504 46.146 -2.483 1.00 10.15 ATOM 1270 CG GLN 79 -26.977 46.166 -0.959 1.00 52.13 ATOM 1271 HG1 GLN 79 -27.116 45.100 -1.039 1.00 37.00 ATOM 1272 HG2 GLN 79 -27.932 46.637 -0.776 1.00 25.42 ATOM 1273 CD GLN 79 -26.070 46.455 0.221 1.00 74.51 ATOM 1274 OE1 GLN 79 -25.643 47.591 0.427 1.00 34.13 ATOM 1275 NE2 GLN 79 -25.771 45.424 1.004 1.00 53.45 ATOM 1276 HE21 GLN 79 -26.140 44.536 0.794 1.00 2.31 ATOM 1277 HE22 GLN 79 -25.186 45.592 1.772 1.00 44.01 ATOM 1278 C GLN 79 -26.649 46.844 -4.757 1.00 33.43 ATOM 1279 O GLN 79 -26.521 48.000 -5.158 1.00 32.54 ATOM 1280 N ASN 80 -26.173 45.792 -5.416 1.00 1.24 ATOM 1281 HN ASN 80 -26.289 44.885 -5.054 1.00 37.00 ATOM 1282 CA ASN 80 -25.455 45.941 -6.676 1.00 54.35 ATOM 1283 HA ASN 80 -25.176 46.982 -6.803 1.00 42.23 ATOM 1284 CB ASN 80 -24.181 45.095 -6.665 1.00 5.41 ATOM 1285 HB1 ASN 80 -24.443 44.045 -6.708 1.00 37.00 ATOM 1286 HB2 ASN 80 -23.648 45.285 -5.743 1.00 1.34 ATOM 1287 CG ASN 80 -23.255 45.429 -7.819 1.00 2.12 ATOM 1288 OD1 ASN 80 -22.813 46.569 -7.965 1.00 72.12 ATOM 1289 ND2 ASN 80 -22.957 44.433 -8.645 1.00 42.21 ATOM 1290 HD21 ASN 80 -23.338 43.541 -8.482 1.00 14.23 ATOM 1291 HD22 ASN 80 -22.360 44.630 -9.397 1.00 61.12 ATOM 1292 C ASN 80 -26.336 45.537 -7.855 1.00 14.42 ATOM 1293 O ASN 80 -25.910 44.789 -8.735 1.00 3.33 ATOM 1294 N TYR 81 -27.567 46.038 -7.865 1.00 62.21 ATOM 1295 HN TYR 81 -27.851 46.655 -7.154 1.00 37.00 ATOM 1296 CA TYR 81 -28.509 45.728 -8.934 1.00 1.11 ATOM 1297 HA TYR 81 -28.157 44.843 -9.458 1.00 21.50 ATOM 1298 CB TYR 81 -29.893 45.433 -8.353 1.00 24.42 ATOM 1299 HB1 TYR 81 -30.458 46.353 -8.250 1.00 37.00 ATOM 1300 HB2 TYR 81 -29.772 44.996 -7.372 1.00 75.53 ATOM 1301 CG TYR 81 -30.707 44.470 -9.187 1.00 62.31 ATOM 1302 CD1 TYR 81 -30.808 43.129 -8.835 1.00 50.24 ATOM 1303 HD1 TYR 81 -30.296 42.774 -7.951 1.00 15.10 ATOM 1304 CD2 TYR 81 -31.374 44.900 -10.327 1.00 61.24 ATOM 1305 HD2 TYR 81 -31.307 45.939 -10.618 1.00 1.13 ATOM 1306 CE1 TYR 81 -31.550 42.246 -9.595 1.00 31.51 ATOM 1307 HE1 TYR 81 -31.616 41.208 -9.305 1.00 52.14 ATOM 1308 CE2 TYR 81 -32.119 44.024 -11.092 1.00 74.40 ATOM 1309 HE2 TYR 81 -32.631 44.379 -11.974 1.00 13.22 ATOM 1310 CZ TYR 81 -32.204 42.698 -10.722 1.00 33.41 ATOM 1311 OH TYR 81 -32.945 41.821 -11.482 1.00 2.32 ATOM 1312 HH TYR 81 -33.759 41.596 -11.021 1.00 75.13 ATOM 1313 C TYR 81 -28.599 46.879 -9.931 1.00 50.12 ATOM 1314 O TYR 81 -28.527 48.049 -9.554 1.00 63.23 ATOM 1315 N ARG 82 -28.758 46.538 -11.206 1.00 20.22 ATOM 1316 HN ARG 82 -28.798 45.582 -11.449 1.00 37.00 ATOM 1317 CA ARG 82 -28.858 47.541 -12.259 1.00 4.33 ATOM 1318 HA ARG 82 -29.469 48.360 -11.899 1.00 13.31 ATOM 1319 CB ARG 82 -27.470 48.079 -12.613 1.00 70.12 ATOM 1320 HB1 ARG 82 -26.986 48.404 -11.702 1.00 37.00 ATOM 1321 HB2 ARG 82 -27.592 48.934 -13.265 1.00 13.33 ATOM 1322 CG ARG 82 -26.587 47.065 -13.323 1.00 53.41 ATOM 1323 HG1 ARG 82 -26.276 47.487 -14.267 1.00 37.00 ATOM 1324 HG2 ARG 82 -27.124 46.152 -13.509 1.00 12.42 ATOM 1325 CD ARG 82 -25.342 46.745 -12.511 1.00 14.14 ATOM 1326 HD1 ARG 82 -25.637 46.297 -11.572 1.00 37.00 ATOM 1327 HD2 ARG 82 -24.810 47.667 -12.314 1.00 22.45 ATOM 1328 NE ARG 82 -24.444 45.838 -13.220 1.00 73.10 ATOM 1329 HE ARG 82 -23.603 46.213 -13.562 1.00 13.10 ATOM 1330 CZ ARG 82 -24.707 44.551 -13.420 1.00 51.34 ATOM 1331 NH1 ARG 82 -25.836 44.024 -12.968 1.00 30.42 ATOM 1332 HH11 ARG 82 -26.504 44.558 -12.464 1.00 2.11 ATOM 1333 HH12 ARG 82 -26.027 43.055 -13.138 1.00 71.31 ATOM 1334 NH2 ARG 82 -23.840 43.790 -14.075 1.00 61.14 ATOM 1335 HH21 ARG 82 -22.987 44.180 -14.410 1.00 41.33 ATOM 1336 HH22 ARG 82 -24.039 42.821 -14.235 1.00 34.05 ATOM 1337 C ARG 82 -29.523 46.960 -13.503 1.00 23.32 ATOM 1338 O ARG 82 -29.706 45.747 -13.613 1.00 41.21 ATOM 1339 N LYS 83 -29.883 47.833 -14.438 1.00 21.44 ATOM 1340 HN LYS 83 -29.720 48.795 -14.298 1.00 37.00 ATOM 1341 CA LYS 83 -30.527 47.407 -15.675 1.00 10.54 ATOM 1342 HA LYS 83 -30.533 46.321 -15.717 1.00 13.23 ATOM 1343 CB LYS 83 -31.974 47.904 -15.717 1.00 42.54 ATOM 1344 HB1 LYS 83 -32.286 48.001 -16.750 1.00 37.00 ATOM 1345 HB2 LYS 83 -32.027 48.877 -15.247 1.00 13.50 ATOM 1346 CG LYS 83 -32.954 46.983 -15.013 1.00 15.34 ATOM 1347 HG1 LYS 83 -32.733 46.990 -13.955 1.00 37.00 ATOM 1348 HG2 LYS 83 -32.836 45.976 -15.394 1.00 74.21 ATOM 1349 CD LYS 83 -34.390 47.438 -15.214 1.00 73.15 ATOM 1350 HD1 LYS 83 -34.451 48.515 -15.115 1.00 37.00 ATOM 1351 HD2 LYS 83 -35.007 46.975 -14.458 1.00 61.34 ATOM 1352 CE LYS 83 -34.916 47.034 -16.583 1.00 64.44 ATOM 1353 HE1 LYS 83 -34.998 45.958 -16.619 1.00 37.00 ATOM 1354 HE2 LYS 83 -34.226 47.367 -17.345 1.00 3.15 ATOM 1355 NZ LYS 83 -36.252 47.629 -16.863 1.00 23.23 ATOM 1356 HZ1 LYS 83 -36.581 47.334 -17.805 1.00 14.21 ATOM 1357 HZ2 LYS 83 -36.198 48.668 -16.840 1.00 24.13 ATOM 1358 HZ3 LYS 83 -36.945 47.313 -16.153 1.00 73.03 ATOM 1359 C LYS 83 -29.765 47.924 -16.891 1.00 3.35 ATOM 1360 O LYS 83 -29.779 49.120 -17.182 1.00 13.45 ATOM 1361 N ARG 84 -29.101 47.015 -17.597 1.00 50.44 ATOM 1362 HN ARG 84 -29.116 46.071 -17.313 1.00 37.00 ATOM 1363 CA ARG 84 -28.333 47.380 -18.782 1.00 14.20 ATOM 1364 HA ARG 84 -28.711 48.315 -19.177 1.00 51.22 ATOM 1365 CB ARG 84 -26.857 47.562 -18.423 1.00 74.13 ATOM 1366 HB1 ARG 84 -26.785 48.394 -17.736 1.00 37.00 ATOM 1367 HB2 ARG 84 -26.299 47.816 -19.312 1.00 61.15 ATOM 1368 CG ARG 84 -26.242 46.350 -17.744 1.00 31.35 ATOM 1369 HG1 ARG 84 -26.997 45.597 -17.559 1.00 37.00 ATOM 1370 HG2 ARG 84 -25.819 46.665 -16.801 1.00 72.42 ATOM 1371 CD ARG 84 -25.144 45.732 -18.594 1.00 63.54 ATOM 1372 HD1 ARG 84 -24.728 46.464 -19.276 1.00 37.00 ATOM 1373 HD2 ARG 84 -25.582 44.931 -19.172 1.00 30.01 ATOM 1374 NE ARG 84 -24.070 45.171 -17.779 1.00 23.12 ATOM 1375 HE ARG 84 -24.072 44.199 -17.638 1.00 63.22 ATOM 1376 CZ ARG 84 -23.107 45.902 -17.228 1.00 13.14 ATOM 1377 NH1 ARG 84 -23.085 47.216 -17.403 1.00 54.13 ATOM 1378 HH11 ARG 84 -23.781 47.684 -17.941 1.00 51.24 ATOM 1379 HH12 ARG 84 -22.352 47.757 -16.985 1.00 53.51 ATOM 1380 NH2 ARG 84 -22.165 45.319 -16.498 1.00 65.14 ATOM 1381 HH21 ARG 84 -22.174 44.327 -16.365 1.00 21.44 ATOM 1382 HH22 ARG 84 -21.440 45.869 -16.077 1.00 62.12 ATOM 1383 C ARG 84 -28.477 46.320 -19.870 1.00 43.33 ATOM 1384 O ARG 84 -29.184 45.328 -19.697 1.00 33.24 ATOM 1385 N LYS 85 -27.801 46.538 -20.993 1.00 62.24 ATOM 1386 HN LYS 85 -27.267 47.356 -21.097 1.00 37.00 ATOM 1387 CA LYS 85 -27.851 45.602 -22.111 1.00 11.34 ATOM 1388 HA LYS 85 -28.490 44.764 -21.853 1.00 61.11 ATOM 1389 CB LYS 85 -28.425 46.289 -23.352 1.00 33.10 ATOM 1390 HB1 LYS 85 -28.228 45.668 -24.220 1.00 37.00 ATOM 1391 HB2 LYS 85 -27.929 47.240 -23.484 1.00 63.03 ATOM 1392 CG LYS 85 -29.921 46.541 -23.270 1.00 42.53 ATOM 1393 HG1 LYS 85 -30.093 47.465 -22.736 1.00 37.00 ATOM 1394 HG2 LYS 85 -30.395 45.725 -22.739 1.00 24.25 ATOM 1395 CD LYS 85 -30.546 46.639 -24.652 1.00 11.33 ATOM 1396 HD1 LYS 85 -31.617 46.726 -24.543 1.00 37.00 ATOM 1397 HD2 LYS 85 -30.314 45.745 -25.215 1.00 2.52 ATOM 1398 CE LYS 85 -30.030 47.851 -25.413 1.00 24.42 ATOM 1399 HE1 LYS 85 -29.019 47.653 -25.737 1.00 37.00 ATOM 1400 HE2 LYS 85 -30.036 48.714 -24.760 1.00 74.12 ATOM 1401 NZ LYS 85 -30.868 48.155 -26.605 1.00 43.15 ATOM 1402 HZ1 LYS 85 -30.489 48.987 -27.101 1.00 12.34 ATOM 1403 HZ2 LYS 85 -31.848 48.357 -26.317 1.00 2.12 ATOM 1404 HZ3 LYS 85 -30.870 47.347 -27.262 1.00 52.51 ATOM 1405 C LYS 85 -26.464 45.048 -22.419 1.00 42.22 ATOM 1406 O LYS 85 -25.455 45.572 -21.944 1.00 32.42 ATOM 1407 N LEU 86 -26.420 43.988 -23.218 1.00 63.03 ATOM 1408 HN LEU 86 -27.263 43.620 -23.576 1.00 37.00 ATOM 1409 CA LEU 86 -25.155 43.364 -23.592 1.00 33.41 ATOM 1410 HA LEU 86 -24.546 43.288 -22.703 1.00 42.21 ATOM 1411 CB LEU 86 -25.403 41.967 -24.165 1.00 51.21 ATOM 1412 HB1 LEU 86 -24.639 41.747 -24.904 1.00 37.00 ATOM 1413 HB2 LEU 86 -26.358 41.969 -24.673 1.00 54.11 ATOM 1414 CG LEU 86 -25.410 40.819 -23.156 1.00 25.34 ATOM 1415 HG LEU 86 -25.664 39.901 -23.667 1.00 55.15 ATOM 1416 CD1 LEU 86 -24.031 40.645 -22.536 1.00 75.22 ATOM 1417 HD11 LEU 86 -24.037 39.781 -21.886 1.00 13.42 ATOM 1418 HD12 LEU 86 -23.769 41.520 -21.961 1.00 13.31 ATOM 1419 HD13 LEU 86 -23.297 40.496 -23.316 1.00 23.13 ATOM 1420 CD2 LEU 86 -26.454 41.063 -22.076 1.00 73.05 ATOM 1421 HD21 LEU 86 -26.487 40.213 -21.409 1.00 2.15 ATOM 1422 HD22 LEU 86 -27.426 41.194 -22.532 1.00 33.04 ATOM 1423 HD23 LEU 86 -26.201 41.949 -21.511 1.00 24.03 ATOM 1424 C LEU 86 -24.406 44.218 -24.610 1.00 21.25 ATOM 1425 O LEU 86 -25.001 45.052 -25.291 1.00 4.21 ATOM 1426 N GLU 87 -23.098 44.001 -24.708 1.00 0.23 ATOM 1427 HN GLU 87 -22.671 43.317 -24.143 1.00 37.00 ATOM 1428 CA GLU 87 -22.268 44.751 -25.644 1.00 34.13 ATOM 1429 HA GLU 87 -22.874 45.491 -26.151 1.00 51.53 ATOM 1430 CB GLU 87 -21.149 45.479 -24.897 1.00 43.11 ATOM 1431 HB1 GLU 87 -20.639 46.144 -25.579 1.00 37.00 ATOM 1432 HB2 GLU 87 -20.440 44.750 -24.525 1.00 34.52 ATOM 1433 CG GLU 87 -21.637 46.293 -23.711 1.00 14.12 ATOM 1434 HG1 GLU 87 -20.776 46.624 -23.149 1.00 37.00 ATOM 1435 HG2 GLU 87 -22.256 45.677 -23.076 1.00 52.34 ATOM 1436 CD GLU 87 -22.432 47.515 -24.129 1.00 73.33 ATOM 1437 OE1 GLU 87 -21.838 48.610 -24.213 1.00 34.15 ATOM 1438 OE2 GLU 87 -23.649 47.375 -24.374 1.00 31.30 ATOM 1439 C GLU 87 -21.672 43.828 -26.702 1.00 70.52 ATOM 1440 O GLU 87 -21.981 42.636 -26.750 1.00 54.50 ATOM 1441 N THR 88 -20.814 44.386 -27.551 1.00 35.10 ATOM 1442 HN THR 88 -20.631 45.352 -27.499 1.00 37.00 ATOM 1443 CA THR 88 -20.176 43.615 -28.610 1.00 23.10 ATOM 1444 HA THR 88 -19.901 42.649 -28.194 1.00 64.40 ATOM 1445 CB THR 88 -21.131 43.394 -29.798 1.00 63.41 ATOM 1446 HB THR 88 -20.865 44.059 -30.612 1.00 70.34 ATOM 1447 OG1 THR 88 -22.477 43.683 -29.405 1.00 21.41 ATOM 1448 HG1 THR 88 -22.622 44.633 -29.423 1.00 0.31 ATOM 1449 CG2 THR 88 -21.041 41.962 -30.305 1.00 12.11 ATOM 1450 HG21 THR 88 -20.031 41.755 -30.630 1.00 10.14 ATOM 1451 HG22 THR 88 -21.718 41.833 -31.136 1.00 53.15 ATOM 1452 HG23 THR 88 -21.312 41.279 -29.513 1.00 12.14 ATOM 1453 C THR 88 -18.913 44.308 -29.110 1.00 13.03 ATOM 1454 O THR 88 -18.908 45.517 -29.342 1.00 14.44 ATOM 1455 N ILE 89 -17.845 43.535 -29.274 1.00 52.01 ATOM 1456 HN ILE 89 -17.899 42.573 -29.073 1.00 37.00 ATOM 1457 CA ILE 89 -16.577 44.076 -29.748 1.00 73.54 ATOM 1458 HA ILE 89 -16.689 45.137 -29.946 1.00 72.22 ATOM 1459 CB ILE 89 -15.464 43.905 -28.698 1.00 32.32 ATOM 1460 HB ILE 89 -15.335 42.852 -28.497 1.00 33.15 ATOM 1461 CG1 ILE 89 -15.851 44.607 -27.395 1.00 4.23 ATOM 1462 HG11 ILE 89 -16.858 44.329 -27.115 1.00 37.00 ATOM 1463 HG12 ILE 89 -15.810 45.678 -27.532 1.00 72.21 ATOM 1464 CG2 ILE 89 -14.147 44.449 -29.229 1.00 5.01 ATOM 1465 HG21 ILE 89 -13.821 43.869 -30.078 1.00 42.02 ATOM 1466 HG22 ILE 89 -13.389 44.390 -28.462 1.00 74.12 ATOM 1467 HG23 ILE 89 -14.272 45.481 -29.527 1.00 24.30 ATOM 1468 CD1 ILE 89 -14.953 44.255 -26.229 1.00 44.53 ATOM 1469 HD11 ILE 89 -15.355 44.687 -25.325 1.00 24.03 ATOM 1470 HD12 ILE 89 -13.963 44.648 -26.402 1.00 0.21 ATOM 1471 HD13 ILE 89 -14.901 43.181 -26.120 1.00 4.34 ATOM 1472 C ILE 89 -16.144 43.402 -31.046 1.00 42.31 ATOM 1473 O ILE 89 -16.204 44.002 -32.120 1.00 21.04 ATOM 1474 N VAL 90 -15.708 42.151 -30.940 1.00 60.14 ATOM 1475 HN VAL 90 -15.722 41.710 -30.068 1.00 37.00 ATOM 1476 CA VAL 90 -15.267 41.394 -32.106 1.00 20.12 ATOM 1477 HA VAL 90 -14.678 42.051 -32.740 1.00 73.33 ATOM 1478 CB VAL 90 -14.379 40.203 -31.698 1.00 50.14 ATOM 1479 HB VAL 90 -14.071 39.677 -32.592 1.00 12.11 ATOM 1480 CG1 VAL 90 -13.125 40.690 -30.988 1.00 53.11 ATOM 1481 HG11 VAL 90 -12.502 39.844 -30.730 1.00 43.15 ATOM 1482 HG12 VAL 90 -13.399 41.222 -30.087 1.00 72.03 ATOM 1483 HG13 VAL 90 -12.573 41.352 -31.641 1.00 31.41 ATOM 1484 CG2 VAL 90 -15.157 39.235 -30.820 1.00 71.34 ATOM 1485 HG21 VAL 90 -15.500 39.734 -29.928 1.00 43.41 ATOM 1486 HG22 VAL 90 -14.513 38.413 -30.537 1.00 15.23 ATOM 1487 HG23 VAL 90 -16.004 38.839 -31.359 1.00 25.02 ATOM 1488 C VAL 90 -16.456 40.876 -32.907 1.00 51.31 ATOM 1489 O VAL 90 -17.540 40.669 -32.363 1.00 32.03 ATOM 1490 N GLN 91 -16.245 40.669 -34.203 1.00 4.42 ATOM 1491 HN GLN 91 -15.349 40.838 -34.582 1.00 37.00 ATOM 1492 HA GLN 91 -18.259 40.507 -34.692 1.00 53.44 ATOM 1493 CB GLN 91 -17.124 40.738 -36.491 1.00 14.40 ATOM 1494 HB1 GLN 91 -17.768 40.193 -37.172 1.00 37.00 ATOM 1495 HB2 GLN 91 -16.098 40.594 -36.801 1.00 13.23 ATOM 1496 CG GLN 91 -17.480 42.212 -36.607 1.00 75.33 ATOM 1497 HG1 GLN 91 -18.286 42.443 -35.922 1.00 37.00 ATOM 1498 HG2 GLN 91 -17.814 42.404 -37.617 1.00 50.24 ATOM 1499 CD GLN 91 -16.308 43.122 -36.297 1.00 73.32 ATOM 1500 OE1 GLN 91 -15.992 43.371 -35.134 1.00 10.14 ATOM 1501 NE2 GLN 91 -15.656 43.623 -37.339 1.00 50.34 ATOM 1502 HE21 GLN 91 -15.952 43.390 -38.248 1.00 72.01 ATOM 1503 HE22 GLN 91 -14.895 44.214 -37.159 1.00 50.01 ATOM 1504 CA GLN 91 -17.300 40.176 -35.079 1.00 70.24 ATOM 1505 C GLN 91 -17.302 38.651 -35.124 1.00 15.34 ATOM 1506 OT1 GLN 91 -16.245 38.063 -35.446 1.00 37.00 ATOM 1507 OT2 GLN 91 -18.361 38.052 -34.837 1.00 37.00 ATOM 1508 OH2 TIP3 1 -31.138 25.511 -15.161 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -30.998 24.920 -15.900 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -30.970 26.384 -15.517 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -31.301 32.060 -12.477 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -31.101 32.484 -13.312 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -30.645 32.403 -11.870 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -29.038 25.233 -13.641 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -29.890 25.471 -14.008 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -28.448 25.216 -14.394 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -32.858 29.818 -14.797 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -33.460 29.263 -15.292 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -32.577 30.485 -15.423 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -29.309 30.289 -15.679 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -29.796 29.554 -16.050 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -28.760 29.896 -15.001 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -30.858 26.079 -11.041 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -31.724 25.974 -10.647 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -30.482 26.838 -10.594 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -30.917 28.052 -16.448 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -31.565 28.377 -15.823 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -31.435 27.612 -17.123 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -29.023 20.783 -12.817 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -29.886 20.404 -12.982 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -28.419 20.044 -12.891 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -28.742 13.791 -11.112 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -28.392 13.137 -11.718 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -28.595 14.628 -11.552 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -29.222 15.900 -12.763 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -30.139 16.171 -12.799 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -29.099 15.365 -13.547 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -30.936 29.343 -12.871 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -31.718 29.157 -13.391 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -31.008 30.272 -12.654 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -32.747 25.423 -2.264 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -33.188 24.703 -1.814 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -32.760 26.144 -1.634 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -35.636 30.528 -2.052 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -35.016 29.851 -2.325 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -35.844 30.310 -1.144 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -29.009 17.996 2.937 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -29.698 18.654 2.842 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -28.994 17.799 3.874 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -32.235 27.263 0.084 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -33.177 27.321 0.245 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -31.959 28.169 -0.053 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -33.983 29.044 -3.291 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -33.558 28.337 -3.776 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -33.666 29.845 -3.708 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -32.824 26.945 -4.782 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -33.081 26.255 -5.394 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -32.753 26.502 -3.937 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -33.259 22.683 -5.581 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -33.991 22.911 -5.008 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -32.812 21.969 -5.126 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -33.362 20.857 3.487 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -33.282 21.620 4.059 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -33.963 21.136 2.796 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -34.938 27.585 0.669 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -35.179 28.247 1.317 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -35.136 26.751 1.094 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -36.662 28.582 -4.461 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -36.188 28.877 -3.683 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -37.225 29.320 -4.694 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -37.604 27.766 4.148 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -37.517 28.592 4.623 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -38.468 27.436 4.397 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -34.088 30.692 -9.043 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -33.713 29.948 -9.514 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -34.084 30.422 -8.125 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -34.419 30.618 -6.294 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -35.354 30.718 -6.115 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -34.139 29.909 -5.716 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -31.431 19.685 5.752 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -31.838 20.166 5.032 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -31.390 18.780 5.445 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -35.771 21.226 2.054 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -35.447 20.595 1.411 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -36.211 20.691 2.715 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -36.983 24.726 4.061 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -37.329 24.345 4.867 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -37.183 25.660 4.132 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -34.733 27.188 4.011 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -35.634 27.371 3.743 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -34.699 27.447 4.932 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -29.002 19.433 -7.622 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -29.556 19.037 -8.294 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -28.901 20.343 -7.899 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -30.706 28.219 -7.157 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -31.079 27.393 -6.847 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -30.429 28.036 -8.054 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -33.546 23.027 -0.135 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -34.474 22.795 -0.162 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -33.095 22.250 -0.465 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -35.517 25.266 1.590 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -35.943 25.039 2.416 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -34.936 24.528 1.407 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -33.314 26.195 -9.336 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -32.961 25.815 -8.532 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -34.263 26.102 -9.250 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -32.448 24.868 -7.110 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -32.725 24.140 -6.554 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -31.521 24.987 -6.904 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -32.675 20.816 -1.596 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -33.472 20.401 -1.925 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -32.230 20.125 -1.105 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -34.700 28.042 6.603 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -35.051 27.186 6.846 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -33.974 28.185 7.210 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -32.581 28.987 -10.517 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -32.298 28.193 -10.064 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -31.841 29.220 -11.078 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -33.577 24.439 4.024 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -32.832 25.027 3.904 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -34.334 25.021 4.087 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -36.168 23.233 7.280 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -35.215 23.317 7.252 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -36.328 22.522 7.899 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -30.016 23.467 -10.646 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -30.289 23.042 -11.459 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -29.976 24.398 -10.863 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -33.122 22.530 5.923 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -33.403 23.239 5.345 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -32.179 22.457 5.772 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -29.557 24.336 -6.671 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -28.707 24.757 -6.543 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -29.552 23.596 -6.063 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -29.163 22.389 -4.847 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -29.889 21.910 -4.449 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -28.582 22.595 -4.115 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -28.895 22.290 -8.456 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -29.416 22.647 -9.175 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -28.928 22.965 -7.778 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -31.376 20.910 -4.284 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -31.526 19.965 -4.304 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -31.730 21.191 -3.440 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -29.023 20.783 6.039 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -29.886 20.404 5.874 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -28.419 20.044 5.965 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -31.054 19.074 -0.386 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -30.121 19.286 -0.420 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -31.289 19.176 0.537 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -31.025 19.811 2.390 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -31.868 20.079 2.756 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -30.582 20.633 2.179 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -32.134 30.812 -4.173 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -31.481 30.465 -4.781 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -31.623 31.301 -3.527 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -37.484 30.115 5.588 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -37.299 29.781 6.466 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -36.637 30.424 5.266 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -35.139 31.400 4.832 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -34.462 30.768 4.592 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -34.817 31.802 5.640 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -37.215 31.460 0.882 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -37.672 31.989 0.228 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -37.052 32.063 1.607 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -34.888 30.338 1.827 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -35.792 30.503 1.561 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -34.459 31.191 1.761 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -35.386 23.229 14.871 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -35.297 24.173 14.739 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -36.025 22.954 14.213 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -32.747 25.423 16.592 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -33.188 24.703 17.042 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -32.760 26.144 17.222 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -35.589 25.830 13.914 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -35.885 25.508 13.063 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -35.913 26.730 13.956 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -33.983 29.044 15.565 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -33.558 28.337 15.080 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -33.666 29.845 15.148 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -32.824 26.945 14.074 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -33.081 26.255 13.462 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -32.753 26.502 14.919 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -33.259 22.683 13.275 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -33.991 22.911 13.848 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -32.812 21.969 13.730 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -34.388 21.845 10.960 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -33.809 21.995 11.707 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -33.974 22.316 10.237 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -34.419 30.618 12.562 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.354 30.718 12.741 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -34.139 29.909 13.140 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -32.911 22.878 8.590 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -32.869 22.655 7.660 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -32.062 23.276 8.780 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -33.887 19.223 11.540 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -32.995 19.086 11.859 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -33.830 20.014 11.003 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -36.377 26.001 10.705 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -36.672 26.827 11.087 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -37.080 25.381 10.901 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -29.002 19.433 11.234 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -29.556 19.037 10.562 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -28.901 20.343 10.957 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -33.314 26.195 9.520 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -32.961 25.815 10.324 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -34.263 26.102 9.606 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -37.548 28.575 11.172 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -38.365 29.072 11.225 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -37.019 29.050 10.532 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -32.675 20.816 17.260 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -33.472 20.401 16.931 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -32.230 20.125 17.751 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -37.185 29.170 8.105 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -37.829 28.539 8.427 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -36.423 28.639 7.873 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -36.274 25.944 7.932 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -36.542 26.124 8.833 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -36.480 25.018 7.801 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -28.872 30.722 19.111 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -28.894 30.907 20.050 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -28.182 31.291 18.770 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -29.404 25.174 18.957 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -28.570 24.796 18.676 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -29.292 26.117 18.838 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -30.546 19.530 8.951 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -30.449 20.197 8.271 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -30.686 18.714 8.469 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -31.376 20.910 14.572 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -31.526 19.965 14.552 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -31.730 21.191 15.416 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -31.666 18.493 13.034 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -31.386 17.586 13.159 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -30.907 18.927 12.645 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -31.054 19.074 18.470 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -30.121 19.286 18.436 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -31.289 19.176 19.393 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -32.134 30.812 14.683 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -31.481 30.465 14.075 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -31.623 31.301 15.329 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -36.863 31.029 10.011 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -35.997 31.395 9.833 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -37.110 30.589 9.198 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -30.154 30.592 12.691 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -30.348 29.844 12.126 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -30.193 31.350 12.107 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -28.583 47.048 -32.440 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -28.632 46.093 -32.477 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -29.409 47.316 -32.038 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -31.301 50.916 -31.333 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -31.101 51.340 -32.168 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -30.645 51.259 -30.726 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -29.038 44.089 -32.497 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -29.890 44.327 -32.864 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -28.448 44.072 -33.250 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -32.858 48.674 -33.653 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -33.460 48.119 -34.148 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -32.577 49.341 -34.279 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -34.700 46.898 -31.109 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -35.051 46.042 -30.866 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -33.974 47.041 -30.502 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -30.858 44.935 -29.897 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -31.724 44.830 -29.503 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -30.482 45.694 -29.450 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -35.139 50.256 -32.880 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -34.462 49.624 -33.120 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -34.817 50.658 -32.072 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -30.936 48.199 -31.727 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -31.718 48.013 -32.247 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -31.008 49.128 -31.510 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -35.386 42.085 -22.841 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -35.297 43.029 -22.973 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -36.025 41.810 -23.499 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -36.453 41.340 -19.422 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -36.491 40.694 -18.717 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -36.776 40.874 -20.193 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -43.161 45.405 -19.294 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -43.531 44.603 -19.663 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -42.220 45.236 -19.247 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.636 49.384 -20.908 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -35.016 48.707 -21.181 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -35.844 49.166 -20.000 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -38.064 43.773 -19.016 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -37.760 43.087 -19.610 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -37.342 43.891 -18.398 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -29.401 35.374 -18.155 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -29.352 35.984 -17.419 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -28.975 35.835 -18.878 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -29.009 36.852 -15.919 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -29.698 37.510 -16.014 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -28.994 36.655 -14.982 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -35.589 44.686 -23.798 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -35.885 44.364 -24.649 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -35.913 45.586 -23.756 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -40.389 42.862 -17.054 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -41.129 43.460 -16.951 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -39.675 43.416 -17.370 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -32.282 35.690 -21.034 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -32.497 34.924 -20.502 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -31.626 36.162 -20.521 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -41.981 44.826 -16.267 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -41.987 45.705 -16.645 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -42.835 44.743 -15.842 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -33.983 47.900 -22.147 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -33.558 47.193 -22.632 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -33.666 48.701 -22.564 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -29.296 40.707 -17.095 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -29.948 41.402 -17.006 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -28.831 40.917 -17.905 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -33.259 41.539 -24.437 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -33.991 41.767 -23.864 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -32.812 40.825 -23.982 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -33.362 39.713 -15.369 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -33.282 40.476 -14.797 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -33.963 39.992 -16.060 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -40.247 45.597 -19.873 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -40.342 45.019 -20.630 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -39.518 45.226 -19.377 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -40.367 45.337 -14.204 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -40.679 46.119 -13.748 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -41.017 45.184 -14.890 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -34.388 40.701 -26.752 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -33.809 40.851 -26.005 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -33.974 41.172 -27.475 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -36.662 47.438 -23.317 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -36.188 47.733 -22.539 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -37.225 48.176 -23.550 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -42.128 47.409 -13.440 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -42.120 47.273 -14.388 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -43.044 47.291 -13.188 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -37.190 50.394 -24.902 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -37.265 50.273 -25.848 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -37.157 51.344 -24.783 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -34.419 49.474 -25.150 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -35.354 49.574 -24.971 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -34.139 48.765 -24.572 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -33.674 36.873 -14.883 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -34.188 36.747 -14.086 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -33.829 37.785 -15.128 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -32.911 41.734 -29.122 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -32.869 41.511 -30.052 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -32.062 42.132 -28.932 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -36.937 39.173 -12.799 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -37.500 38.469 -12.479 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -36.111 39.053 -12.332 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -35.771 40.082 -16.802 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -35.447 39.451 -17.445 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -36.211 39.547 -16.141 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -31.353 42.531 -17.246 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -30.711 42.988 -17.789 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -32.183 42.644 -17.708 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -36.983 43.582 -14.795 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -37.329 43.201 -13.989 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -37.183 44.516 -14.724 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -36.377 44.857 -27.007 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -36.672 45.683 -26.625 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -37.080 44.237 -26.811 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -39.353 40.671 -12.735 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -39.649 40.505 -13.630 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -38.422 40.451 -12.745 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -29.002 38.289 -26.478 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -29.556 37.893 -27.150 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -28.901 39.199 -26.755 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -33.546 41.883 -18.991 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -34.474 41.651 -19.018 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -33.095 41.106 -19.321 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -41.003 46.211 -22.858 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -40.476 46.984 -23.059 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -41.883 46.436 -23.160 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -33.314 45.051 -28.192 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -32.961 44.671 -27.388 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -34.263 44.958 -28.106 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -37.548 47.431 -26.540 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -38.365 47.928 -26.487 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -37.019 47.906 -27.180 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -37.481 38.014 -15.383 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -37.362 38.588 -14.626 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -36.826 37.326 -15.268 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -31.277 35.921 -14.548 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -32.193 36.184 -14.636 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -30.941 35.918 -15.445 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -32.675 39.672 -20.452 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -33.472 39.257 -20.781 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -32.230 38.981 -19.961 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -41.277 48.518 -10.982 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -40.509 48.059 -10.641 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -41.298 48.292 -11.912 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -37.185 48.026 -29.607 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -37.829 47.395 -29.285 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -36.423 47.495 -29.839 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -39.312 43.379 -12.215 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -39.640 43.650 -13.073 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -39.160 42.438 -12.303 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -36.274 44.800 -29.780 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -36.542 44.980 -28.879 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -36.480 43.874 -29.911 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -30.016 42.323 -29.502 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -30.289 41.898 -30.315 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -29.976 43.254 -29.719 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -38.854 40.782 -16.039 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -38.103 40.626 -16.612 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -39.193 41.634 -16.315 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -38.366 37.121 -12.284 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -38.602 36.901 -11.382 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -39.149 36.914 -12.793 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -35.650 36.248 -13.208 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -36.598 36.280 -13.076 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -35.338 35.623 -12.554 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -34.016 34.882 -11.203 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -34.113 33.930 -11.209 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -34.338 35.151 -10.342 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -28.895 41.146 -27.312 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -29.416 41.503 -28.031 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -28.928 41.821 -26.634 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -30.546 38.386 -28.761 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -30.449 39.053 -29.441 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -30.686 37.570 -29.243 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -31.376 39.766 -23.140 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -31.526 38.821 -23.160 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -31.730 40.047 -22.296 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -29.023 39.639 -12.817 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -29.886 39.260 -12.982 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -28.419 38.900 -12.891 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -31.666 37.349 -24.678 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -31.386 36.442 -24.553 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -30.907 37.783 -25.067 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -31.054 37.930 -19.242 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -30.121 38.142 -19.276 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -31.289 38.032 -18.319 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -31.025 38.667 -16.466 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -31.868 38.935 -16.100 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -30.582 39.489 -16.677 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -29.222 34.756 -12.763 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -30.139 35.027 -12.799 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -29.099 34.221 -13.547 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -41.795 47.572 -16.227 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -42.220 48.381 -16.510 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -40.890 47.657 -16.529 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -30.221 32.846 -14.944 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -31.034 33.171 -15.332 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -29.988 32.086 -15.477 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -41.926 50.428 -17.150 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -42.791 50.500 -16.746 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -41.981 50.975 -17.934 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -42.837 48.161 -20.614 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -43.056 47.245 -20.445 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -42.013 48.301 -20.148 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -40.300 48.631 -19.766 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -40.087 47.743 -20.053 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -40.235 48.597 -18.811 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -36.863 49.885 -27.701 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -35.997 50.251 -27.879 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -37.110 49.445 -28.514 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -34.112 32.126 -11.564 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -34.036 31.700 -10.710 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -33.219 32.140 -11.906 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -35.386 42.085 -3.985 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -35.297 43.029 -4.117 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -36.025 41.810 -4.643 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -36.453 41.340 -0.566 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -36.491 40.694 0.139 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -36.776 40.874 -1.337 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -35.636 49.384 -2.052 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -35.016 48.707 -2.325 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -35.844 49.166 -1.144 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -34.923 38.167 0.168 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -34.780 37.220 0.188 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -35.029 38.374 -0.761 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -34.046 36.399 -4.159 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -33.400 36.070 -3.534 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -33.536 36.917 -4.782 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -35.589 44.686 -4.942 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -35.885 44.364 -5.793 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -35.913 45.586 -4.900 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -32.235 46.119 0.084 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -33.177 46.177 0.245 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -31.959 47.025 -0.053 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -38.932 32.492 -1.033 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -39.049 31.543 -1.087 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -39.787 32.824 -0.760 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -33.983 47.900 -3.291 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -33.558 47.193 -3.776 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -33.666 48.701 -3.708 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -36.665 41.329 -6.533 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -37.377 41.864 -6.884 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -35.974 41.385 -7.193 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -36.611 39.787 -9.494 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -35.910 39.809 -8.843 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -36.309 39.159 -10.150 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -33.259 41.539 -5.581 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -33.991 41.767 -5.008 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -32.812 40.825 -5.126 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -33.362 39.713 3.487 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -33.282 40.476 4.059 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -33.963 39.992 2.796 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -34.938 46.441 0.669 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -35.179 47.103 1.317 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -35.136 45.607 1.094 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -36.662 47.438 -4.461 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -36.188 47.733 -3.683 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -37.225 48.176 -4.694 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -30.690 32.451 -8.083 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -31.589 32.590 -7.788 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -30.438 33.282 -8.485 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -28.583 47.048 5.272 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -28.632 46.093 5.235 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -29.409 47.316 5.674 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -34.088 49.548 -9.043 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -33.713 48.804 -9.514 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -34.084 49.278 -8.125 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -34.419 49.474 -6.294 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -35.354 49.574 -6.115 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -34.139 48.765 -5.716 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -37.000 33.117 3.119 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -36.580 32.702 3.872 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -37.933 32.939 3.236 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -33.674 36.873 3.973 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -34.188 36.747 4.770 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -33.829 37.785 3.728 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -37.338 35.610 -9.596 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -37.592 35.629 -8.673 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -37.595 34.738 -9.897 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -36.039 38.998 -5.431 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -36.448 39.813 -5.723 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -35.319 38.858 -6.046 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -36.937 39.173 6.057 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -37.500 38.469 6.377 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -36.111 39.053 6.524 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -35.035 38.444 -2.617 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -35.230 39.049 -3.332 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -34.853 37.610 -3.052 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -35.771 40.082 2.054 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -35.447 39.451 1.411 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -36.211 39.547 2.715 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -34.588 35.244 0.102 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -35.265 35.375 0.766 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -35.074 35.089 -0.708 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -38.503 43.398 -7.176 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -39.247 42.891 -7.499 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -38.637 43.447 -6.230 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -34.605 36.212 -8.977 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -35.543 36.324 -9.128 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.308 37.069 -8.671 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -36.983 43.582 4.061 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -37.329 43.201 4.867 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -37.183 44.516 4.132 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -33.887 38.079 -7.316 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -32.995 37.942 -6.997 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -33.830 38.870 -7.853 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -36.377 44.857 -8.151 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -36.672 45.683 -7.769 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -37.080 44.237 -7.955 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -34.733 46.044 4.011 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -35.634 46.227 3.743 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -34.699 46.303 4.932 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -33.546 41.883 -0.135 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -34.474 41.651 -0.162 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -33.095 41.106 -0.465 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -35.517 44.122 1.590 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -35.943 43.895 2.416 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -34.936 43.384 1.407 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -39.223 46.163 -10.889 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -38.984 45.415 -11.437 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -39.492 45.775 -10.057 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -36.001 35.648 2.356 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -35.303 35.722 3.006 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -36.382 34.784 2.511 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -35.217 35.300 -6.547 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -34.997 35.772 -7.350 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -34.659 35.695 -5.876 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -37.548 47.431 -7.684 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -38.365 47.928 -7.631 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -37.019 47.906 -8.324 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -37.133 34.109 -4.774 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -37.480 34.727 -4.129 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -36.475 34.610 -5.255 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -31.277 35.921 4.308 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -32.193 36.184 4.220 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -30.941 35.918 3.411 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -32.675 39.672 -1.596 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -33.472 39.257 -1.925 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -32.230 38.981 -1.105 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -31.588 48.928 0.026 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -31.744 49.606 -0.631 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -30.656 49.000 0.229 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -37.185 48.026 -10.751 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -37.829 47.395 -10.429 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -36.423 47.495 -10.983 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -36.274 44.800 -10.924 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -36.542 44.980 -10.023 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -36.480 43.874 -11.055 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -33.577 43.295 4.024 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -32.832 43.883 3.904 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -34.334 43.877 4.087 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -39.406 39.968 -10.091 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -39.586 39.814 -11.019 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -38.455 40.076 -10.047 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -36.168 42.089 7.280 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -35.215 42.173 7.252 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -36.328 41.378 7.899 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -34.438 38.597 7.845 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -34.246 37.666 7.734 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -33.581 39.022 7.835 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -35.650 36.248 5.648 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -36.598 36.280 5.780 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -35.338 35.623 6.302 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -39.408 32.093 5.680 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -38.696 31.453 5.666 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -39.509 32.360 4.766 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -39.055 33.776 7.734 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -39.186 33.300 6.913 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -39.654 34.520 7.678 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -29.309 49.145 3.177 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -29.796 48.410 2.806 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -28.760 48.752 3.855 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -30.858 44.935 7.815 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -31.724 44.830 8.209 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -30.482 45.694 8.262 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -30.917 46.908 2.408 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -31.565 47.233 3.033 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -31.435 46.468 1.733 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -30.546 38.386 -9.905 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -30.449 39.053 -10.585 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -30.686 37.570 -10.387 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -31.298 35.794 -10.788 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -30.688 35.422 -10.151 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -32.135 35.372 -10.592 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -32.134 49.668 -4.173 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -31.481 49.321 -4.781 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -31.623 50.157 -3.527 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -32.283 50.764 2.122 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -32.465 51.680 1.911 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -32.107 50.354 1.275 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -36.791 34.295 -1.765 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -37.466 33.666 -1.510 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -36.227 33.811 -2.368 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -34.328 32.886 -2.481 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -34.252 32.981 -3.430 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -34.604 31.978 -2.352 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -32.975 32.912 -6.788 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -33.678 33.526 -6.998 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -33.420 32.074 -6.657 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -36.863 49.885 -8.845 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -35.997 50.251 -9.023 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -37.110 49.445 -9.658 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -30.936 48.199 5.985 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -31.718 48.013 5.465 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -31.008 49.128 6.202 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -29.500 46.817 9.150 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -29.427 47.756 9.320 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -28.595 46.512 9.093 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -32.911 41.734 8.590 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -32.869 41.511 7.660 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -32.062 42.132 8.780 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -37.338 35.610 9.260 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -37.592 35.629 10.183 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -37.595 34.738 8.959 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -34.605 36.212 9.879 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -35.543 36.324 9.728 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -34.308 37.069 10.185 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -29.002 38.289 11.234 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -29.556 37.893 10.562 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -28.901 39.199 10.957 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -33.314 45.051 9.520 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -32.961 44.671 10.324 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -34.263 44.958 9.606 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -35.217 35.300 12.309 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -34.997 35.772 11.506 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -34.659 35.695 12.980 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -30.016 42.323 8.210 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -30.289 41.898 7.397 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -29.976 43.254 7.993 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -28.895 41.146 10.400 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -29.416 41.503 9.681 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -28.928 41.821 11.078 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -30.546 38.386 8.951 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -30.449 39.053 8.271 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -30.686 37.570 8.469 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -31.298 35.794 8.068 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -30.688 35.422 8.705 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -32.135 35.372 8.264 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -31.052 34.612 13.083 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -30.870 34.163 13.908 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -31.652 34.027 12.619 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -29.186 34.679 9.611 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -28.773 33.958 9.135 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -28.504 35.349 9.669 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -29.922 33.541 15.537 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -29.310 33.027 15.010 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -29.539 34.419 15.560 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -32.975 32.912 12.068 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -33.678 33.526 11.858 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -33.420 32.074 12.199 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -34.016 53.738 -30.059 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -34.113 52.786 -30.065 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -34.338 54.007 -29.198 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -28.742 51.503 -29.968 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -28.392 50.849 -30.574 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -28.595 52.340 -30.408 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -29.222 53.612 -31.619 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -30.139 53.883 -31.655 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -29.099 53.077 -32.403 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -34.112 50.982 -30.420 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -34.036 50.556 -29.566 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -33.219 50.996 -30.762 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -29.401 54.230 -18.155 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -29.352 54.840 -17.419 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -28.975 54.691 -18.878 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -29.009 55.708 -15.919 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -29.698 56.366 -16.014 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -28.994 55.511 -14.982 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -32.282 54.546 -21.034 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -32.497 53.780 -20.502 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -31.626 55.018 -20.521 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -31.935 53.261 -17.355 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -32.671 53.872 -17.393 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -31.251 53.676 -17.881 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -38.932 51.348 -19.889 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -39.049 50.399 -19.943 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -39.787 51.680 -19.616 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -41.663 52.251 -19.111 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -42.524 52.164 -19.519 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -41.685 53.107 -18.684 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -37.000 51.973 -15.737 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -36.580 51.558 -14.984 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -37.933 51.795 -15.620 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -34.588 54.100 -18.754 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -35.265 54.231 -18.090 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -35.074 53.945 -19.564 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -34.605 55.068 -27.833 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -35.543 55.180 -27.984 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -34.308 55.925 -27.527 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -36.001 54.504 -16.500 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -35.303 54.578 -15.850 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -36.382 53.640 -16.345 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -35.217 54.156 -25.403 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -34.997 54.628 -26.206 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -34.659 54.551 -24.732 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -31.277 54.777 -14.548 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -32.193 55.040 -14.636 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -30.941 54.774 -15.445 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -40.436 54.199 -16.279 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -39.900 54.650 -16.931 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -41.288 54.091 -16.701 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -39.630 51.655 -15.847 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -39.728 52.602 -15.953 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -40.373 51.283 -16.323 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -34.016 53.738 -11.203 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -34.113 52.786 -11.209 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -34.338 54.007 -10.342 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -39.408 50.949 -13.176 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -38.696 50.309 -13.190 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -39.509 51.216 -14.090 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -31.298 54.650 -29.644 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -30.688 54.278 -29.007 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -32.135 54.228 -29.448 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -31.052 53.468 -24.629 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -30.870 53.019 -23.804 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -31.652 52.883 -25.093 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -29.222 53.612 -12.763 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -30.139 53.883 -12.799 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -29.099 53.077 -13.547 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -29.186 53.535 -28.101 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -28.773 52.814 -28.577 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -28.504 54.205 -28.043 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -36.791 53.151 -20.621 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -37.466 52.522 -20.366 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -36.227 52.667 -21.224 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -31.649 51.258 -20.509 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -31.045 51.806 -21.010 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -32.518 51.578 -20.749 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -29.922 52.397 -22.175 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -29.310 51.883 -22.702 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -29.539 53.275 -22.152 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -34.328 51.742 -21.337 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -34.252 51.837 -22.286 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -34.604 50.834 -21.208 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -32.975 51.768 -25.644 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -33.678 52.382 -25.854 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -33.420 50.930 -25.513 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -34.112 50.982 -11.564 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -34.036 50.556 -10.710 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -33.219 50.996 -11.906 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -29.401 54.230 0.701 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -29.352 54.840 1.437 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -28.975 54.691 -0.022 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -30.690 51.307 -8.083 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -31.589 51.446 -7.788 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -30.438 52.138 -8.485 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -31.298 54.650 -10.788 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -30.688 54.278 -10.151 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -32.135 54.228 -10.592 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -31.052 53.468 -5.773 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -30.870 53.019 -4.948 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -31.652 52.883 -6.237 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -29.186 53.535 -9.245 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -28.773 52.814 -9.721 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -28.504 54.205 -9.187 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -30.221 51.702 3.912 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -31.034 52.027 3.524 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -29.988 50.942 3.379 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -31.649 51.258 -1.653 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -31.045 51.806 -2.154 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -32.518 51.578 -1.893 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -29.922 52.397 -3.319 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -29.310 51.883 -3.846 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -29.539 53.275 -3.296 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -32.975 51.768 -6.788 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -33.678 52.382 -6.998 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -33.420 50.930 -6.657 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -10.016 -6.990 19.111 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -10.038 -6.805 20.050 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -9.326 -6.421 18.770 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -21.511 7.625 -14.204 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -21.823 8.407 -13.748 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -22.161 7.472 -14.890 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -23.272 9.697 -13.440 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -23.264 9.561 -14.388 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -24.188 9.579 -13.188 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -18.748 8.910 -14.708 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -18.661 9.736 -14.233 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -19.612 8.580 -14.459 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -12.445 13.204 -12.477 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -12.245 13.628 -13.312 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -11.789 13.547 -11.870 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -15.877 8.332 -14.845 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -16.778 8.515 -15.113 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -15.843 8.591 -13.924 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -20.205 10.311 -16.967 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -19.842 11.166 -17.200 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -19.673 10.019 -16.226 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -14.002 10.962 -14.797 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -14.604 10.407 -15.292 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -13.721 11.629 -15.423 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -27.018 11.887 -12.602 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -26.478 11.670 -11.843 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -27.499 11.081 -12.792 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -15.844 9.186 -12.253 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -16.195 8.330 -12.010 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -15.118 9.329 -11.646 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -25.893 8.885 -12.486 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -26.714 9.060 -12.946 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -26.145 8.812 -11.565 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -22.939 9.860 -16.227 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -23.364 10.669 -16.510 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -22.034 9.945 -16.529 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -16.283 12.544 -14.024 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -15.606 11.912 -14.264 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -15.961 12.946 -13.216 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -25.537 13.116 -16.180 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -26.257 13.556 -16.631 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -25.903 12.865 -15.331 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -23.070 12.716 -17.150 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -23.935 12.788 -16.746 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -23.125 13.263 -17.934 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -18.359 12.604 -17.974 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -18.816 13.133 -18.628 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -18.196 13.207 -17.249 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -16.032 11.482 -17.029 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -16.936 11.647 -17.295 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -15.603 12.335 -17.095 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -13.891 6.567 -2.264 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -14.332 5.847 -1.814 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -13.904 7.288 -1.634 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -24.305 7.693 -0.438 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -24.675 6.891 -0.807 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -23.364 7.524 -0.391 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -16.733 6.974 -4.942 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -17.029 6.652 -5.793 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -17.057 7.874 -4.900 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -13.379 8.407 0.084 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -14.321 8.465 0.245 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -13.103 9.313 -0.053 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -15.127 10.188 -3.291 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -14.702 9.481 -3.776 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -14.810 10.989 -3.708 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -13.968 8.089 -4.782 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -14.225 7.399 -5.394 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -13.897 7.646 -3.937 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -21.391 7.885 -1.017 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -21.486 7.307 -1.774 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -20.662 7.514 -0.521 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -16.082 8.729 0.669 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -16.323 9.391 1.317 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -16.280 7.895 1.094 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -17.806 9.726 -4.461 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -17.332 10.021 -3.683 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -18.369 10.464 -4.694 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -9.727 9.336 5.272 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -9.776 8.381 5.235 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -10.553 9.604 5.674 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -18.748 8.910 4.148 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -18.661 9.736 4.623 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -19.612 8.580 4.397 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -24.680 11.471 -4.265 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -24.528 11.123 -3.386 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -25.531 11.115 -4.520 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -15.232 11.836 -9.043 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -14.857 11.092 -9.514 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -15.228 11.566 -8.125 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -17.521 7.145 -8.151 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -17.816 7.971 -7.769 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -18.224 6.525 -7.955 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -15.877 8.332 4.011 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -16.778 8.515 3.743 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -15.843 8.591 4.932 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -11.850 9.363 -7.157 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -12.223 8.537 -6.847 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -11.573 9.180 -8.054 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -22.147 8.499 -4.002 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -21.620 9.272 -4.203 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -23.027 8.724 -4.304 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -20.205 10.311 1.889 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -19.842 11.166 1.656 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -19.673 10.019 2.630 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -14.458 7.339 -9.336 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -14.105 6.959 -8.532 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -15.407 7.246 -9.250 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -9.954 11.819 -9.135 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -9.211 12.405 -9.275 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -10.649 12.387 -8.802 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -20.367 8.451 -10.889 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -20.128 7.703 -11.437 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -20.636 8.063 -10.057 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -21.430 8.021 -8.433 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -21.283 7.501 -7.643 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -21.433 8.928 -8.127 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -18.692 9.719 -7.684 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -19.509 10.216 -7.631 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -18.163 10.194 -8.324 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -21.354 10.762 -7.702 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -21.193 11.562 -8.203 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -21.551 11.069 -6.817 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -24.361 7.888 -9.026 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -23.769 8.587 -8.750 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -23.902 7.455 -9.745 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -12.732 11.216 0.026 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -12.888 11.894 -0.631 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -11.800 11.288 0.229 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -26.307 9.274 -5.076 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -27.139 9.747 -5.049 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -25.761 9.784 -5.675 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -22.421 10.806 7.874 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -21.653 10.347 8.215 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -22.442 10.580 6.944 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -15.844 9.186 6.603 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -16.195 8.330 6.846 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -15.118 9.329 7.210 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -13.725 10.131 -10.517 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -13.442 9.337 -10.064 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -12.985 10.364 -11.078 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -17.418 7.088 -10.924 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -17.686 7.268 -10.023 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -17.624 6.162 -11.055 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -28.435 12.976 -4.530 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -29.082 12.514 -5.063 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -28.080 12.304 -3.947 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -27.565 11.057 -2.725 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -27.899 10.176 -2.553 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -27.343 11.402 -1.861 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -10.016 11.866 0.255 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -10.038 12.051 1.194 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -9.326 12.435 -0.086 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -10.453 11.433 3.177 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -10.940 10.698 2.806 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -9.904 11.040 3.855 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -12.061 9.196 2.408 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -12.709 9.521 3.033 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -12.579 8.756 1.733 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -25.537 13.116 2.676 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -26.257 13.556 2.225 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -25.903 12.865 3.525 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -23.070 12.716 1.706 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -23.935 12.788 2.110 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -23.125 13.263 0.922 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -18.359 12.604 0.882 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -18.816 13.133 0.228 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -18.196 13.207 1.607 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -16.032 11.482 1.827 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -16.936 11.647 1.561 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -15.603 12.335 1.761 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -26.122 11.739 -0.413 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -26.141 11.314 0.444 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -25.317 11.421 -0.822 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -23.981 10.449 -1.758 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -24.200 9.533 -1.589 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -23.157 10.589 -1.292 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -21.444 10.919 -0.910 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -21.231 10.031 -1.197 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -21.379 10.885 0.045 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -26.871 10.963 -7.242 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -27.556 10.925 -7.910 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -26.868 11.876 -6.954 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -11.298 11.736 -6.165 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -11.492 10.988 -6.730 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -11.337 12.494 -6.749 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -25.053 11.883 -10.217 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -25.321 12.170 -9.344 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -24.282 11.337 -10.065 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -12.080 10.487 5.985 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -12.862 10.301 5.465 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -12.152 11.416 6.202 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -10.545 -2.338 19.557 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -10.496 -1.728 20.293 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -10.119 -1.877 18.834 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -10.153 -0.860 21.793 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -10.842 -0.202 21.698 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -10.138 -1.057 22.730 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -10.644 9.105 9.150 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -10.571 10.044 9.320 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -9.739 8.800 9.093 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -18.334 12.682 12.810 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -18.409 12.561 11.864 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -18.301 13.632 12.929 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -15.232 11.836 9.813 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -14.857 11.092 9.342 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -15.228 11.566 10.731 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -15.563 11.762 12.562 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -16.498 11.862 12.741 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -15.283 11.053 13.140 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -11.850 9.363 11.699 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -12.223 8.537 12.009 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -11.573 9.180 10.802 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -14.458 7.339 9.520 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -14.105 6.959 10.324 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -15.407 7.246 9.606 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -9.954 11.819 9.721 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -9.211 12.405 9.581 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -10.649 12.387 10.054 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -20.367 8.451 7.967 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -20.128 7.703 7.419 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -20.636 8.063 8.799 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -18.692 9.719 11.172 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -19.509 10.216 11.225 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -18.163 10.194 10.532 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -12.732 11.216 18.882 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -12.888 11.894 18.225 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -11.800 11.288 19.085 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -18.329 10.314 8.105 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -18.973 9.683 8.427 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -17.567 9.783 7.873 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -13.725 10.131 8.339 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -13.442 9.337 8.792 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -12.985 10.364 7.778 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -17.418 7.088 7.932 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -17.686 7.268 8.833 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -17.624 6.162 7.801 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -20.652 12.947 9.766 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -19.719 13.105 9.910 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -20.916 13.622 9.141 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -10.016 11.866 19.111 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -10.038 12.051 20.050 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -9.326 12.435 18.770 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -10.453 11.433 22.033 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -10.940 10.698 21.662 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -9.904 11.040 22.711 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -10.366 -2.956 24.949 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -11.283 -2.685 24.913 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -10.243 -3.491 24.165 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -13.278 11.956 14.683 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -12.625 11.609 14.075 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -12.767 12.445 15.329 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -18.007 12.173 10.011 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -17.141 12.539 9.833 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -18.254 11.733 9.198 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -11.298 11.736 12.691 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -11.492 10.988 12.126 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -11.337 12.494 12.107 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -25.053 11.883 8.639 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -25.321 12.170 9.512 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -24.282 11.337 8.791 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -12.445 32.060 -31.333 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -12.245 32.484 -32.168 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -11.789 32.403 -30.726 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -16.283 31.400 -32.880 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -15.606 30.768 -33.120 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -15.961 31.802 -32.072 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -18.359 31.460 -36.830 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -18.816 31.989 -37.484 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -18.196 32.063 -36.105 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -16.032 30.338 -35.885 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -16.936 30.503 -36.151 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -15.603 31.191 -35.951 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -13.427 31.908 -35.590 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -13.609 32.824 -35.801 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -13.251 31.498 -36.437 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -25.229 22.099 -17.829 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -25.187 21.473 -17.105 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -24.526 22.722 -17.647 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -19.208 24.917 -19.016 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -18.904 24.231 -19.610 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -18.486 25.035 -18.398 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -10.153 17.996 -15.919 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -10.842 18.654 -16.014 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -10.138 17.799 -14.982 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -24.102 16.330 -17.342 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -24.321 16.860 -18.108 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -24.770 16.557 -16.694 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -21.533 24.006 -17.054 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -22.273 24.604 -16.951 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -20.819 24.560 -17.370 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -23.125 25.970 -16.267 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -23.131 26.849 -16.645 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -23.979 25.887 -15.842 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -13.379 27.263 -18.772 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -14.321 27.321 -18.611 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -13.103 28.169 -18.909 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -12.282 25.511 -15.161 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -12.142 24.920 -15.900 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -12.114 26.384 -15.517 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -10.440 21.851 -17.095 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -11.092 22.546 -17.006 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -9.975 22.061 -17.905 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -14.506 20.857 -15.369 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -14.426 21.620 -14.797 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -15.107 21.136 -16.060 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -22.391 22.082 -18.921 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -21.826 22.203 -19.684 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -22.072 22.719 -18.282 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -16.082 27.585 -18.187 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -16.323 28.247 -17.539 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -16.280 26.751 -17.762 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -24.591 22.679 -14.975 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -24.521 23.330 -14.277 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -25.482 22.782 -15.310 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -23.272 28.553 -13.440 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -23.264 28.417 -14.388 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -24.188 28.435 -13.188 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -27.675 24.746 -16.150 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -28.176 24.718 -16.965 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -27.669 23.840 -15.840 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -18.748 27.766 -14.708 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -18.661 28.592 -14.233 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -19.612 27.436 -14.459 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -12.575 19.685 -13.104 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -12.982 20.166 -13.824 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -12.534 18.780 -13.411 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -25.426 26.069 -15.107 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -25.209 25.708 -14.247 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -26.281 25.695 -15.317 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -18.144 14.261 -15.737 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -17.724 13.846 -14.984 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -19.077 14.083 -15.620 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -14.818 18.017 -14.883 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -15.332 17.891 -14.086 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -14.973 18.929 -15.128 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -22.716 19.505 -18.016 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -23.358 19.464 -17.307 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -22.679 20.431 -18.254 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -18.081 20.317 -12.799 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -18.644 19.613 -12.479 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -17.255 20.197 -12.332 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -24.966 19.825 -16.149 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -25.004 20.225 -15.281 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -25.457 19.008 -16.059 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -16.915 21.226 -16.802 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -16.591 20.595 -17.445 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -17.355 20.691 -16.141 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -20.191 18.329 -17.717 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -21.026 18.783 -17.607 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -19.667 18.605 -16.965 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -12.497 23.675 -17.246 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -11.855 24.132 -17.789 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -13.327 23.788 -17.708 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -18.127 24.726 -14.795 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -18.473 24.345 -13.989 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -18.327 25.660 -14.724 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -27.514 22.298 -14.948 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -27.291 21.880 -14.116 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -28.116 21.685 -15.370 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -20.205 29.167 -16.967 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -19.842 30.022 -17.200 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -19.673 28.875 -16.226 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -16.661 25.266 -17.266 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -17.087 25.039 -16.440 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -16.080 24.528 -17.449 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -25.880 17.051 -15.390 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -26.773 17.390 -15.457 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -25.979 16.196 -14.972 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -26.229 28.856 -16.955 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -26.012 27.924 -16.986 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -25.982 29.130 -16.071 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -17.145 16.792 -16.500 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -16.447 16.866 -15.850 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -17.526 15.928 -16.345 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -18.625 19.158 -15.383 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -18.506 19.732 -14.626 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -17.970 18.470 -15.268 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -12.421 17.065 -14.548 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -13.337 17.328 -14.636 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -12.085 17.062 -15.445 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -12.732 30.072 -18.830 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -12.888 30.750 -19.487 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -11.800 30.144 -18.627 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -22.421 29.662 -10.982 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -21.653 29.203 -10.641 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -22.442 29.436 -11.912 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -27.111 24.553 -11.648 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -26.967 23.651 -11.934 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -27.884 24.839 -12.136 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -14.721 24.439 -14.832 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -13.976 25.027 -14.952 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -15.478 25.021 -14.769 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -26.279 21.753 -12.228 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -25.871 20.896 -12.349 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -26.539 21.768 -11.307 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -22.332 20.762 -14.854 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -22.950 21.437 -14.573 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -21.988 21.083 -15.687 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -21.580 16.487 -16.279 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -21.044 16.938 -16.931 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -22.432 16.379 -16.701 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -19.998 21.926 -16.039 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -19.247 21.770 -16.612 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -20.337 22.778 -16.315 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -14.266 22.530 -12.933 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -14.547 23.239 -13.511 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -13.323 22.457 -13.084 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -20.774 13.943 -15.847 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -20.872 14.890 -15.953 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -21.517 13.571 -16.323 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -16.794 17.392 -13.208 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -17.742 17.424 -13.076 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -16.482 16.767 -12.554 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -15.160 16.026 -11.203 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -15.257 15.074 -11.209 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -15.482 16.295 -10.342 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -25.333 17.236 -12.155 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -25.122 16.529 -12.766 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -25.445 16.798 -11.311 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -10.016 30.722 -18.601 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -10.038 30.907 -17.662 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -9.326 31.291 -18.942 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -10.453 30.289 -15.679 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -10.940 29.554 -16.050 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -9.904 29.896 -15.001 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -10.548 25.174 -18.755 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -9.714 24.796 -19.036 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -10.436 26.117 -18.874 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -12.061 28.052 -16.448 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -12.709 28.377 -15.823 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -12.579 27.612 -17.123 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -12.169 19.811 -16.466 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -13.012 20.079 -16.100 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -11.726 20.633 -16.677 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -27.887 18.259 -12.989 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -26.968 18.137 -12.753 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -28.337 17.509 -12.600 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -9.886 13.791 -11.112 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -9.536 13.137 -11.718 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -9.739 14.628 -11.552 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -10.366 15.900 -12.763 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -11.283 16.171 -12.799 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -10.243 15.365 -13.547 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -22.939 28.716 -16.227 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -23.364 29.525 -16.510 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -22.034 28.801 -16.529 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -25.537 31.972 -16.180 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -26.257 32.412 -16.631 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -25.903 31.721 -15.331 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -23.070 31.572 -17.150 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -23.935 31.644 -16.746 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -23.125 32.119 -17.934 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -18.359 31.460 -17.974 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -18.816 31.989 -18.628 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -18.196 32.063 -17.249 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -16.032 30.338 -17.029 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -16.936 30.503 -17.295 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -15.603 31.191 -17.095 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -25.651 14.587 -13.282 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -26.017 13.822 -12.839 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -24.738 14.616 -12.995 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -15.256 13.270 -11.564 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -15.180 12.844 -10.710 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -14.363 13.284 -11.906 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -27.695 20.209 -5.045 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -28.143 21.055 -5.063 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -28.256 19.629 -5.560 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -26.292 19.809 -1.798 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -25.638 19.259 -1.366 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -26.268 19.535 -2.714 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -24.508 18.222 -0.533 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -23.895 18.855 -0.160 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -23.996 17.750 -1.190 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -11.834 13.595 -8.083 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -12.733 13.734 -7.788 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -11.582 14.426 -8.485 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -28.358 16.941 -3.443 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -27.727 16.912 -2.723 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -27.908 16.516 -4.173 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -27.083 17.687 -8.019 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -26.609 18.278 -8.604 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -27.801 18.218 -7.672 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -26.392 22.217 -9.415 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -25.776 22.844 -9.036 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -27.254 22.533 -9.144 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -25.880 17.051 3.466 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -26.773 17.390 3.399 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -25.979 16.196 3.884 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -26.045 19.408 -9.910 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -26.090 20.347 -9.731 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -26.933 19.172 -10.180 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -25.237 14.190 -1.237 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -25.466 14.249 -2.164 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -25.680 13.398 -0.930 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -25.333 17.236 6.701 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -25.122 16.529 6.090 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -25.445 16.798 7.545 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -20.552 13.237 5.680 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -19.840 12.597 5.666 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -20.653 13.504 4.766 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -12.002 26.079 7.815 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -12.868 25.974 8.209 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -11.626 26.838 8.262 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -27.485 22.988 -0.274 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -27.301 22.906 -1.209 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -26.636 22.864 0.150 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -12.442 16.938 -10.788 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -11.832 16.566 -10.151 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -13.279 16.516 -10.592 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -27.887 18.259 5.867 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -26.968 18.137 6.103 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -28.337 17.509 6.256 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -9.886 13.791 7.744 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -9.536 13.137 7.138 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -9.739 14.628 7.304 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -26.666 16.571 -1.242 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -26.221 15.779 -0.940 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -26.200 17.287 -0.811 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -28.362 19.570 -0.173 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -27.870 19.349 -0.963 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -28.000 20.411 0.108 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -10.366 15.900 6.093 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -11.283 16.171 6.057 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -10.243 15.365 5.309 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -10.330 15.823 -9.245 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -9.917 15.102 -9.721 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -9.648 16.493 -9.187 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -28.049 15.828 -6.118 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -28.974 16.037 -6.248 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -27.595 16.312 -6.808 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -28.085 14.566 2.226 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -28.750 14.320 2.869 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -28.528 15.188 1.649 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -25.609 14.073 -3.943 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -26.386 13.839 -4.451 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -25.078 13.276 -3.935 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -26.772 13.871 -8.140 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -26.333 14.482 -8.731 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -27.406 14.409 -7.666 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -25.651 14.587 5.574 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -26.017 13.822 6.017 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -24.738 14.616 5.861 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -23.678 13.938 7.110 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -22.779 13.664 6.925 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -24.064 13.195 7.574 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -17.597 22.484 18.290 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -17.635 21.838 18.995 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -17.920 22.018 17.519 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -24.305 26.549 18.418 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -24.675 25.747 18.049 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -23.364 26.380 18.465 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -19.208 24.917 18.696 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -18.904 24.231 18.102 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -18.486 25.035 19.314 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -10.545 16.518 19.557 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -10.496 17.128 20.293 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -10.119 16.979 18.834 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -16.067 19.311 19.024 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -15.924 18.364 19.044 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -16.173 19.518 18.095 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -22.912 17.412 16.296 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -22.869 18.272 15.878 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -23.370 16.860 15.663 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -15.190 17.543 14.697 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -14.544 17.214 15.322 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -14.680 18.061 14.074 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -26.292 19.809 17.058 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -25.638 19.259 17.490 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -26.268 19.535 16.142 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -21.136 21.359 16.274 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -20.520 20.833 16.783 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -21.722 20.719 15.870 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -10.153 17.996 21.793 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -10.842 18.654 21.698 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -10.138 17.799 22.730 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -21.533 24.006 20.658 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -22.273 24.604 20.761 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -20.819 24.560 20.342 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -13.426 16.834 16.678 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -13.641 16.068 17.210 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -12.770 17.306 17.191 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -23.125 25.970 21.445 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -23.131 26.849 21.067 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -23.979 25.887 21.870 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -13.079 15.549 20.357 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -13.815 16.160 20.319 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -12.395 15.964 19.831 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -12.282 25.511 22.551 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -12.142 24.920 21.812 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -12.114 26.384 22.195 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -10.440 21.851 20.617 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -11.092 22.546 20.706 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -9.975 22.061 19.807 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -14.506 20.857 22.343 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -14.426 21.620 22.915 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -15.107 21.136 21.652 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -22.758 23.313 15.158 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -23.088 22.943 14.339 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -22.170 22.643 15.504 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -22.391 22.082 18.791 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -21.826 22.203 18.028 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -22.072 22.719 19.430 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -11.834 13.595 10.773 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -12.733 13.734 11.068 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -11.582 14.426 10.371 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -27.924 27.526 18.446 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -26.978 27.382 18.427 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -28.037 28.310 18.983 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -9.727 28.192 24.128 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -9.776 27.237 24.091 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -10.553 28.460 24.530 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -18.748 27.766 23.004 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -18.661 28.592 23.479 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -19.612 27.436 23.253 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -22.719 19.726 14.608 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -23.612 19.385 14.549 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -22.268 19.349 13.852 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -17.183 20.142 13.425 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -17.592 20.957 13.133 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -16.463 20.002 12.810 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -16.179 19.588 16.239 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -16.374 20.193 15.524 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -15.997 18.754 15.804 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -28.358 16.941 15.413 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -27.727 16.912 16.133 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -27.908 16.516 14.683 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -27.083 17.687 10.837 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -26.609 18.278 10.252 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -27.801 18.218 11.184 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -20.137 17.153 15.694 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -21.048 17.210 15.983 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -19.632 17.093 16.505 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -25.309 18.782 14.521 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -26.198 18.882 14.181 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -25.013 17.940 14.175 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -15.732 16.388 18.958 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -16.409 16.519 19.622 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -16.218 16.233 18.148 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -12.445 32.060 25.235 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -12.245 32.484 24.400 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -11.789 32.403 25.842 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -18.817 19.941 17.581 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -18.253 19.394 17.034 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -18.965 19.419 18.370 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -23.815 16.077 13.999 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -24.132 15.175 13.964 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -23.034 16.079 13.447 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -12.497 23.675 20.466 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -11.855 24.132 19.923 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -13.327 23.788 20.004 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -18.127 24.726 22.917 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -18.473 24.345 23.723 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -18.327 25.660 22.988 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -15.031 19.223 11.540 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -14.139 19.086 11.859 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -14.974 20.014 11.003 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -24.522 23.837 17.449 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -23.777 23.835 16.848 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -24.444 23.013 17.931 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -15.877 27.188 22.867 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -16.778 27.371 22.599 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -15.843 27.447 23.788 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -10.182 25.233 24.071 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -11.034 25.471 23.704 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -9.592 25.216 23.318 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -14.690 23.027 18.721 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -15.618 22.795 18.694 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -14.239 22.250 18.391 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -20.205 29.167 20.745 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -19.842 30.022 20.512 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -19.673 28.875 21.486 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -16.661 25.266 20.446 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -17.087 25.039 21.272 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -16.080 24.528 20.263 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -14.002 29.818 22.915 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -14.604 29.263 22.420 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -13.721 30.485 22.289 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -26.229 28.856 20.757 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -26.012 27.924 20.726 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -25.982 29.130 21.641 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -16.361 16.444 12.309 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -16.141 16.916 11.506 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -15.803 16.839 12.980 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -19.161 18.172 13.144 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -18.349 18.676 13.190 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -19.406 18.027 14.058 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -18.277 15.253 14.082 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -18.624 15.871 14.727 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -17.619 15.754 13.601 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -22.620 16.316 10.770 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -22.703 17.205 11.116 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -21.730 16.051 11.001 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -12.421 17.065 23.164 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -13.337 17.328 23.076 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -12.085 17.062 22.267 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -13.819 20.816 17.260 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -14.616 20.401 16.931 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -13.374 20.125 17.751 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -26.045 19.408 8.946 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -26.090 20.347 9.125 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -26.933 19.172 8.676 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -14.721 24.439 22.880 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -13.976 25.027 22.760 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -15.478 25.021 22.943 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -28.435 31.832 14.326 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -29.082 31.370 13.793 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -28.080 31.160 14.909 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -27.565 29.913 16.131 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -27.899 29.032 16.303 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -27.343 30.258 16.995 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -10.453 30.289 22.033 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -10.940 29.554 21.662 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -9.904 29.896 22.711 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -27.485 22.988 18.582 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -27.301 22.906 17.647 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -26.636 22.864 19.006 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -11.664 22.880 24.211 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -11.081 22.146 24.402 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -11.100 23.652 24.257 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -12.169 19.811 21.246 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -13.012 20.079 21.612 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -11.726 20.633 21.035 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -28.362 19.570 18.683 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -27.870 19.349 17.893 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -28.000 20.411 18.964 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -28.049 15.828 12.738 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -28.974 16.037 12.608 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -27.595 16.312 12.048 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -22.939 28.716 21.485 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -23.364 29.525 21.202 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -22.034 28.801 21.183 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -16.283 31.400 23.688 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -15.606 30.768 23.448 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -15.961 31.802 24.496 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -23.070 31.572 20.562 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -23.935 31.644 20.966 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -23.125 32.119 19.778 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -18.359 31.460 19.738 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -18.816 31.989 19.084 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -18.196 32.063 20.463 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -16.032 30.338 20.683 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -16.936 30.503 20.417 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -15.603 31.191 20.617 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -13.427 31.908 20.978 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -13.609 32.824 20.767 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -13.251 31.498 20.131 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -26.122 30.595 18.443 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -26.141 30.170 19.300 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -25.317 30.277 18.034 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -12.793 13.546 17.203 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -12.189 14.094 16.702 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -13.662 13.866 16.963 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -15.472 14.030 16.375 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -15.396 14.125 15.426 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -15.748 13.122 16.504 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -14.119 14.056 12.068 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -14.822 14.670 11.858 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -14.564 13.218 12.199 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -24.911 15.787 9.159 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -24.420 15.157 8.631 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -24.288 16.083 9.822 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -19.885 16.080 11.616 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -19.707 15.434 12.299 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -19.939 16.914 12.083 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -12.080 29.343 24.841 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -12.862 29.157 24.321 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -12.152 30.272 25.058 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -16.530 42.085 -41.697 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -16.441 43.029 -41.829 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -17.169 41.810 -42.355 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -25.229 40.955 -36.685 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -25.187 40.329 -35.961 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -24.526 41.578 -36.503 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -24.305 45.405 -38.150 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -24.675 44.603 -38.519 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -23.364 45.236 -38.103 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -16.780 49.384 -39.764 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -16.160 48.707 -40.037 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -16.988 49.166 -38.856 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -10.545 35.374 -37.011 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -10.496 35.984 -36.275 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -10.119 35.835 -37.734 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -22.912 36.268 -40.272 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -22.869 37.128 -40.690 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -23.370 35.716 -40.905 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -15.190 36.399 -41.871 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -14.544 36.070 -41.246 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -14.680 36.917 -42.494 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -21.136 40.215 -40.294 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -20.520 39.689 -39.785 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -21.722 39.575 -40.698 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -10.153 36.852 -34.775 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -10.842 37.510 -34.870 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -10.138 36.655 -33.838 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -24.102 35.186 -36.198 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -24.321 35.716 -36.964 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -24.770 35.413 -35.550 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -16.733 44.686 -42.654 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -17.029 44.364 -43.505 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -17.057 45.586 -42.612 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -21.533 42.862 -35.910 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -22.273 43.460 -35.807 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -20.819 43.416 -36.226 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -13.426 35.690 -39.890 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -13.641 34.924 -39.358 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -12.770 36.162 -39.377 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -24.508 37.078 -38.245 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -23.895 37.711 -37.872 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -23.996 36.606 -38.902 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -23.125 44.826 -35.123 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -23.131 45.705 -35.501 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -23.979 44.743 -34.698 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -13.079 34.405 -36.211 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -13.815 35.016 -36.249 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -12.395 34.820 -36.737 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -20.076 32.492 -38.745 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -20.193 31.543 -38.799 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -20.931 32.824 -38.472 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -15.127 47.900 -41.003 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -14.702 47.193 -41.488 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -14.810 48.701 -41.420 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -13.968 45.801 -42.494 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -14.225 45.111 -43.106 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -13.897 45.358 -41.649 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -12.282 44.367 -34.017 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -12.142 43.776 -34.756 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -12.114 45.240 -34.373 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -17.809 41.329 -44.245 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -18.521 41.864 -44.596 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -17.118 41.385 -44.905 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -10.440 40.707 -35.951 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -11.092 41.402 -35.862 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -9.975 40.917 -36.761 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -14.403 41.539 -43.293 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -15.135 41.767 -42.720 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -13.956 40.825 -42.838 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -22.758 42.169 -41.410 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -23.088 41.799 -42.229 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -22.170 41.499 -41.064 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -21.391 45.597 -38.729 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -21.486 45.019 -39.486 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -20.662 45.226 -38.233 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -22.391 40.938 -37.777 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -21.826 41.059 -38.540 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -22.072 41.575 -37.138 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -24.591 41.535 -33.831 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -24.521 42.186 -33.133 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -25.482 41.638 -34.166 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -17.806 47.438 -42.173 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -17.332 47.733 -41.395 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -18.369 48.176 -42.406 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -23.272 47.409 -32.296 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -23.264 47.273 -33.244 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -24.188 47.291 -32.044 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -27.675 43.602 -35.006 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -28.176 43.574 -35.821 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -27.669 42.696 -34.696 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -9.727 47.048 -32.440 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -9.776 46.093 -32.477 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -10.553 47.316 -32.038 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -25.426 44.925 -33.963 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -25.209 44.564 -33.103 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -26.281 44.551 -34.173 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -22.807 33.395 -37.967 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -23.668 33.308 -38.375 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -22.829 34.251 -37.540 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -18.144 33.117 -34.593 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -17.724 32.702 -33.840 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -19.077 32.939 -34.476 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -22.716 38.361 -36.872 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -23.358 38.320 -36.163 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -22.679 39.287 -37.110 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -17.183 38.998 -43.143 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -17.592 39.813 -43.435 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -16.463 38.858 -43.758 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -16.179 38.444 -40.329 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -16.374 39.049 -41.044 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -15.997 37.610 -40.764 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -24.966 38.681 -35.005 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -25.004 39.081 -34.137 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -25.457 37.864 -34.915 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -20.137 36.009 -40.874 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -21.048 36.066 -40.585 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -19.632 35.949 -40.063 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -12.445 50.916 -31.333 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -12.245 51.340 -32.168 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -11.789 51.259 -30.726 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -24.522 42.693 -39.119 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -23.777 42.691 -39.720 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -24.444 41.869 -38.637 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -27.514 41.154 -33.804 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -27.291 40.736 -32.972 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -28.116 40.541 -34.226 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -10.182 44.089 -32.497 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -11.034 44.327 -32.864 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -9.592 44.072 -33.250 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -22.147 46.211 -41.714 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -21.620 46.984 -41.915 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -23.027 46.436 -42.016 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -20.720 43.874 -42.138 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -20.961 44.799 -42.096 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -21.460 43.415 -41.742 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -20.205 48.023 -35.823 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -19.842 48.878 -36.056 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -19.673 47.731 -35.082 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -14.002 48.674 -33.653 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -14.604 48.119 -34.148 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -13.721 49.341 -34.279 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -25.880 35.907 -34.246 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -26.773 36.246 -34.313 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -25.979 35.052 -33.828 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -13.592 43.724 -44.822 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -13.869 42.996 -44.266 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -12.665 43.843 -44.616 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -12.421 35.921 -33.404 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -13.337 36.184 -33.492 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -12.085 35.918 -34.301 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -13.819 39.672 -39.308 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -14.616 39.257 -39.637 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -13.374 38.981 -38.817 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -12.732 48.928 -37.686 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -12.888 49.606 -38.343 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -11.800 49.000 -37.483 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -27.018 49.599 -31.458 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -26.478 49.382 -30.699 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -27.499 48.793 -31.648 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -22.421 48.518 -29.838 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -21.653 48.059 -29.497 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -22.442 48.292 -30.768 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -27.111 43.409 -30.504 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -26.967 42.507 -30.790 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -27.884 43.695 -30.992 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -26.279 40.609 -31.084 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -25.871 39.752 -31.205 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -26.539 40.624 -30.163 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -22.332 39.618 -33.710 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -22.950 40.293 -33.429 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -21.988 39.939 -34.543 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -21.992 36.973 -32.627 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -21.842 36.244 -33.230 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -21.990 37.750 -33.186 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -21.580 35.343 -35.135 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -21.044 35.794 -35.787 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -22.432 35.235 -35.557 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -23.514 38.171 -30.716 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -24.281 37.639 -30.926 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -22.835 37.861 -31.315 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -20.774 32.799 -34.703 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -20.872 33.746 -34.809 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -21.517 32.427 -35.179 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -15.160 34.882 -30.059 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -15.257 33.930 -30.065 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -15.482 35.151 -29.198 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -25.333 36.092 -31.011 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -25.122 35.385 -31.622 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -25.445 35.654 -30.167 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -20.552 32.093 -32.032 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -19.840 31.453 -32.046 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -20.653 32.360 -32.946 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -20.199 33.776 -29.978 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -20.330 33.300 -30.799 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -20.798 34.520 -30.034 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -10.453 49.145 -34.535 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -10.940 48.410 -34.906 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -9.904 48.752 -33.857 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -10.307 41.245 -42.559 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -11.033 40.766 -42.161 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -9.726 41.451 -41.827 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -10.548 44.030 -37.611 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -9.714 43.652 -37.892 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -10.436 44.973 -37.730 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -12.061 46.908 -35.304 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -12.709 47.233 -34.679 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -12.579 46.468 -35.979 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -12.520 39.766 -41.996 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -12.670 38.821 -42.016 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -12.874 40.047 -41.152 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -12.198 37.930 -38.098 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -11.265 38.142 -38.132 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -12.433 38.032 -37.175 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -12.169 38.667 -35.322 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -13.012 38.935 -34.956 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -11.726 39.489 -35.533 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -10.366 34.756 -31.619 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -11.283 35.027 -31.655 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -10.243 34.221 -32.403 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -13.278 49.668 -41.885 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -12.625 49.321 -42.493 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -12.767 50.157 -41.239 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -25.893 46.597 -31.342 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -26.714 46.772 -31.802 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -26.145 46.524 -30.421 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -22.939 47.572 -35.083 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -23.364 48.381 -35.366 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -22.034 47.657 -35.385 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -18.628 48.971 -32.124 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -18.443 48.637 -31.246 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -17.781 49.280 -32.446 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -16.283 50.256 -32.880 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -15.606 49.624 -33.120 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -15.961 50.658 -32.072 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -11.365 32.846 -33.800 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -12.178 33.171 -34.188 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -11.132 32.086 -34.333 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -18.359 50.316 -36.830 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -18.816 50.845 -37.484 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -18.196 50.919 -36.105 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -16.032 49.194 -35.885 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -16.936 49.359 -36.151 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -15.603 50.047 -35.951 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -13.427 50.764 -35.590 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -13.609 51.680 -35.801 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -13.251 50.354 -36.437 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -21.444 48.631 -38.622 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -21.231 47.743 -38.909 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -21.379 48.597 -37.667 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -17.935 34.295 -39.477 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -18.610 33.666 -39.222 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -17.371 33.811 -40.080 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -12.793 32.402 -39.365 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -12.189 32.950 -39.866 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -13.662 32.722 -39.605 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -15.472 32.886 -40.193 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -15.396 32.981 -41.142 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -15.748 31.978 -40.064 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -15.256 32.126 -30.420 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -15.180 31.700 -29.566 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -14.363 32.140 -30.762 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -12.080 48.199 -31.727 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -12.862 48.013 -32.247 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -12.152 49.128 -31.510 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -16.530 42.085 -22.841 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -16.441 43.029 -22.973 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -17.169 41.810 -23.499 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -17.597 41.340 -19.422 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -17.635 40.694 -18.717 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -17.920 40.874 -20.193 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -25.229 40.955 -17.829 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -25.187 40.329 -17.105 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -24.526 41.578 -17.647 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -13.891 44.279 -21.120 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -14.332 43.559 -20.670 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -13.904 45.000 -20.490 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -16.780 49.384 -20.908 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -16.160 48.707 -21.181 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -16.988 49.166 -20.000 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -19.208 43.773 -19.016 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -18.904 43.087 -19.610 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -18.486 43.891 -18.398 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -16.067 38.167 -18.688 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -15.924 37.220 -18.668 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -16.173 38.374 -19.617 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -22.912 36.268 -21.416 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -22.869 37.128 -21.834 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -23.370 35.716 -22.049 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -24.102 35.186 -17.342 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -24.321 35.716 -18.108 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -24.770 35.413 -16.694 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -13.426 35.690 -21.034 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -13.641 34.924 -20.502 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -12.770 36.162 -20.521 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -24.508 37.078 -19.389 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -23.895 37.711 -19.016 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -23.996 36.606 -20.046 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -13.379 46.119 -18.772 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -14.321 46.177 -18.611 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -13.103 47.025 -18.909 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -15.127 47.900 -22.147 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -14.702 47.193 -22.632 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -14.810 48.701 -22.564 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -17.809 41.329 -25.389 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -18.521 41.864 -25.740 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -17.118 41.385 -26.049 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -10.440 40.707 -17.095 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -11.092 41.402 -17.006 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -9.975 40.917 -17.905 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -14.506 39.713 -15.369 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -14.426 40.476 -14.797 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -15.107 39.992 -16.060 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -16.082 46.441 -18.187 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -16.323 47.103 -17.539 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -16.280 45.607 -17.762 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -17.806 47.438 -23.317 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -17.332 47.733 -22.539 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -18.369 48.176 -23.550 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -10.644 46.817 -28.562 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -10.571 47.756 -28.392 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -9.739 46.512 -28.619 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -18.748 46.622 -14.708 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -18.661 47.448 -14.233 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -19.612 46.292 -14.459 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -15.232 49.548 -27.899 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -14.857 48.804 -28.370 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -15.228 49.278 -26.981 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -15.563 49.474 -25.150 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -16.498 49.574 -24.971 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -15.283 48.765 -24.572 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -18.144 33.117 -15.737 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -17.724 32.702 -14.984 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -19.077 32.939 -15.620 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -18.482 35.610 -28.452 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -18.736 35.629 -27.529 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -18.739 34.738 -28.753 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -22.716 38.361 -18.016 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -23.358 38.320 -17.307 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -22.679 39.287 -18.254 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -17.183 38.998 -24.287 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -17.592 39.813 -24.579 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -16.463 38.858 -24.902 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -16.179 38.444 -21.473 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -16.374 39.049 -22.188 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -15.997 37.610 -21.908 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -24.966 38.681 -16.149 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -25.004 39.081 -15.281 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -25.457 37.864 -16.059 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -21.600 36.055 -29.351 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -22.031 35.610 -28.621 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -22.318 36.427 -29.863 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -28.358 35.797 -22.299 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -27.727 35.768 -21.579 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -27.908 35.372 -23.029 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -27.083 36.543 -26.875 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -26.609 37.134 -27.460 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -27.801 37.074 -26.528 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -16.915 40.082 -16.802 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -16.591 39.451 -17.445 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -17.355 39.547 -16.141 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -20.137 36.009 -22.018 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -21.048 36.066 -21.729 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -19.632 35.949 -21.207 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -21.656 37.638 -25.535 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -20.724 37.767 -25.357 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -21.871 38.308 -26.184 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -15.732 35.244 -18.754 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -16.409 35.375 -18.090 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -16.218 35.089 -19.564 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -22.982 38.833 -27.968 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -23.524 38.453 -28.659 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -22.148 39.027 -28.397 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -18.817 38.797 -20.131 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -18.253 38.250 -20.678 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -18.965 38.275 -19.342 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -23.815 34.933 -23.713 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -24.132 34.031 -23.748 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -23.034 34.935 -24.265 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -20.191 37.185 -17.717 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -21.026 37.639 -17.607 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -19.667 37.461 -16.965 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -12.497 42.531 -17.246 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -11.855 42.988 -17.789 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -13.327 42.644 -17.708 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -15.749 36.212 -27.833 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -16.687 36.324 -27.984 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -15.452 37.069 -27.527 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -18.127 43.582 -14.795 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -18.473 43.201 -13.989 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -18.327 44.516 -14.724 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -15.031 38.079 -26.172 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -14.139 37.942 -25.853 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -14.974 38.870 -26.709 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -20.497 40.671 -12.735 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -20.793 40.505 -13.630 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -19.566 40.451 -12.745 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -15.877 46.044 -14.845 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -16.778 46.227 -15.113 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -15.843 46.303 -13.924 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -10.146 38.289 -26.478 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -10.700 37.893 -27.150 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -10.045 39.199 -26.755 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -11.850 47.075 -26.013 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -12.223 46.249 -25.703 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -11.573 46.892 -26.910 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -14.690 41.883 -18.991 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -15.618 41.651 -19.018 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -14.239 41.106 -19.321 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -26.392 41.073 -28.271 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -25.776 41.700 -27.892 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -27.254 41.389 -28.000 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -16.661 44.122 -17.266 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -17.087 43.895 -16.440 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -16.080 43.384 -17.449 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -9.954 49.531 -27.991 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -9.211 50.117 -28.131 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -10.649 50.099 -27.658 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -25.880 35.907 -15.390 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -26.773 36.246 -15.457 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -25.979 35.052 -14.972 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -17.145 35.648 -16.500 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -16.447 35.722 -15.850 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -17.526 34.784 -16.345 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -16.361 35.300 -25.403 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -16.141 35.772 -26.206 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -15.803 35.695 -24.732 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -19.161 37.028 -24.568 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -18.349 37.532 -24.522 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -19.406 36.883 -23.654 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -18.625 38.014 -15.383 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -18.506 38.588 -14.626 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -17.970 37.326 -15.268 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -22.620 35.172 -26.942 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -22.703 36.061 -26.596 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -21.730 34.907 -26.711 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -13.819 39.672 -20.452 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -14.616 39.257 -20.781 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -13.374 38.981 -19.961 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -26.045 38.264 -28.766 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -26.090 39.203 -28.587 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -26.933 38.028 -29.036 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -15.844 46.898 -12.253 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -16.195 46.042 -12.010 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -15.118 47.041 -11.646 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -14.721 43.295 -14.832 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -13.976 43.883 -14.952 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -15.478 43.877 -14.769 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -22.332 39.618 -14.854 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -22.950 40.293 -14.573 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -21.988 39.939 -15.687 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -17.312 42.089 -11.576 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -16.359 42.173 -11.604 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -17.472 41.378 -10.957 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -21.992 36.973 -13.771 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -21.842 36.244 -14.374 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -21.990 37.750 -14.330 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -21.580 35.343 -16.279 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -21.044 35.794 -16.931 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -22.432 35.235 -16.701 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -19.998 40.782 -16.039 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -19.247 40.626 -16.612 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -20.337 41.634 -16.315 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -14.266 41.386 -12.933 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -14.547 42.095 -13.511 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -13.323 41.313 -13.084 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -23.514 38.171 -11.860 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -24.281 37.639 -12.070 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -22.835 37.861 -12.459 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -20.774 32.799 -15.847 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -20.872 33.746 -15.953 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -21.517 32.427 -16.323 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -25.333 36.092 -12.155 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -25.122 35.385 -12.766 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -25.445 35.654 -11.311 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -20.552 32.093 -13.176 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -19.840 31.453 -13.190 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -20.653 32.360 -14.090 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -20.652 50.659 -27.946 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -19.719 50.817 -27.802 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -20.916 51.334 -28.571 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -12.002 44.935 -11.041 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -12.868 44.830 -10.647 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -11.626 45.694 -10.594 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -10.701 43.192 -25.527 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -9.851 43.613 -25.399 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -10.696 42.452 -24.919 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -10.307 41.245 -23.703 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -11.033 40.766 -23.305 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -9.726 41.451 -22.971 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -10.039 41.146 -27.312 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -10.560 41.503 -28.031 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -10.072 41.821 -26.634 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -12.520 39.766 -23.140 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -12.670 38.821 -23.160 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -12.874 40.047 -22.296 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -11.664 41.736 -13.501 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -11.081 41.002 -13.310 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -11.100 42.508 -13.455 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -10.167 39.639 -12.817 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -11.030 39.260 -12.982 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -9.563 38.900 -12.891 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -12.442 35.794 -29.644 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -11.832 35.422 -29.007 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -13.279 35.372 -29.448 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -12.810 37.349 -24.678 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -12.530 36.442 -24.553 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -12.051 37.783 -25.067 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -12.198 37.930 -19.242 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -11.265 38.142 -19.276 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -12.433 38.032 -18.319 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -27.887 37.115 -12.989 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -26.968 36.993 -12.753 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -28.337 36.365 -12.600 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -26.666 35.427 -20.098 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -26.221 34.635 -19.796 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -26.200 36.143 -19.667 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -28.362 38.426 -19.029 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -27.870 38.205 -19.819 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -28.000 39.267 -18.748 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -10.330 34.679 -28.101 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -9.917 33.958 -28.577 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -9.648 35.349 -28.043 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -28.049 34.684 -24.974 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -28.974 34.893 -25.104 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -27.595 35.168 -25.664 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -13.278 49.668 -23.029 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -12.625 49.321 -23.637 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -12.767 50.157 -22.383 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -28.085 33.422 -16.630 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -28.750 33.176 -15.987 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -28.528 34.044 -17.207 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -18.628 48.971 -13.268 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -18.443 48.637 -12.390 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -17.781 49.280 -13.590 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -25.537 50.828 -16.180 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -26.257 51.268 -16.631 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -25.903 50.577 -15.331 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -18.359 50.316 -17.974 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -18.816 50.845 -18.628 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -18.196 50.919 -17.249 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -16.032 49.194 -17.029 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -16.936 49.359 -17.295 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -15.603 50.047 -17.095 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -12.793 32.402 -20.509 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -12.189 32.950 -21.010 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -13.662 32.722 -20.749 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -11.066 33.541 -22.175 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -10.454 33.027 -22.702 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -10.683 34.419 -22.152 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -25.609 32.929 -22.799 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -26.386 32.695 -23.307 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -25.078 32.132 -22.791 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -15.472 32.886 -21.337 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -15.396 32.981 -22.286 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -15.748 31.978 -21.208 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -19.885 34.936 -26.096 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -19.707 34.290 -25.413 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -19.939 35.770 -25.629 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -18.007 49.885 -27.701 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -17.141 50.251 -27.879 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -18.254 49.445 -28.514 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -11.298 49.448 -25.021 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -11.492 48.700 -25.586 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -11.337 50.206 -25.605 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -25.053 49.595 -29.073 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -25.321 49.882 -28.200 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -24.282 49.049 -28.921 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -16.530 42.085 -3.985 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -16.441 43.029 -4.117 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -17.169 41.810 -4.643 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -17.597 41.340 -0.566 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -17.635 40.694 0.139 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -17.920 40.874 -1.337 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -13.891 44.279 -2.264 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -14.332 43.559 -1.814 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -13.904 45.000 -1.634 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -19.208 43.773 -0.160 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -18.904 43.087 -0.754 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -18.486 43.891 0.458 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -16.733 44.686 -4.942 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -17.029 44.364 -5.793 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -17.057 45.586 -4.900 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -21.533 42.862 1.802 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -22.273 43.460 1.905 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -20.819 43.416 1.486 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -13.379 46.119 0.084 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -14.321 46.177 0.245 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -13.103 47.025 -0.053 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -13.968 45.801 -4.782 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -14.225 45.111 -5.394 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -13.897 45.358 -3.937 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -12.282 44.367 3.695 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -12.142 43.776 2.956 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -12.114 45.240 3.339 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -17.809 41.329 -6.533 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -18.521 41.864 -6.884 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -17.118 41.385 -7.193 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -14.403 41.539 -5.581 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -15.135 41.767 -5.008 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -13.956 40.825 -5.126 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -21.511 45.337 4.652 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -21.823 46.119 5.108 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -22.161 45.184 3.966 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -15.532 40.701 -7.896 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -14.953 40.851 -7.149 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -15.118 41.172 -8.619 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -17.806 47.438 -4.461 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -17.332 47.733 -3.683 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -18.369 48.176 -4.694 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -23.272 47.409 5.416 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -23.264 47.273 4.468 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -24.188 47.291 5.668 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -18.748 46.622 4.148 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -18.661 47.448 4.623 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -19.612 46.292 4.397 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -18.334 50.394 -6.046 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -18.409 50.273 -6.992 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -18.301 51.344 -5.927 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -15.563 49.474 -6.294 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -16.498 49.574 -6.115 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -15.283 48.765 -5.716 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -14.055 41.734 -10.266 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -14.013 41.511 -11.196 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -13.206 42.132 -10.076 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -24.847 43.390 5.987 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -24.114 43.644 6.548 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -25.627 43.594 6.502 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -12.497 42.531 1.610 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -11.855 42.988 1.067 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -13.327 42.644 1.148 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -18.127 43.582 4.061 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -18.473 43.201 4.867 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -18.327 44.516 4.132 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -17.521 44.857 -8.151 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -17.816 45.683 -7.769 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -18.224 44.237 -7.955 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -20.497 40.671 6.121 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -20.793 40.505 5.226 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -19.566 40.451 6.111 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -10.182 44.089 5.215 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -11.034 44.327 4.848 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -9.592 44.072 4.462 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -14.690 41.883 -0.135 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -15.618 41.651 -0.162 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -14.239 41.106 -0.465 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -20.205 48.023 1.889 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -19.842 48.878 1.656 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -19.673 47.731 2.630 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -16.661 44.122 1.590 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -17.087 43.895 2.416 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -16.080 43.384 1.407 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -14.458 45.051 -9.336 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -14.105 44.671 -8.532 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -15.407 44.958 -9.250 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -25.880 35.907 3.466 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -26.773 36.246 3.399 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -25.979 35.052 3.884 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -13.592 43.724 -7.110 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -13.869 42.996 -6.554 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -12.665 43.843 -6.904 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -18.692 47.431 -7.684 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -19.509 47.928 -7.631 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -18.163 47.906 -8.324 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -26.045 38.264 -9.910 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -26.090 39.203 -9.731 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -26.933 38.028 -10.180 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -27.018 49.599 6.254 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -26.478 49.382 7.013 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -27.499 48.793 6.064 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -18.329 48.026 -10.751 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.973 47.395 -10.429 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -17.567 47.495 -10.983 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -27.111 43.409 7.208 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -26.967 42.507 6.922 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -27.884 43.695 6.720 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -17.418 44.800 -10.924 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -17.686 44.980 -10.023 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -17.624 43.874 -11.055 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -14.721 43.295 4.024 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -13.976 43.883 3.904 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -15.478 43.877 4.087 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -22.332 39.618 4.002 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -22.950 40.293 4.283 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -21.988 39.939 3.169 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -17.312 42.089 7.280 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -16.359 42.173 7.252 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -17.472 41.378 7.899 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -11.160 42.323 -10.646 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -11.433 41.898 -11.459 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -11.120 43.254 -10.863 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -21.992 36.973 5.085 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -21.842 36.244 4.482 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -21.990 37.750 4.526 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -19.998 40.782 2.817 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -19.247 40.626 2.244 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -20.337 41.634 2.541 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -15.582 38.597 7.845 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -15.390 37.666 7.734 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -14.725 39.022 7.835 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -14.266 41.386 5.923 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -14.547 42.095 5.345 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -13.323 41.313 5.772 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -23.514 38.171 6.996 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -24.281 37.639 6.786 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -22.835 37.861 6.397 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -25.333 36.092 6.701 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -25.122 35.385 6.090 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -25.445 35.654 7.545 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -20.199 33.776 7.734 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -20.330 33.300 6.913 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -20.798 34.520 7.678 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.652 50.659 -9.090 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -19.719 50.817 -8.946 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -20.916 51.334 -9.715 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -10.701 43.192 -6.671 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -9.851 43.613 -6.543 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -10.696 42.452 -6.063 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -10.307 41.245 -4.847 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -11.033 40.766 -4.449 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -9.726 41.451 -4.115 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -10.548 44.030 0.101 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -9.714 43.652 -0.180 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -10.436 44.973 -0.018 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -10.039 41.146 -8.456 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -10.560 41.503 -9.175 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -10.072 41.821 -7.778 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -11.664 41.736 5.355 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -11.081 41.002 5.546 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -11.100 42.508 5.401 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -10.167 39.639 6.039 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -11.030 39.260 5.874 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -9.563 38.900 5.965 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -27.887 37.115 5.867 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -26.968 36.993 6.103 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -28.337 36.365 6.256 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -9.886 32.647 7.744 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -9.536 31.993 7.138 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -9.739 33.484 7.304 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -10.366 34.756 6.093 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -11.283 35.027 6.057 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -10.243 34.221 5.309 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -25.893 46.597 6.370 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -26.714 46.772 5.910 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -26.145 46.524 7.291 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -23.070 50.428 1.706 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -23.935 50.500 2.110 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -23.125 50.975 0.922 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -18.359 50.316 0.882 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -18.816 50.845 0.228 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -18.196 50.919 1.607 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -21.444 48.631 -0.910 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -21.231 47.743 -1.197 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -21.379 48.597 0.045 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -18.007 49.885 -8.845 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -17.141 50.251 -9.023 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -18.254 49.445 -9.658 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -10.545 35.374 19.557 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -10.496 35.984 20.293 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -10.119 35.835 18.834 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -22.912 36.268 16.296 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -22.869 37.128 15.878 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -23.370 35.716 15.663 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -15.190 36.399 14.697 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -14.544 36.070 15.322 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -14.680 36.917 14.074 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -13.426 35.690 16.678 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -13.641 34.924 17.210 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -12.770 36.162 17.191 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -13.079 34.405 20.357 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -13.815 35.016 20.319 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -12.395 34.820 19.831 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -20.076 32.492 17.823 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -20.193 31.543 17.769 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -20.931 32.824 18.096 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -17.755 39.787 9.362 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -17.054 39.809 10.013 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -17.453 39.159 8.706 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -15.532 40.701 10.960 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -14.953 40.851 11.707 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -15.118 41.172 10.237 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -11.834 32.451 10.773 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -12.733 32.590 11.068 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -11.582 33.282 10.371 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -22.807 33.395 18.601 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -23.668 33.308 18.193 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -22.829 34.251 19.028 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -14.055 41.734 8.590 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -14.013 41.511 7.660 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -13.206 42.132 8.780 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -18.482 35.610 9.260 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -18.736 35.629 10.183 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -18.739 34.738 8.959 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -22.719 38.582 14.608 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -23.612 38.241 14.549 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -22.268 38.205 13.852 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -21.600 36.055 8.361 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -22.031 35.610 9.091 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -22.318 36.427 7.849 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -28.358 35.797 15.413 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -27.727 35.768 16.133 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -27.908 35.372 14.683 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -27.083 36.543 10.837 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -26.609 37.134 10.252 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -27.801 37.074 11.184 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -20.137 36.009 15.694 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -21.048 36.066 15.983 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -19.632 35.949 16.505 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -25.309 37.638 14.521 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -26.198 37.738 14.181 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -25.013 36.796 14.175 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -21.656 37.638 12.177 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -20.724 37.767 12.355 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -21.871 38.308 11.528 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -15.732 35.244 18.958 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -16.409 35.375 19.622 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -16.218 35.089 18.148 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -22.982 38.833 9.744 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -23.524 38.453 9.053 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -22.148 39.027 9.315 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -23.815 34.933 13.999 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -24.132 34.031 13.964 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -23.034 34.935 13.447 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -15.749 36.212 9.879 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -16.687 36.324 9.728 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -15.452 37.069 10.185 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -15.031 38.079 11.540 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -14.139 37.942 11.859 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -14.974 38.870 11.003 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -26.392 41.073 9.441 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -25.776 41.700 9.820 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -27.254 41.389 9.712 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -16.361 35.300 12.309 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -16.141 35.772 11.506 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -15.803 35.695 12.980 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -19.161 37.028 13.144 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -18.349 37.532 13.190 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -19.406 36.883 14.058 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -18.277 34.109 14.082 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -18.624 34.727 14.727 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -17.619 34.610 13.601 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -26.045 38.264 8.946 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -26.090 39.203 9.125 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -26.933 38.028 8.676 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -25.237 33.046 17.619 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -25.466 33.105 16.692 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -25.680 32.254 17.926 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -22.770 43.753 8.196 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -22.706 42.959 8.727 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -22.117 43.634 7.507 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -20.550 39.968 8.765 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -20.730 39.814 7.837 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -19.599 40.076 8.809 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -11.160 42.323 8.210 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -11.433 41.898 7.397 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -11.120 43.254 7.993 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -27.084 45.295 9.249 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -26.170 45.374 9.522 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -27.077 44.608 8.582 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -11.690 38.386 8.951 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -11.593 39.053 8.271 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -11.830 37.570 8.469 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -12.442 35.794 8.068 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -11.832 35.422 8.705 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -13.279 35.372 8.264 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -12.196 34.612 13.083 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -12.014 34.163 13.908 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -12.796 34.027 12.619 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -26.666 35.427 17.614 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -26.221 34.635 17.916 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -26.200 36.143 18.045 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -10.330 34.679 9.611 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -9.917 33.958 9.135 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -9.648 35.349 9.669 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -28.049 34.684 12.738 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -28.974 34.893 12.608 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -27.595 35.168 12.048 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -11.365 32.846 22.768 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -12.178 33.171 22.380 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -11.132 32.086 22.235 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -17.935 34.295 17.091 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -18.610 33.666 17.346 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -17.371 33.811 16.488 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -11.066 33.541 15.537 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -10.454 33.027 15.010 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -10.683 34.419 15.560 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -14.119 32.912 12.068 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -14.822 33.526 11.858 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -14.564 32.074 12.199 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -20.552 50.949 -32.032 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -19.840 50.309 -32.046 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -20.653 51.216 -32.946 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -20.199 52.632 -29.978 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -20.330 52.156 -30.799 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -20.798 53.376 -30.034 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -23.678 51.650 -30.602 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -22.779 51.376 -30.787 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -24.064 50.907 -30.138 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -15.256 50.982 -30.420 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -15.180 50.556 -29.566 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -14.363 50.996 -30.762 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -22.912 55.124 -21.416 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -22.869 55.984 -21.834 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -23.370 54.572 -22.049 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -24.102 54.042 -17.342 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -24.321 54.572 -18.108 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -24.770 54.269 -16.694 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -20.076 51.348 -19.889 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -20.193 50.399 -19.943 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -20.931 51.680 -19.616 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -11.834 51.307 -26.939 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -12.733 51.446 -26.644 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -11.582 52.138 -27.341 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -22.807 52.251 -19.111 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -23.668 52.164 -19.519 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -22.829 53.107 -18.684 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -18.144 51.973 -15.737 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -17.724 51.558 -14.984 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -19.077 51.795 -15.620 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -18.482 54.466 -28.452 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -18.736 54.485 -27.529 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -18.739 53.594 -28.753 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -28.358 54.653 -22.299 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -27.727 54.624 -21.579 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -27.908 54.228 -23.029 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -20.137 54.865 -22.018 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -21.048 54.922 -21.729 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -19.632 54.805 -21.207 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -21.656 56.494 -25.535 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -20.724 56.623 -25.357 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -21.871 57.164 -26.184 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -23.815 53.789 -23.713 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -24.132 52.887 -23.748 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -23.034 53.791 -24.265 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -25.880 54.763 -15.390 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -26.773 55.102 -15.457 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -25.979 53.908 -14.972 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -16.361 54.156 -25.403 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -16.141 54.628 -26.206 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -15.803 54.551 -24.732 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -19.161 55.884 -24.568 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -18.349 56.388 -24.522 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -19.406 55.739 -23.654 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -18.277 52.965 -23.630 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -18.624 53.583 -22.985 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -17.619 53.466 -24.111 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -22.620 54.028 -26.942 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -22.703 54.917 -26.596 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -21.730 53.763 -26.711 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -25.237 51.902 -20.093 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -25.466 51.961 -21.020 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -25.680 51.110 -19.786 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -21.580 54.199 -16.279 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -21.044 54.650 -16.931 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -22.432 54.091 -16.701 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -20.774 51.655 -15.847 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -20.872 52.602 -15.953 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -21.517 51.283 -16.323 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -25.333 54.948 -12.155 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -25.122 54.241 -12.766 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -25.445 54.510 -11.311 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -20.552 50.949 -13.176 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -19.840 50.309 -13.190 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -20.653 51.216 -14.090 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -20.199 52.632 -11.122 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -20.330 52.156 -11.943 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -20.798 53.376 -11.178 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -27.887 55.971 -12.989 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -26.968 55.849 -12.753 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -28.337 55.221 -12.600 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -26.666 54.283 -20.098 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -26.221 53.491 -19.796 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -26.200 54.999 -19.667 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -28.049 53.540 -24.974 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -28.974 53.749 -25.104 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -27.595 54.024 -25.664 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -17.935 53.151 -20.621 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -18.610 52.522 -20.366 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -17.371 52.667 -21.224 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -25.609 51.785 -22.799 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -26.386 51.551 -23.307 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -25.078 50.988 -22.791 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -26.772 51.583 -26.996 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -26.333 52.194 -27.587 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -27.406 52.121 -26.522 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -15.472 51.742 -21.337 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -15.396 51.837 -22.286 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -15.748 50.834 -21.208 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -14.119 51.768 -25.644 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -14.822 52.382 -25.854 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -14.564 50.930 -25.513 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -24.911 53.499 -28.553 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -24.420 52.869 -29.081 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -24.288 53.795 -27.890 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -19.885 53.792 -26.096 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -19.707 53.146 -25.413 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -19.939 54.626 -25.629 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -25.651 52.299 -13.282 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -26.017 51.534 -12.839 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -24.738 52.328 -12.995 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -23.678 51.650 -11.746 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -22.779 51.376 -11.931 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -24.064 50.907 -11.282 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -24.102 54.042 1.514 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -24.321 54.572 0.748 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -24.770 54.269 2.162 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -20.076 51.348 -1.033 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -20.193 50.399 -1.087 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -20.931 51.680 -0.760 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -22.807 52.251 -0.255 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -23.668 52.164 -0.663 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -22.829 53.107 0.172 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -28.358 54.653 -3.443 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -27.727 54.624 -2.723 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -27.908 54.228 -4.173 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -27.083 55.399 -8.019 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -26.609 55.990 -8.604 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -27.801 55.930 -7.672 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -23.815 53.789 -4.857 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -24.132 52.887 -4.892 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -23.034 53.791 -5.409 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -25.880 54.763 3.466 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -26.773 55.102 3.399 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -25.979 53.908 3.884 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -22.620 54.028 -8.086 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -22.703 54.917 -7.740 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -21.730 53.763 -7.855 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -25.237 51.902 -1.237 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -25.466 51.961 -2.164 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -25.680 51.110 -0.930 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -20.774 51.655 3.009 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -20.872 52.602 2.903 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -21.517 51.283 2.533 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -26.666 54.283 -1.242 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -26.221 53.491 -0.940 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -26.200 54.999 -0.811 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -28.049 53.540 -6.118 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -28.974 53.749 -6.248 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -27.595 54.024 -6.808 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -28.085 52.278 2.226 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -28.750 52.032 2.869 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -28.528 52.900 1.649 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -25.609 51.785 -3.943 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -26.386 51.551 -4.451 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -25.078 50.988 -3.935 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -26.772 51.583 -8.140 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -26.333 52.194 -8.731 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -27.406 52.121 -7.666 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -21.029 51.712 -4.130 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -20.155 52.100 -4.160 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -21.165 51.497 -3.207 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -24.911 53.499 -9.697 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -24.420 52.869 -10.225 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -24.288 53.795 -9.034 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -19.885 53.792 -7.240 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -19.707 53.146 -6.557 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -19.939 54.626 -6.773 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -25.651 52.299 5.574 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -26.017 51.534 6.017 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -24.738 52.328 5.861 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 2.326 -14.483 14.871 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 2.415 -13.539 14.739 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 1.687 -14.758 14.213 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 1.259 -15.228 18.290 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 1.221 -15.874 18.995 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 0.936 -15.694 17.519 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 4.965 -12.289 16.592 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 4.524 -13.009 17.042 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 4.952 -11.568 17.222 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -5.449 -11.163 18.418 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -5.819 -11.965 18.049 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -4.508 -11.332 18.465 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -2.280 -16.353 16.274 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -1.664 -16.879 16.783 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -2.866 -16.993 15.870 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 2.123 -11.882 13.914 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 1.827 -12.204 13.063 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 1.799 -10.982 13.956 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -2.677 -13.706 20.658 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -3.417 -13.108 20.761 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -1.963 -13.152 20.342 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -4.269 -11.742 21.445 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -4.275 -10.863 21.067 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -5.123 -11.825 21.870 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 5.477 -10.449 18.940 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 4.535 -10.391 19.101 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 5.753 -9.543 18.803 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 4.888 -10.767 14.074 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 4.631 -11.457 13.462 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 4.959 -11.210 14.919 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 6.574 -12.201 22.551 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 6.714 -12.792 21.812 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 6.742 -11.328 22.195 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 4.350 -16.855 22.343 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 4.430 -16.092 22.915 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 3.749 -16.576 21.652 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -3.902 -14.399 15.158 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -4.232 -14.769 14.339 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -3.314 -15.069 15.504 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -3.535 -15.630 18.791 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -2.970 -15.509 18.028 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -3.216 -14.993 19.430 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -5.735 -15.033 22.737 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -5.665 -14.382 23.435 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -6.626 -14.930 22.402 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 1.050 -9.130 14.395 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 1.524 -8.835 15.173 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 0.487 -8.392 14.162 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -4.416 -9.159 24.272 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -4.408 -9.295 23.324 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -5.332 -9.277 24.524 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -9.068 -10.186 18.446 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -8.122 -10.330 18.427 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -9.181 -9.402 18.983 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 9.129 -9.520 24.128 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 9.080 -10.475 24.091 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 8.303 -9.252 24.530 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -5.824 -7.385 14.591 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -5.672 -7.733 15.470 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -6.675 -7.741 14.336 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 3.624 -7.020 9.813 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 3.999 -7.764 9.342 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 3.628 -7.290 10.731 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -6.570 -11.643 22.605 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -6.353 -12.004 23.465 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -7.425 -12.017 22.395 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 0.775 -17.395 24.913 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 0.212 -18.099 25.233 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 1.601 -17.515 25.380 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 1.941 -16.486 20.910 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 2.265 -17.117 20.267 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 1.501 -17.021 21.571 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -5.991 -13.178 24.843 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -5.258 -12.924 25.404 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -6.771 -12.974 25.358 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 6.359 -14.037 20.466 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 7.001 -13.580 19.923 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 5.529 -13.924 20.004 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -5.666 -13.875 17.449 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -4.921 -13.877 16.848 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -5.588 -14.699 17.931 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 8.674 -12.479 24.071 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 7.822 -12.241 23.704 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 9.264 -12.496 23.318 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 7.006 -9.493 11.699 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 6.633 -10.319 12.009 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 7.283 -9.676 10.802 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 4.166 -14.685 18.721 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 3.238 -14.917 18.694 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 4.617 -15.462 18.391 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -3.291 -10.357 14.854 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -2.764 -9.584 14.653 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -4.171 -10.132 14.552 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -1.864 -12.694 14.430 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -2.105 -11.769 14.472 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -2.604 -13.153 14.826 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -3.180 -7.672 13.975 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -4.130 -7.567 14.027 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -2.829 -6.852 14.320 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 8.902 -7.037 9.721 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 9.645 -6.451 9.581 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 8.207 -6.469 10.054 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -7.373 -8.856 20.757 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -7.156 -9.788 20.726 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -7.126 -8.582 21.641 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 0.164 -9.137 11.172 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -0.653 -8.640 11.225 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 0.693 -8.662 10.532 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 0.231 -18.554 22.329 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 0.350 -17.980 23.086 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 0.886 -19.242 22.444 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -2.498 -8.094 11.154 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -2.337 -7.294 10.653 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -2.695 -7.787 12.039 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 6.124 -7.640 18.882 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 5.968 -6.962 18.225 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 7.056 -7.568 19.085 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -8.162 -6.969 25.110 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -7.622 -7.186 25.869 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -8.643 -7.775 24.920 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 5.131 -8.725 8.339 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 5.414 -9.519 8.792 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 5.871 -8.492 7.778 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -8.255 -13.159 26.064 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -8.111 -14.061 25.778 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -9.028 -12.873 25.576 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -7.423 -15.959 25.484 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -7.015 -16.816 25.363 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -7.683 -15.944 26.405 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -3.476 -16.950 22.858 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -4.094 -16.275 23.139 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -3.132 -16.629 22.025 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -3.136 -19.595 23.941 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -2.986 -20.324 23.338 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -3.134 -18.818 23.382 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -1.142 -15.786 21.673 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -0.391 -15.942 21.100 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -1.481 -14.934 21.397 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 3.274 -17.971 26.701 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 3.466 -18.902 26.590 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 4.131 -17.546 26.691 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 4.590 -15.182 24.779 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 4.309 -14.473 24.201 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 5.533 -15.255 24.628 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -4.658 -18.397 25.852 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -5.425 -18.929 25.642 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -3.979 -18.707 25.253 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -0.654 -19.447 25.428 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -0.890 -19.667 26.330 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -1.437 -19.654 24.919 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 2.062 -20.320 24.504 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 1.114 -20.288 24.636 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 2.374 -20.945 25.158 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -1.796 -5.909 9.766 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -0.863 -5.751 9.910 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -2.060 -5.234 9.141 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -8.709 -7.799 16.131 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -9.043 -8.680 16.303 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -8.487 -7.454 16.995 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 8.840 -6.990 19.111 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 8.818 -6.805 20.050 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 9.530 -6.421 18.770 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 8.403 -7.423 22.033 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 7.916 -8.158 21.662 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 8.952 -7.816 22.711 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 6.795 -9.660 21.264 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 6.147 -9.335 21.889 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 6.277 -10.100 20.589 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 7.192 -14.832 24.211 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 7.775 -15.566 24.402 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 7.756 -14.060 24.257 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -7.037 -9.971 25.226 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -7.858 -9.796 24.766 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -7.289 -10.044 26.147 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -6.681 -5.740 21.532 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -7.401 -5.300 21.081 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -7.047 -5.991 22.381 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -7.266 -7.117 18.443 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -7.285 -7.542 19.300 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -6.461 -7.435 18.034 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -5.125 -8.407 17.098 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -5.344 -9.323 17.267 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -4.301 -8.267 17.564 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 0.849 -6.683 10.011 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 1.715 -6.317 9.833 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 0.602 -7.123 9.198 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 7.558 -7.120 12.691 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 7.364 -7.868 12.126 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 7.519 -6.362 12.107 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 4.965 -12.289 35.448 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 4.524 -13.009 35.898 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 4.952 -11.568 36.078 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 2.076 -7.184 35.660 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 2.696 -7.861 35.387 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 1.868 -7.402 36.568 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 2.123 -11.882 32.770 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 1.827 -12.204 31.919 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 1.799 -10.982 32.812 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 5.477 -10.449 37.796 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 4.535 -10.391 37.957 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 5.753 -9.543 37.659 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 3.729 -8.668 34.421 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 4.154 -9.375 33.936 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 4.046 -7.867 34.004 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 4.888 -10.767 32.930 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 4.631 -11.457 32.318 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 4.959 -11.210 33.775 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 1.047 -15.239 31.179 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 0.335 -14.704 30.828 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 1.738 -15.183 30.519 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 1.101 -16.781 28.218 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 1.802 -16.759 28.869 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 1.403 -17.409 27.562 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 4.453 -15.029 32.131 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 3.721 -14.801 32.704 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 4.900 -15.743 32.586 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 3.324 -15.867 29.816 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 3.903 -15.717 30.563 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 3.738 -15.396 29.093 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 1.050 -9.130 33.251 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 1.524 -8.835 34.029 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 0.487 -8.392 33.018 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -4.912 -15.329 31.603 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -5.204 -14.561 31.112 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -5.586 -15.989 31.440 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 0.522 -6.174 31.666 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 0.447 -6.295 30.720 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 0.555 -5.224 31.785 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 4.801 -14.834 27.446 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 4.843 -15.057 26.516 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 5.650 -14.436 27.636 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -2.744 -20.513 27.217 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -3.175 -20.958 27.947 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -3.462 -20.141 26.705 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -4.126 -17.735 28.600 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -4.668 -18.115 27.909 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -3.292 -17.541 28.171 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -0.791 -13.170 30.536 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -1.535 -13.677 30.213 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -0.925 -13.121 31.482 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -3.291 -10.357 33.710 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -2.764 -9.584 33.509 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -4.171 -10.132 33.408 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -7.536 -15.495 28.297 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -6.920 -14.868 28.676 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -8.398 -15.179 28.568 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -1.864 -12.694 33.286 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -2.105 -11.769 33.328 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -2.604 -13.153 33.682 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -3.180 -7.672 32.831 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -4.130 -7.567 32.883 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -2.829 -6.852 33.176 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 5.264 -12.844 30.602 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 4.987 -13.572 31.158 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 6.191 -12.725 30.808 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -6.121 -13.582 29.789 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -6.807 -13.230 30.356 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -5.598 -12.819 29.543 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -2.498 -8.094 30.010 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -2.337 -7.294 29.509 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -2.695 -7.787 30.895 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -5.505 -10.968 28.686 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -4.913 -10.269 28.962 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -5.046 -11.401 27.967 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 6.124 -7.640 37.738 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 5.968 -6.962 37.081 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 7.056 -7.568 37.941 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -2.765 -14.843 29.358 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -3.224 -15.327 30.044 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -2.510 -15.511 28.722 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -1.694 -16.600 27.621 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -1.874 -16.754 26.693 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -0.743 -16.492 27.665 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 7.696 -14.245 27.066 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 7.423 -14.670 26.253 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 7.736 -13.314 26.849 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -1.796 -5.909 28.622 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -0.863 -5.751 28.766 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -2.060 -5.234 27.997 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -8.228 -11.273 28.105 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -7.314 -11.194 28.378 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -8.221 -11.960 27.438 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 8.840 -6.990 37.967 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 8.818 -6.805 38.906 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 9.530 -6.421 37.626 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 8.155 -13.376 31.041 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 9.005 -12.955 31.169 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 8.160 -14.116 31.649 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 8.817 -15.422 29.256 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 8.296 -15.065 28.537 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 8.784 -14.747 29.934 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -6.197 -6.973 27.495 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -6.465 -6.686 28.368 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -5.426 -7.519 27.647 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -2.677 5.150 1.802 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -3.417 5.748 1.905 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -1.963 5.704 1.486 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -4.269 7.114 2.589 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -4.275 7.993 2.211 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -5.123 7.031 3.014 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 6.574 6.655 3.695 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 6.714 6.064 2.956 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 6.742 7.528 3.339 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 4.350 2.001 3.487 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 4.430 2.764 4.059 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 3.749 2.280 2.796 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 2.774 8.729 0.669 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 2.533 9.391 1.317 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 2.576 7.895 1.094 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -4.416 9.697 5.416 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -4.408 9.561 4.468 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -5.332 9.579 5.668 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -5.824 11.471 -4.265 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -5.672 11.123 -3.386 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -6.675 11.115 -4.520 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 6.281 0.829 5.752 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 5.874 1.310 5.032 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 6.322 -0.076 5.445 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -6.570 7.213 3.749 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -6.353 6.852 4.609 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -7.425 6.839 3.539 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 4.038 -0.839 3.973 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 3.524 -0.965 4.770 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 3.883 0.073 3.728 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 1.941 2.370 2.054 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 2.265 1.739 1.411 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 1.501 1.835 2.715 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 6.411 13.204 6.379 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 6.611 13.628 5.544 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 7.067 13.547 6.986 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -5.991 5.678 5.987 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -5.258 5.932 6.548 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -6.771 5.882 6.502 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 0.729 5.870 4.061 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 0.383 5.489 4.867 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 0.529 6.804 4.132 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 2.979 8.332 4.011 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 2.078 8.515 3.743 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 3.013 8.591 4.932 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -1.349 10.311 1.889 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -0.986 11.166 1.656 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -0.817 10.019 2.630 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 2.195 6.410 1.590 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 1.769 6.183 2.416 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 2.776 5.672 1.407 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 4.854 10.962 4.059 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 4.252 10.407 3.564 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 5.135 11.629 3.433 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -7.373 10.000 1.901 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -7.156 9.068 1.870 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -7.126 10.274 2.785 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 0.231 0.302 3.473 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 0.350 0.876 4.230 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 0.886 -0.386 3.588 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -8.162 11.887 6.254 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -7.622 11.670 7.013 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -8.643 11.081 6.064 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -1.600 5.667 6.641 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -1.928 5.938 5.783 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -1.448 4.726 6.553 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 4.135 5.583 4.024 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 4.880 6.171 3.904 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 3.378 6.165 4.087 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -7.423 2.897 6.628 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -7.015 2.040 6.507 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -7.683 2.912 7.549 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -3.476 1.906 4.002 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -4.094 2.581 4.283 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -3.132 2.227 3.169 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -3.136 -0.739 5.085 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -2.986 -1.468 4.482 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -3.134 0.038 4.526 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -1.142 3.070 2.817 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -0.391 2.914 2.244 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -1.481 3.922 2.541 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 4.590 3.674 5.923 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 4.309 4.383 5.345 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 5.533 3.601 5.772 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -4.658 0.459 6.996 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -5.425 -0.073 6.786 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -3.979 0.149 6.397 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 2.062 -1.464 5.648 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 1.114 -1.432 5.780 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 2.374 -2.089 6.302 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 3.696 -2.830 7.653 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 3.599 -3.782 7.647 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 3.374 -2.561 8.514 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -6.477 -1.620 6.701 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -6.266 -2.327 6.090 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -6.589 -2.058 7.545 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -1.696 -5.619 5.680 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -0.984 -6.259 5.666 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -1.797 -5.352 4.766 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -1.343 -3.936 7.734 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -1.474 -4.412 6.913 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -1.942 -3.192 7.678 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -9.579 12.976 -4.530 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -10.226 12.514 -5.063 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -9.224 12.304 -3.947 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -8.709 11.057 -2.725 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -9.043 10.176 -2.553 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -8.487 11.402 -1.861 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 6.854 7.223 7.815 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 5.988 7.118 8.209 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 7.230 7.982 8.262 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 7.192 4.024 5.355 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 7.775 3.290 5.546 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 7.756 4.796 5.401 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -7.037 8.885 6.370 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -7.858 9.060 5.910 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -7.289 8.812 7.291 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -4.083 9.860 2.629 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -4.508 10.669 2.346 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -3.178 9.945 2.327 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 2.573 12.544 4.832 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 3.250 11.912 4.592 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 2.895 12.946 5.640 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -6.681 13.116 2.676 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -7.401 13.556 2.225 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -7.047 12.865 3.525 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -4.214 12.716 1.706 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -5.079 12.788 2.110 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -4.269 13.263 0.922 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 0.497 12.604 0.882 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 0.040 13.133 0.228 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 0.660 13.207 1.607 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 2.824 11.482 1.827 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 1.920 11.647 1.561 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 3.253 12.335 1.761 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -7.266 11.739 -0.413 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -7.285 11.314 0.444 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -6.461 11.421 -0.822 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -5.125 10.449 -1.758 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -5.344 9.533 -1.589 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -4.301 10.589 -1.292 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -2.588 10.919 -0.910 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -2.375 10.031 -1.197 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -2.523 10.885 0.045 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -8.015 10.963 -7.242 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -8.700 10.925 -7.910 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -8.012 11.876 -6.954 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 3.600 -5.586 7.292 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 3.676 -6.012 8.146 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 4.493 -5.572 6.950 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 6.776 10.487 5.985 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 5.994 10.301 5.465 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 6.704 11.416 6.202 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -6.373 3.243 19.883 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -6.331 2.617 20.607 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -5.670 3.866 20.065 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -5.449 7.693 18.418 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -5.819 6.891 18.049 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -4.508 7.524 18.465 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 2.076 11.672 16.804 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 2.696 10.995 16.531 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 1.868 11.454 17.712 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -4.056 -1.444 16.296 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -4.013 -0.584 15.878 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -4.514 -1.996 15.663 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -7.436 0.953 17.058 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -6.782 0.403 17.490 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -7.412 0.679 16.142 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 8.703 -0.860 21.793 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 8.014 -0.202 21.698 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 8.718 -1.057 22.730 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -2.677 5.150 20.658 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -3.417 5.748 20.761 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -1.963 5.704 20.342 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -4.269 7.114 21.445 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -4.275 7.993 21.067 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -5.123 7.031 21.870 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -8.148 6.785 12.227 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -8.420 7.014 11.338 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -8.103 7.623 12.687 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 5.477 8.407 18.940 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 4.535 8.465 19.101 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 5.753 9.313 18.803 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 3.729 10.188 15.565 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 4.154 9.481 15.080 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 4.046 10.989 15.148 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 6.574 6.655 22.551 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 6.714 6.064 21.812 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 6.742 7.528 22.195 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 8.416 2.995 20.617 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 7.764 3.690 20.706 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 8.881 3.205 19.807 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -3.902 4.457 15.158 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -4.232 4.087 14.339 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -3.314 3.787 15.504 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -2.535 7.885 17.839 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -2.630 7.307 17.082 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -1.806 7.514 18.335 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -3.535 3.226 18.791 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -2.970 3.347 18.028 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -3.216 3.863 19.430 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 2.774 8.729 19.525 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 2.533 9.391 20.173 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 2.576 7.895 19.950 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -5.735 3.823 22.737 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -5.665 4.474 23.435 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -6.626 3.926 22.402 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 7.022 -5.261 10.773 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 6.123 -5.122 11.068 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 7.274 -4.430 10.371 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -4.912 3.527 12.747 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -5.204 4.295 12.256 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -5.586 2.867 12.584 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 8.212 9.105 9.150 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 8.285 10.044 9.320 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 9.117 8.800 9.093 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -9.068 8.670 18.446 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -8.122 8.526 18.427 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -9.181 9.454 18.983 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 4.801 4.022 8.590 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 4.843 3.799 7.660 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 5.650 4.420 8.780 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 0.775 1.461 24.913 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 0.212 0.757 25.233 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 1.601 1.341 25.380 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -6.110 0.969 21.563 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -6.148 1.369 22.431 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -6.601 0.152 21.653 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -2.744 -1.657 8.361 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -3.175 -2.102 9.091 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -3.462 -1.285 7.849 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 1.941 2.370 20.910 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 2.265 1.739 20.267 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 1.501 1.835 21.571 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -6.453 -0.074 14.521 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -7.342 0.026 14.181 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -6.157 -0.916 14.175 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -4.959 -2.779 13.999 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -5.276 -3.681 13.964 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -4.178 -2.777 13.447 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 6.359 4.819 20.466 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 7.001 5.276 19.923 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 5.529 4.932 20.004 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 0.729 5.870 22.917 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 0.383 5.489 23.723 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 0.529 6.804 22.988 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -5.666 4.981 17.449 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -4.921 4.979 16.848 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -5.588 4.157 17.931 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -8.658 3.442 22.764 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -8.435 3.024 23.596 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -9.260 2.829 22.342 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -1.641 2.959 24.977 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -1.937 2.793 24.082 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -0.710 2.739 24.967 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 2.979 8.332 22.867 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 2.078 8.515 22.599 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 3.013 8.591 23.788 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 8.710 0.577 11.234 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 8.156 0.181 10.562 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 8.811 1.487 10.957 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 7.006 9.363 11.699 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 6.633 8.537 12.009 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 7.283 9.180 10.802 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -7.536 3.361 9.441 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -6.920 3.988 9.820 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -8.398 3.677 9.712 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -1.349 10.311 20.745 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -0.986 11.166 20.512 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -0.817 10.019 21.486 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 2.195 6.410 20.446 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 1.769 6.183 21.272 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 2.776 5.672 20.263 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -7.373 10.000 20.757 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -7.156 9.068 20.726 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -7.126 10.274 21.641 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -6.121 5.274 10.933 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -6.807 5.626 11.500 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -5.598 6.037 10.687 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -3.764 -2.540 10.770 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -3.847 -1.651 11.116 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -2.874 -2.805 11.001 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -5.505 7.888 9.830 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -4.913 8.587 10.106 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -5.046 7.455 9.111 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -7.189 0.552 8.946 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -7.234 1.491 9.125 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -8.077 0.316 8.676 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -6.381 -4.666 17.619 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -6.610 -4.607 16.692 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -6.824 -5.458 17.926 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -7.451 9.274 13.780 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -8.283 9.747 13.807 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -6.905 9.784 13.181 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 5.131 10.131 8.339 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 5.414 9.337 8.792 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 5.871 10.364 7.778 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -3.914 6.041 8.196 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -3.850 5.247 8.727 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -3.261 5.922 7.507 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 4.135 5.583 22.880 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 4.880 6.171 22.760 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 3.378 6.165 22.943 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -7.423 2.897 25.484 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -7.015 2.040 25.363 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -7.683 2.912 26.405 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 1.544 4.377 26.136 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 2.497 4.461 26.108 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 1.384 3.666 26.755 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 7.696 4.611 8.210 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 7.423 4.186 7.397 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 7.736 5.542 7.993 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -1.142 3.070 21.673 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -0.391 2.914 21.100 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -1.481 3.922 21.397 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 3.274 0.885 26.701 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 3.466 -0.046 26.590 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 4.131 1.310 26.691 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 4.590 3.674 24.779 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 4.309 4.383 24.201 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 5.533 3.601 24.628 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -4.658 0.459 25.852 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -5.425 -0.073 25.642 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -3.979 0.149 25.253 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -0.654 -0.591 25.428 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -0.890 -0.811 26.330 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -1.437 -0.798 24.919 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -6.477 -1.620 25.557 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -6.266 -2.327 24.946 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -6.589 -2.058 26.401 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -8.228 7.583 9.249 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -7.314 7.662 9.522 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -8.221 6.896 8.582 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 8.155 5.480 12.185 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 9.005 5.901 12.313 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 8.160 4.740 12.793 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 8.549 3.533 14.009 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 7.823 3.054 14.407 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 9.130 3.739 14.741 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 8.308 6.318 18.957 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 9.142 5.940 18.676 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 8.420 7.261 18.838 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 8.817 3.434 10.400 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 8.296 3.791 9.681 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 8.784 4.109 11.078 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 7.166 0.674 8.951 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 7.263 1.341 8.271 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 7.026 -0.142 8.469 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 7.192 4.024 24.211 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 7.775 3.290 24.402 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 7.756 4.796 24.257 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 8.689 1.927 24.895 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 7.826 1.548 24.730 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 9.293 1.188 24.821 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 6.414 -1.918 8.068 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 7.024 -2.290 8.705 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 5.577 -2.340 8.264 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -9.031 -0.597 24.723 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -8.112 -0.719 24.959 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -9.481 -1.347 25.112 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -7.810 -2.285 17.614 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -7.365 -3.077 17.916 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -7.344 -1.569 18.045 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -9.506 0.714 18.683 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -9.014 0.493 17.893 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -9.144 1.555 18.964 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 8.526 -3.033 9.611 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 8.939 -3.754 9.135 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 9.208 -2.363 9.669 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 5.578 11.956 14.683 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 6.231 11.609 14.075 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 6.089 12.445 15.329 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -9.229 -4.290 21.082 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -9.894 -4.536 21.725 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -9.672 -3.668 20.505 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -4.083 9.860 21.485 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -4.508 10.669 21.202 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -3.178 9.945 21.183 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 7.491 -4.866 22.768 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 6.678 -4.541 22.380 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 7.724 -5.626 22.235 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -6.681 13.116 21.532 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -7.401 13.556 21.081 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -7.047 12.865 22.381 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -4.214 12.716 20.562 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -5.079 12.788 20.966 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -4.269 13.263 19.778 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 0.497 12.604 19.738 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 0.040 13.133 19.084 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 0.660 13.207 20.463 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -6.753 -4.783 14.913 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -7.530 -5.017 14.405 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -6.222 -5.580 14.921 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -2.173 -4.856 14.726 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -1.299 -4.468 14.696 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -2.309 -5.071 15.649 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -8.015 10.963 11.614 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -8.700 10.925 10.946 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -8.012 11.876 11.902 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -6.055 -3.069 9.159 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -5.564 -3.699 8.631 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -5.432 -2.773 9.822 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 7.558 11.736 12.691 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 7.364 10.988 12.126 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 7.519 12.494 12.107 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -6.795 -4.269 24.430 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -7.161 -5.034 24.873 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -5.882 -4.240 24.717 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -4.822 -4.918 25.966 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -3.923 -5.192 25.781 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -5.208 -5.661 26.430 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 8.311 -2.338 38.413 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 8.360 -1.728 39.149 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 8.737 -1.877 37.690 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 3.666 -1.313 33.553 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 4.312 -1.642 34.178 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 4.176 -0.795 32.930 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 5.430 -2.022 35.534 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 5.215 -2.788 36.066 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 6.086 -1.550 36.047 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 1.101 2.075 28.218 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 1.802 2.097 28.869 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 1.403 1.447 27.562 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 4.453 3.827 32.131 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 3.721 4.055 32.704 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 4.900 3.113 32.586 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 3.324 2.989 29.816 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 3.903 3.139 30.563 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 3.738 3.460 29.093 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 4.801 4.022 27.446 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 4.843 3.799 26.516 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 5.650 4.420 27.636 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 0.374 -2.102 28.116 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 0.120 -2.083 29.039 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 0.117 -2.974 27.815 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 1.673 1.286 32.281 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 1.264 2.101 31.989 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 2.393 1.146 31.666 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -2.744 -1.657 27.217 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -3.175 -2.102 27.947 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -3.462 -1.285 26.705 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -4.126 1.121 28.600 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -4.668 0.741 27.909 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -3.292 1.315 28.171 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 8.710 0.577 30.090 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 8.156 0.181 29.418 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 8.811 1.487 29.813 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -0.305 -0.684 32.000 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 0.507 -0.180 32.046 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -0.550 -0.829 32.914 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 0.579 -3.603 32.938 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 0.232 -2.985 33.583 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 1.237 -3.102 32.457 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -3.764 -2.540 29.626 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -3.847 -1.651 29.972 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -2.874 -2.805 29.857 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -7.189 0.552 27.802 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -7.234 1.491 27.981 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -8.077 0.316 27.532 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -1.694 2.256 27.621 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -1.874 2.102 26.693 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -0.743 2.364 27.665 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 7.696 4.611 27.066 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 7.423 4.186 26.253 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 7.736 5.542 26.849 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 8.817 3.434 29.256 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 8.296 3.791 28.537 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 8.784 4.109 29.934 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 6.336 2.054 33.428 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 6.186 1.109 33.408 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 5.982 2.335 34.272 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 6.046 -0.363 31.890 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 6.326 -1.270 32.015 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 6.805 0.071 31.501 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 0.921 -3.417 35.947 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 0.246 -4.046 36.202 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 1.485 -3.901 35.344 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 6.063 -5.310 36.059 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 6.667 -4.762 35.558 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 5.194 -4.990 35.819 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 7.790 -4.171 34.393 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 8.402 -4.685 33.866 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 8.173 -3.293 34.416 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -2.173 -4.856 33.582 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -1.299 -4.468 33.552 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -2.309 -5.071 34.505 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 3.384 -4.826 35.231 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 3.460 -4.731 34.282 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 3.108 -5.734 35.360 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -6.055 -3.069 28.015 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -5.564 -3.699 27.487 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -5.432 -2.773 28.678 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -1.029 -2.776 30.472 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -0.851 -3.422 31.155 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -1.083 -1.942 30.939 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -6.373 22.099 -17.829 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -6.331 21.473 -17.105 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -5.670 22.722 -17.647 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -5.449 26.549 -19.294 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -5.819 25.747 -19.663 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -4.508 26.380 -19.247 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -2.677 24.006 -17.054 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -3.417 24.604 -16.951 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -1.963 24.560 -17.370 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -4.269 25.970 -16.267 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -4.275 26.849 -16.645 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -5.123 25.887 -15.842 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -2.655 26.481 -14.204 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -2.967 27.263 -13.748 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -3.305 26.328 -14.890 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -5.735 22.679 -14.975 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -5.665 23.330 -14.277 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -6.626 22.782 -15.310 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -9.068 27.526 -19.266 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -8.122 27.382 -19.285 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -9.181 28.310 -18.729 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 0.108 27.766 -14.708 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 0.195 28.592 -14.233 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -0.756 27.436 -14.459 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -6.110 19.825 -16.149 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -6.148 20.225 -15.281 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -6.601 19.008 -16.059 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 0.729 24.726 -14.795 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 0.383 24.345 -13.989 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 0.529 25.660 -14.724 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -8.658 22.298 -14.948 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -8.435 21.880 -14.116 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -9.260 21.685 -15.370 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -1.641 21.815 -12.735 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -1.937 21.649 -13.630 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -0.710 21.595 -12.745 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -1.349 29.167 -16.967 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -0.986 30.022 -17.200 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -0.817 28.875 -16.226 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -7.024 17.051 -15.390 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -7.917 17.390 -15.457 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -7.123 16.196 -14.972 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -7.373 28.856 -16.955 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -7.156 27.924 -16.986 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -7.126 29.130 -16.071 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 3.012 28.042 -12.253 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 2.661 27.186 -12.010 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 3.738 28.185 -11.646 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -1.600 24.523 -12.215 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -1.928 24.794 -13.073 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -1.448 23.582 -12.303 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -3.476 20.762 -14.854 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -4.094 21.437 -14.573 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -3.132 21.083 -15.687 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 1.544 23.233 -11.576 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 2.497 23.317 -11.604 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 1.384 22.522 -10.957 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -4.658 19.315 -11.860 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -5.425 18.783 -12.070 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -3.979 19.005 -12.459 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -6.477 17.236 -12.155 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -6.266 16.529 -12.766 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -6.589 16.798 -11.311 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -8.629 22.988 -19.130 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -8.445 22.906 -20.065 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -7.780 22.864 -18.706 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -9.031 18.259 -12.989 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -8.112 18.137 -12.753 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -9.481 17.509 -12.600 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -4.083 28.716 -16.227 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -4.508 29.525 -16.510 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -3.178 28.801 -16.529 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 0.228 30.115 -13.268 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 0.413 29.781 -12.390 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 1.075 30.424 -13.590 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -6.681 31.972 -16.180 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -7.401 32.412 -16.631 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -7.047 31.721 -15.331 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -4.214 31.572 -17.150 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -5.079 31.644 -16.746 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -4.269 32.119 -17.934 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -7.266 30.595 -19.269 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -7.285 30.170 -18.412 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -6.461 30.277 -19.678 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -5.125 29.305 -20.614 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -5.344 28.389 -20.445 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -4.301 29.445 -20.148 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 2.326 23.229 -3.985 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 2.415 24.173 -4.117 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 1.687 22.954 -4.643 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 2.076 30.528 -2.052 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 2.696 29.851 -2.325 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 1.868 30.310 -1.144 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -0.352 24.917 -0.160 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -0.048 24.231 -0.754 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 0.370 25.035 0.458 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -4.056 17.412 -2.560 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -4.013 18.272 -2.978 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -4.514 16.860 -3.193 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -2.280 21.359 -2.582 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -1.664 20.833 -2.073 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -2.866 20.719 -2.986 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -5.246 16.330 1.514 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -5.465 16.860 0.748 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -5.914 16.557 2.162 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 2.123 25.830 -4.942 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 1.827 25.508 -5.793 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 1.799 26.730 -4.900 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -2.677 24.006 1.802 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -3.417 24.604 1.905 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -1.963 24.560 1.486 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -1.220 13.636 -1.033 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -1.337 12.687 -1.087 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -2.075 13.968 -0.760 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 3.729 29.044 -3.291 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 4.154 28.337 -3.776 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 4.046 29.845 -3.708 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 4.888 26.945 -4.782 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 4.631 26.255 -5.394 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 4.959 26.502 -3.937 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 1.047 22.473 -6.533 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 0.335 23.008 -6.884 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 1.738 22.529 -7.193 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 1.101 20.931 -9.494 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 1.802 20.953 -8.843 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 1.403 20.303 -10.150 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 4.453 22.683 -5.581 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 3.721 22.911 -5.008 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 4.900 21.969 -5.126 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -3.535 22.082 -0.065 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -2.970 22.203 -0.828 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -3.216 22.719 0.574 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -2.655 26.481 4.652 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -2.967 27.263 5.108 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -3.305 26.328 3.966 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 3.324 21.845 -7.896 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 3.903 21.995 -7.149 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 3.738 22.316 -8.619 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -5.735 22.679 3.881 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -5.665 23.330 4.579 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -6.626 22.782 3.546 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 1.050 28.582 -4.461 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 1.524 28.877 -3.683 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 0.487 29.320 -4.694 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -4.416 28.553 5.416 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -4.408 28.417 4.468 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -5.332 28.435 5.668 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 0.108 27.766 4.148 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 0.195 28.592 4.623 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -0.756 27.436 4.397 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 0.522 31.538 -6.046 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 0.447 31.417 -6.992 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 0.555 32.488 -5.927 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -5.824 30.327 -4.265 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -5.672 29.979 -3.386 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -6.675 29.971 -4.520 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 3.624 30.692 -9.043 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 3.999 29.948 -9.514 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 3.628 30.422 -8.125 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 3.293 30.618 -6.294 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 2.358 30.718 -6.115 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 3.573 29.909 -5.716 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -3.951 14.539 -0.255 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -4.812 14.452 -0.663 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -3.973 15.395 0.172 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 0.712 14.261 3.119 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 1.132 13.846 3.872 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -0.221 14.083 3.236 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -3.860 19.505 0.840 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -4.502 19.464 1.549 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -3.823 20.431 0.602 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 1.673 20.142 -5.431 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 1.264 20.957 -5.723 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 2.393 20.002 -6.046 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -6.110 19.825 2.707 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -6.148 20.225 3.575 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -6.601 19.008 2.797 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -2.744 17.199 -10.495 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -3.175 16.754 -9.765 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -3.462 17.571 -11.007 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -1.281 17.153 -3.162 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -2.192 17.210 -2.873 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -0.776 17.093 -2.351 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -2.800 18.782 -6.679 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -1.868 18.911 -6.501 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -3.015 19.452 -7.328 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -4.126 19.977 -9.112 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -4.668 19.597 -9.803 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -3.292 20.171 -9.541 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -5.991 24.534 5.987 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -5.258 24.788 6.548 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -6.771 24.738 6.502 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -4.959 16.077 -4.857 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -5.276 15.175 -4.892 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -4.178 16.079 -5.409 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -1.335 18.329 1.139 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -2.170 18.783 1.249 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -0.811 18.605 1.891 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -1.349 29.167 1.889 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -0.986 30.022 1.656 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -0.817 28.875 2.630 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 4.398 26.195 -9.336 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 4.751 25.815 -8.532 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 3.449 26.102 -9.250 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -7.024 17.051 3.466 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -7.917 17.390 3.399 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -7.123 16.196 3.884 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 5.264 24.868 -7.110 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 4.987 24.140 -6.554 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 6.191 24.987 -6.904 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 1.711 16.792 2.356 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 2.409 16.866 3.006 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 1.330 15.928 2.511 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -0.305 18.172 -5.712 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 0.507 18.676 -5.666 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -0.550 18.027 -4.798 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 0.231 19.158 3.473 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 0.350 19.732 4.230 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 0.886 18.470 3.588 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -3.764 16.316 -8.086 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -3.847 17.205 -7.740 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -2.874 16.051 -7.855 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -6.381 14.190 -1.237 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -6.610 14.249 -2.164 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -6.824 13.398 -0.930 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -3.565 29.662 7.874 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -2.797 29.203 8.215 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -3.586 29.436 6.944 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 0.527 29.170 -10.751 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -0.117 28.539 -10.429 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 1.289 28.639 -10.983 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 1.438 25.944 -10.924 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 1.170 26.124 -10.023 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 1.232 25.018 -11.055 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -7.423 21.753 6.628 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -7.015 20.896 6.507 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -7.683 21.768 7.549 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -2.765 22.869 -8.354 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -3.224 22.385 -7.668 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -2.510 22.201 -8.990 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -3.476 20.762 4.002 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -4.094 21.437 4.283 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -3.132 21.083 3.169 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -1.694 21.112 -10.091 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -1.874 20.958 -11.019 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -0.743 21.220 -10.047 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -3.136 18.117 5.085 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -2.986 17.388 4.482 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -3.134 18.894 4.526 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -2.724 16.487 2.577 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -2.188 16.938 1.925 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.576 16.379 2.155 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -1.142 21.926 2.817 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -0.391 21.770 2.244 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -1.481 22.778 2.541 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -4.658 19.315 6.996 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -5.425 18.783 6.786 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -3.979 19.005 6.397 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -0.654 18.265 6.572 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -0.890 18.045 7.474 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -1.437 18.058 6.063 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 2.062 17.392 5.648 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 1.114 17.424 5.780 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 2.374 16.767 6.302 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 3.696 16.026 7.653 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 3.599 15.074 7.647 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 3.374 16.295 8.514 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -1.796 31.803 -9.090 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -0.863 31.961 -8.946 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -2.060 32.478 -9.715 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -9.031 18.259 5.867 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -8.112 18.137 6.103 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -9.481 17.509 6.256 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -9.229 14.566 2.226 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -9.894 14.320 2.869 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -9.672 15.188 1.649 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -7.037 27.741 6.370 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -7.858 27.916 5.910 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -7.289 27.668 7.291 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -4.083 28.716 2.629 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -4.508 29.525 2.346 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -3.178 28.801 2.327 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 0.497 31.460 0.882 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 0.040 31.989 0.228 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 0.660 32.063 1.607 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -2.588 29.775 -0.910 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -2.375 28.887 -1.197 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -2.523 29.741 0.045 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -7.916 13.871 -8.140 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -7.477 14.482 -8.731 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -8.550 14.409 -7.666 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -2.173 14.000 -4.130 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -1.299 14.388 -4.160 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -2.309 13.785 -3.207 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -6.055 15.787 -9.697 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -5.564 15.157 -10.225 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -5.432 16.083 -9.034 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 0.849 31.029 -8.845 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 1.715 31.395 -9.023 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 0.602 30.589 -9.658 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 3.600 13.270 7.292 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 3.676 12.844 8.146 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 4.493 13.284 6.950 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -6.373 22.099 19.883 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -6.331 21.473 20.607 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -5.670 22.722 20.065 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -5.449 26.549 18.418 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -5.819 25.747 18.049 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -4.508 26.380 18.465 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 3.666 17.543 14.697 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 4.312 17.214 15.322 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 4.176 18.061 14.074 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -2.280 21.359 16.274 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -1.664 20.833 16.783 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -2.866 20.719 15.870 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -5.246 16.330 20.370 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -5.465 16.860 19.604 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -5.914 16.557 21.018 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -5.652 18.222 18.323 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -5.039 18.855 18.696 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -5.140 17.750 17.666 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -1.220 13.636 17.823 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -1.337 12.687 17.769 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -2.075 13.968 18.096 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -3.902 23.313 15.158 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -4.232 22.943 14.339 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -3.314 22.643 15.504 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -2.535 26.741 17.839 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -2.630 26.163 17.082 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -1.806 26.370 18.335 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -3.535 22.082 18.791 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -2.970 22.203 18.028 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -3.216 22.719 19.430 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -5.735 22.679 22.737 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -5.665 23.330 23.435 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -6.626 22.782 22.402 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 7.022 13.595 10.773 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 6.123 13.734 11.068 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 7.274 14.426 10.371 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -4.912 22.383 12.747 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -5.204 23.151 12.256 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -5.586 21.723 12.584 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -8.819 24.746 21.562 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -9.320 24.718 20.747 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -8.813 23.840 21.872 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -6.570 26.069 22.605 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -6.353 25.708 23.465 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -7.425 25.695 22.395 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 0.374 16.754 9.260 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 0.120 16.773 10.183 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 0.117 15.882 8.959 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -3.860 19.505 19.696 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -4.502 19.464 20.405 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -3.823 20.431 19.458 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -3.863 19.726 14.608 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -4.756 19.385 14.549 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -3.412 19.349 13.852 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 1.673 20.142 13.425 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 1.264 20.957 13.133 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 2.393 20.002 12.810 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -6.110 19.825 21.563 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -6.148 20.225 22.431 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -6.601 19.008 21.653 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -1.281 17.153 15.694 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -2.192 17.210 15.983 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -0.776 17.093 16.505 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -2.800 18.782 12.177 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -1.868 18.911 12.355 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -3.015 19.452 11.528 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -4.126 19.977 9.744 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -4.668 19.597 9.053 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -3.292 20.171 9.315 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -1.335 18.329 19.995 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -2.170 18.783 20.105 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -0.811 18.605 20.747 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -0.791 24.542 11.680 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -1.535 24.035 11.357 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -0.925 24.591 12.626 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 3.107 17.356 9.879 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 2.169 17.468 9.728 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 3.404 18.213 10.185 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -5.666 23.837 17.449 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -4.921 23.835 16.848 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -5.588 23.013 17.931 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -8.658 22.298 22.764 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -8.435 21.880 23.596 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -9.260 21.685 22.342 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -3.291 27.355 14.854 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -2.764 28.128 14.653 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -4.171 27.580 14.552 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -1.864 25.018 14.430 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -2.105 25.943 14.472 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -2.604 24.559 14.826 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -3.180 30.040 13.975 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -4.130 30.145 14.027 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -2.829 30.860 14.320 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -7.024 17.051 22.322 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -7.917 17.390 22.255 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -7.123 16.196 22.740 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -7.373 28.856 20.757 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -7.156 27.924 20.726 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -7.126 29.130 21.641 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -2.574 26.877 10.423 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -2.427 26.357 11.213 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -2.577 27.784 10.729 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 2.495 16.444 12.309 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 2.715 16.916 11.506 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 3.053 16.839 12.980 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -0.305 18.172 13.144 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 0.507 18.676 13.190 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -0.550 18.027 14.058 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -2.498 29.618 11.154 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -2.337 30.418 10.653 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -2.695 29.925 12.039 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -3.914 24.897 8.196 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -3.850 24.103 8.727 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -3.261 24.778 7.507 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -2.765 22.869 10.502 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -3.224 22.385 11.188 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -2.510 22.201 9.866 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -1.694 21.112 8.765 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -1.874 20.958 7.837 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -0.743 21.220 8.809 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -2.724 16.487 21.433 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -2.188 16.938 20.781 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -3.576 16.379 21.011 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -1.918 13.943 21.865 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -2.016 14.890 21.759 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -2.661 13.571 21.389 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -1.796 31.803 9.766 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -0.863 31.961 9.910 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -2.060 32.478 9.141 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -9.579 31.832 14.326 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -10.226 31.370 13.793 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -9.224 31.160 14.909 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -9.229 14.566 21.082 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -9.894 14.320 21.725 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -9.672 15.188 20.505 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -6.681 31.972 21.532 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -7.401 32.412 21.081 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -7.047 31.721 22.381 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -7.266 30.595 18.443 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -7.285 30.170 19.300 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -6.461 30.277 18.034 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -5.125 29.305 17.098 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -5.344 28.389 17.267 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -4.301 29.445 17.564 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -2.588 29.775 17.946 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -2.375 28.887 17.659 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -2.523 29.741 18.901 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 0.921 15.439 17.091 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 0.246 14.810 17.346 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 1.485 14.955 16.488 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 3.384 14.030 16.375 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 3.460 14.125 15.426 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 3.108 13.122 16.504 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 4.737 14.056 12.068 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 4.034 14.670 11.858 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 4.292 13.218 12.199 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -6.197 30.739 8.639 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -6.465 31.026 9.512 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -5.426 30.193 8.791 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -5.735 41.535 -33.831 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -5.665 42.186 -33.133 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -6.626 41.638 -34.166 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -8.819 43.602 -35.006 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -9.320 43.574 -35.821 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -8.813 42.696 -34.696 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -9.068 46.382 -38.122 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -8.122 46.238 -38.141 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -9.181 47.166 -37.585 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -5.991 43.390 -31.725 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -5.258 43.644 -31.164 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -6.771 43.594 -31.210 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -8.658 41.154 -33.804 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -8.435 40.736 -32.972 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -9.260 40.541 -34.226 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -8.255 43.409 -30.504 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -8.111 42.507 -30.790 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -9.028 43.695 -30.992 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -7.423 40.609 -31.084 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -7.015 39.752 -31.205 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -7.683 40.624 -30.163 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -8.629 41.844 -37.986 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -8.445 41.762 -38.921 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -7.780 41.720 -37.562 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -9.031 37.115 -31.845 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -8.112 36.993 -31.609 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -9.481 36.365 -31.456 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -9.506 38.426 -37.885 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -9.014 38.205 -38.675 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -9.144 39.267 -37.604 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -7.037 46.597 -31.342 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -7.858 46.772 -31.802 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -7.289 46.524 -30.421 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -6.373 40.955 -17.829 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -6.331 40.329 -17.105 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -5.670 41.578 -17.647 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -7.436 38.665 -20.654 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -6.782 38.115 -20.222 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -7.412 38.391 -21.570 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -5.246 35.186 -17.342 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -5.465 35.716 -18.108 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -5.914 35.413 -16.694 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -5.652 37.078 -19.389 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -5.039 37.711 -19.016 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -5.140 36.606 -20.046 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -8.148 44.497 -25.485 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -8.420 44.726 -26.374 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -8.103 45.335 -25.025 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -5.735 41.535 -14.975 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -5.665 42.186 -14.277 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -6.626 41.638 -15.310 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -6.110 38.681 -16.149 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -6.148 39.081 -15.281 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -6.601 37.864 -16.059 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -8.227 36.543 -26.875 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -7.753 37.134 -27.460 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -8.945 37.074 -26.528 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -8.658 41.154 -14.948 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -8.435 40.736 -14.116 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -9.260 40.541 -15.370 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -7.536 41.073 -28.271 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -6.920 41.700 -27.892 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -8.398 41.389 -28.000 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -7.024 35.907 -15.390 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -7.917 36.246 -15.457 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -7.123 35.052 -14.972 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -7.189 38.264 -28.766 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -7.234 39.203 -28.587 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -8.077 38.028 -29.036 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -6.381 33.046 -20.093 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -6.610 33.105 -21.020 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -6.824 32.254 -19.786 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -8.255 43.409 -11.648 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -8.111 42.507 -11.934 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -9.028 43.695 -12.136 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -7.423 40.609 -12.228 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -7.015 39.752 -12.349 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -7.683 40.624 -11.307 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -3.136 36.973 -13.771 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -2.986 36.244 -14.374 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -3.134 37.750 -14.330 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -4.658 38.171 -11.860 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -5.425 37.639 -12.070 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -3.979 37.861 -12.459 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -1.918 32.799 -15.847 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -2.016 33.746 -15.953 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -2.661 32.427 -16.323 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -1.696 32.093 -13.176 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -0.984 31.453 -13.190 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -1.797 32.360 -14.090 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -1.343 33.776 -11.122 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -1.474 33.300 -11.943 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -1.942 34.520 -11.178 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -8.228 45.295 -28.463 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -7.314 45.374 -28.190 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -8.221 44.608 -29.130 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -8.629 41.844 -19.130 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -8.445 41.762 -20.065 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -7.780 41.720 -18.706 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -7.810 35.427 -20.098 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -7.365 34.635 -19.796 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -7.344 36.143 -19.667 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -9.506 38.426 -19.029 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -9.014 38.205 -19.819 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -9.144 39.267 -18.748 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -6.795 33.443 -13.282 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -7.161 32.678 -12.839 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -5.882 33.472 -12.995 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -4.822 32.794 -11.746 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -3.923 32.520 -11.931 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -5.208 32.051 -11.282 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -6.373 40.955 1.027 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -6.331 40.329 1.751 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -5.670 41.578 1.209 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -8.129 41.227 -2.919 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -7.915 40.457 -2.392 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -7.391 41.316 -3.522 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -4.056 36.268 -2.560 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -4.013 37.128 -2.978 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -4.514 35.716 -3.193 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -7.436 38.665 -1.798 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -6.782 38.115 -1.366 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -7.412 38.391 -2.714 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -5.246 35.186 1.514 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -5.465 35.716 0.748 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -5.914 35.413 2.162 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -5.652 37.078 -0.533 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -5.039 37.711 -0.160 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -5.140 36.606 -1.190 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -1.220 32.492 -1.033 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -1.337 31.543 -1.087 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -2.075 32.824 -0.760 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -4.912 41.239 -6.109 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -5.204 42.007 -6.600 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -5.586 40.579 -6.272 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -8.819 43.602 2.706 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -9.320 43.574 1.891 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -8.813 42.696 3.016 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -3.951 33.395 -0.255 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -4.812 33.308 -0.663 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -3.973 34.251 0.172 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -3.860 38.361 0.840 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -4.502 38.320 1.549 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -3.823 39.287 0.602 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -3.863 38.582 -4.248 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -4.756 38.241 -4.307 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -3.412 38.205 -5.004 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -6.110 38.681 2.707 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -6.148 39.081 3.575 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -6.601 37.864 2.797 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -2.744 36.055 -10.495 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -3.175 35.610 -9.765 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -3.462 36.427 -11.007 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -1.281 36.009 -3.162 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -2.192 36.066 -2.873 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -0.776 35.949 -2.351 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -2.800 37.638 -6.679 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -1.868 37.767 -6.501 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -3.015 38.308 -7.328 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -4.126 38.833 -9.112 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -4.668 38.453 -9.803 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -3.292 39.027 -9.541 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -4.959 34.933 -4.857 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -5.276 34.031 -4.892 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -4.178 34.935 -5.409 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -8.658 41.154 3.908 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -8.435 40.736 4.740 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -9.260 40.541 3.486 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -7.536 41.073 -9.415 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -6.920 41.700 -9.036 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -8.398 41.389 -9.144 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -7.024 35.907 3.466 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -7.917 36.246 3.399 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -7.123 35.052 3.884 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -6.121 42.986 -7.923 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -6.807 43.338 -7.356 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -5.598 43.749 -8.169 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -3.764 35.172 -8.086 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -3.847 36.061 -7.740 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -2.874 34.907 -7.855 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -7.423 40.609 6.628 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -7.015 39.752 6.507 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -7.683 40.624 7.549 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -3.136 36.973 5.085 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -2.986 36.244 4.482 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -3.134 37.750 4.526 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -2.724 35.343 2.577 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -2.188 35.794 1.925 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -3.576 35.235 2.155 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -1.918 32.799 3.009 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -2.016 33.746 2.903 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -2.661 32.427 2.533 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -6.477 36.092 6.701 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -6.266 35.385 6.090 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -6.589 35.654 7.545 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -1.696 32.093 5.680 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -0.984 31.453 5.666 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -1.797 32.360 4.766 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -8.629 41.844 -0.274 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -8.445 41.762 -1.209 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -7.780 41.720 0.150 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -9.031 37.115 5.867 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -8.112 36.993 6.103 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -9.481 36.365 6.256 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -9.506 38.426 -0.173 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -9.014 38.205 -0.963 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -9.144 39.267 0.108 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -2.173 32.856 -4.130 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -1.299 33.244 -4.160 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -2.309 32.641 -3.207 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -1.029 34.936 -7.240 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -0.851 34.290 -6.557 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -1.083 35.770 -6.773 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -6.795 33.443 5.574 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -7.161 32.678 6.017 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -5.882 33.472 5.861 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -4.822 32.794 7.110 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -3.923 32.520 6.925 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -5.208 32.051 7.574 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -9.502 35.797 15.413 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -8.871 35.768 16.133 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -9.052 35.372 14.683 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -4.959 34.933 13.999 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -5.276 34.031 13.964 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -4.178 34.935 13.447 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -6.381 33.046 17.619 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -6.610 33.105 16.692 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -6.824 32.254 17.926 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -7.810 35.427 17.614 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -7.365 34.635 17.916 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -7.344 36.143 18.045 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -9.193 34.684 12.738 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -10.118 34.893 12.608 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -8.739 35.168 12.048 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -9.229 33.422 21.082 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -9.894 33.176 21.725 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -9.672 34.044 20.505 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -6.753 32.929 14.913 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -7.530 32.695 14.405 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -6.222 32.132 14.921 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -7.916 32.727 10.716 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -7.477 33.338 10.125 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -8.550 33.265 11.190 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -2.173 32.856 14.726 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -1.299 33.244 14.696 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -2.309 32.641 15.649 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -6.055 34.643 9.159 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -5.564 34.013 8.631 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -5.432 34.939 9.822 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 14.440 -9.159 24.272 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 14.448 -9.295 23.324 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 13.524 -9.277 24.524 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 10.694 -6.969 25.110 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 11.234 -7.186 25.869 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 10.213 -7.775 24.920 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 15.291 -8.050 26.730 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 16.059 -8.509 27.071 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 15.270 -8.276 25.800 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 10.601 -13.159 26.064 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 10.745 -14.061 25.778 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 9.828 -12.873 25.576 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 9.277 -5.880 14.326 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 8.630 -6.342 13.793 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 9.632 -6.552 14.909 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 10.147 -7.799 16.131 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 9.813 -8.680 16.303 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 10.369 -7.454 16.995 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 11.819 -9.971 25.226 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 10.998 -9.796 24.766 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 11.567 -10.044 26.147 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 12.175 -5.740 21.532 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 11.455 -5.300 21.081 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 11.809 -5.991 22.381 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 13.407 -11.163 37.274 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 13.037 -11.965 36.905 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 14.348 -11.332 37.321 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 10.708 -12.071 31.083 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 10.436 -11.842 30.194 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 10.753 -11.233 31.543 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 14.954 -14.399 34.014 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 14.624 -14.769 33.195 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 15.542 -15.069 34.360 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 16.321 -10.971 36.695 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 16.226 -11.549 35.938 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 17.050 -11.342 37.191 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 19.906 -9.130 33.251 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 20.380 -8.835 34.029 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 19.343 -8.392 33.018 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 9.788 -10.186 37.302 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 10.734 -10.330 37.283 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 9.675 -9.402 37.839 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 19.378 -6.174 31.666 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 19.303 -6.295 30.720 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 19.411 -5.224 31.785 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 13.190 -13.875 36.305 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 13.935 -13.877 35.704 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 13.268 -14.699 36.787 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 15.565 -10.357 33.710 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 16.092 -9.584 33.509 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 14.685 -10.132 33.408 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 16.992 -12.694 33.286 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 16.751 -11.769 33.328 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 16.252 -13.153 33.682 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 11.483 -8.856 39.613 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 11.700 -9.788 39.582 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 11.730 -8.582 40.497 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 16.282 -10.835 29.279 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 16.429 -11.355 30.069 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 16.279 -9.928 29.585 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 12.735 -13.582 29.789 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 12.049 -13.230 30.356 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 13.258 -12.819 29.543 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 19.020 -9.137 30.028 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 18.203 -8.640 30.081 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 19.549 -8.662 29.388 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 16.358 -8.094 30.010 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 16.519 -7.294 29.509 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 16.161 -7.787 30.895 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 13.351 -10.968 28.686 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 13.943 -10.269 28.962 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 13.810 -11.401 27.967 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 14.942 -12.815 27.052 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 15.006 -13.609 27.583 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 15.595 -12.934 26.363 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 17.060 -5.909 28.622 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 17.993 -5.751 28.766 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 16.796 -5.234 27.997 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 10.628 -11.273 28.105 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 11.542 -11.194 28.378 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 10.635 -11.960 27.438 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 14.773 -8.996 40.341 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 14.348 -8.187 40.058 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 15.678 -8.911 40.039 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 12.175 -5.740 40.388 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 11.455 -5.300 39.937 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 11.809 -5.991 41.237 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 14.642 -6.140 39.418 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 13.777 -6.068 39.822 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 14.587 -5.593 38.634 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 16.268 -7.937 36.802 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 16.481 -8.825 36.515 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 16.333 -7.971 37.757 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 10.017 1.353 13.811 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 9.569 2.199 13.793 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 9.456 0.773 13.296 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 11.420 0.953 17.058 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 12.074 0.403 17.490 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 11.444 0.679 16.142 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 9.354 -1.915 15.413 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 9.985 -1.944 16.133 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 9.804 -2.340 14.683 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 10.629 -1.169 10.837 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 11.103 -0.578 10.252 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 9.911 -0.638 11.184 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 10.198 3.442 22.764 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 10.421 3.024 23.596 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 9.596 2.829 22.342 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 11.832 -1.805 22.322 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 10.939 -1.466 22.255 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 11.733 -2.660 22.740 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 14.198 0.459 25.852 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 13.431 -0.073 25.642 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 14.877 0.149 25.253 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 12.379 -1.620 25.557 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 12.590 -2.327 24.946 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 12.267 -2.058 26.401 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 17.513 -3.936 26.590 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 17.382 -4.412 25.769 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 16.914 -3.192 26.534 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 10.227 4.132 18.582 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 10.411 4.050 17.647 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 11.076 4.008 19.006 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 9.825 -0.597 24.723 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 10.744 -0.719 24.959 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 9.375 -1.347 25.112 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 11.046 -2.285 17.614 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 11.491 -3.077 17.916 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 11.512 -1.569 18.045 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 9.350 0.714 18.683 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 9.842 0.493 17.893 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 9.712 1.555 18.964 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 9.663 -3.028 12.738 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 8.738 -2.819 12.608 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 10.117 -2.544 12.048 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 9.627 -4.290 21.082 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 8.962 -4.536 21.725 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 9.184 -3.668 20.505 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 12.103 -4.783 14.913 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 11.326 -5.017 14.405 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 12.634 -5.580 14.921 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 10.940 -4.985 10.716 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 11.379 -4.374 10.125 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 10.306 -4.447 11.190 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 12.061 -4.269 24.430 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 11.695 -5.034 24.873 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 12.974 -4.240 24.717 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 14.034 -4.918 25.966 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 14.933 -5.192 25.781 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 13.648 -5.661 26.430 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 10.017 1.353 32.667 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 9.569 2.199 32.649 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 9.456 0.773 32.152 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 14.800 -1.444 35.152 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 14.843 -0.584 34.734 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 14.342 -1.996 34.519 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 11.420 0.953 35.914 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 12.074 0.403 36.346 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 11.444 0.679 34.998 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 13.610 -2.526 39.226 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 13.391 -1.996 38.460 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 12.942 -2.299 39.874 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 13.204 -0.634 37.179 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 13.817 -0.001 37.552 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 13.716 -1.106 36.522 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 17.636 -5.220 36.679 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 17.519 -6.169 36.625 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 16.781 -4.888 36.952 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 14.905 -4.317 37.457 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 14.044 -4.404 37.049 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 14.883 -3.461 37.884 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 14.993 0.870 33.464 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 14.100 0.529 33.405 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 15.444 0.493 32.708 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 16.112 -1.657 27.217 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 15.681 -2.102 27.947 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 15.394 -1.285 26.705 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 9.354 -1.915 34.269 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 9.985 -1.944 34.989 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 9.804 -2.340 33.539 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 17.575 -1.703 34.550 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 16.664 -1.646 34.839 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 18.080 -1.763 35.361 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 12.403 -0.074 33.377 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 11.514 0.026 33.037 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 12.699 -0.916 33.031 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 16.056 -0.074 31.033 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 16.988 0.055 31.211 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 15.841 0.596 30.384 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 14.730 1.121 28.600 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 14.188 0.741 27.909 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 15.564 1.315 28.171 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 19.435 -3.603 32.938 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 19.088 -2.985 33.583 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 20.093 -3.102 32.457 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 15.092 -2.540 29.626 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 15.009 -1.651 29.972 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 15.982 -2.805 29.857 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 11.667 0.552 27.802 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 11.622 1.491 27.981 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 10.779 0.316 27.532 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 11.046 -2.285 36.470 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 11.491 -3.077 36.772 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 11.512 -1.569 36.901 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 9.627 -4.290 39.938 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 8.962 -4.536 40.581 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 9.184 -3.668 39.361 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 16.683 -4.856 33.582 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 17.557 -4.468 33.552 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 16.547 -5.071 34.505 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 17.827 -2.776 30.472 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 18.005 -3.422 31.155 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 17.773 -1.942 30.939 0.00 0.00 WAT1 END