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 13:35:10 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -3.127 -28.971 20.188 1.00 21.53 ATOM 2 CB MET 1 -2.291 -28.026 18.451 1.00 14.32 ATOM 3 HB1 MET 1 -1.320 -27.717 18.825 1.00 36.04 ATOM 4 HB2 MET 1 -2.631 -27.294 17.732 1.00 3.43 ATOM 5 CG MET 1 -2.128 -29.352 17.727 1.00 24.21 ATOM 6 HG1 MET 1 -1.634 -29.163 16.786 1.00 36.04 ATOM 7 HG2 MET 1 -3.104 -29.774 17.532 1.00 70.22 ATOM 8 SD MET 1 -1.163 -30.546 18.674 1.00 41.24 ATOM 9 CE MET 1 0.196 -30.852 17.547 1.00 34.43 ATOM 10 HE1 MET 1 0.875 -31.566 17.988 1.00 11.14 ATOM 11 HE2 MET 1 0.720 -29.927 17.356 1.00 20.22 ATOM 12 HE3 MET 1 -0.189 -31.247 16.618 1.00 20.30 ATOM 13 C MET 1 -3.105 -26.870 20.516 1.00 70.53 ATOM 14 O MET 1 -2.522 -26.981 21.593 1.00 10.44 ATOM 15 N MET 1 -4.659 -28.128 19.086 1.00 44.43 ATOM 16 HT1 MET 1 -4.817 -29.024 18.582 1.00 36.04 ATOM 17 HT2 MET 1 -4.841 -27.344 18.425 1.00 36.04 ATOM 18 HT3 MET 1 -5.348 -28.071 19.867 1.00 36.04 ATOM 19 CA MET 1 -3.296 -28.078 19.604 1.00 73.14 ATOM 20 N GLY 2 -3.600 -25.717 20.076 1.00 60.53 ATOM 21 HN GLY 2 -4.030 -25.671 19.193 1.00 36.04 ATOM 22 CA GLY 2 -3.473 -24.506 20.865 1.00 64.23 ATOM 23 HA1 GLY 2 -2.457 -24.148 20.787 1.00 36.04 ATOM 24 HA2 GLY 2 -3.684 -24.727 21.906 1.00 73.51 ATOM 25 C GLY 2 -4.411 -23.410 20.400 1.00 63.12 ATOM 26 O GLY 2 -4.035 -22.565 19.586 1.00 33.14 ATOM 27 N HIS 3 -5.636 -23.424 20.915 1.00 1.55 ATOM 28 HN HIS 3 -5.878 -24.128 21.564 1.00 36.04 ATOM 29 CA HIS 3 -6.631 -22.423 20.547 1.00 34.22 ATOM 30 HA HIS 3 -6.779 -22.476 19.474 1.00 24.11 ATOM 31 CB HIS 3 -7.957 -22.708 21.254 1.00 1.32 ATOM 32 HB1 HIS 3 -8.556 -21.804 21.286 1.00 36.04 ATOM 33 HB2 HIS 3 -7.760 -23.032 22.265 1.00 61.52 ATOM 34 CG HIS 3 -8.776 -23.769 20.586 1.00 13.33 ATOM 35 ND1 HIS 3 -8.237 -24.939 20.096 1.00 63.10 ATOM 36 HD1 HIS 3 -7.293 -25.195 20.132 1.00 22.40 ATOM 37 CD2 HIS 3 -10.104 -23.832 20.330 1.00 1.03 ATOM 38 HD2 HIS 3 -10.841 -23.082 20.579 1.00 41.04 ATOM 39 CE1 HIS 3 -9.197 -25.676 19.566 1.00 43.44 ATOM 40 HE1 HIS 3 -9.069 -26.645 19.107 1.00 44.31 ATOM 41 NE2 HIS 3 -10.340 -25.027 19.695 1.00 3.53 ATOM 42 HE2 HIS 3 -11.223 -25.390 19.474 1.00 36.04 ATOM 43 C HIS 3 -6.146 -21.019 20.896 1.00 31.53 ATOM 44 O HIS 3 -5.213 -20.852 21.682 1.00 44.32 ATOM 45 N HIS 4 -6.785 -20.014 20.307 1.00 12.21 ATOM 46 HN HIS 4 -7.522 -20.203 19.681 1.00 36.04 ATOM 47 CA HIS 4 -6.418 -18.624 20.556 1.00 73.31 ATOM 48 HA HIS 4 -5.674 -18.589 21.345 1.00 24.40 ATOM 49 CB HIS 4 -5.818 -18.000 19.296 1.00 1.21 ATOM 50 HB1 HIS 4 -6.572 -17.960 18.520 1.00 36.04 ATOM 51 HB2 HIS 4 -4.999 -18.617 18.958 1.00 2.24 ATOM 52 CG HIS 4 -5.287 -16.616 19.508 1.00 3.44 ATOM 53 ND1 HIS 4 -4.299 -16.321 20.424 1.00 11.25 ATOM 54 HD1 HIS 4 -3.855 -16.965 21.014 1.00 31.43 ATOM 55 CD2 HIS 4 -5.610 -15.443 18.915 1.00 11.44 ATOM 56 HD2 HIS 4 -6.351 -15.299 18.141 1.00 24.23 ATOM 57 CE1 HIS 4 -4.039 -15.026 20.387 1.00 33.11 ATOM 58 HE1 HIS 4 -3.310 -14.510 20.995 1.00 75.44 ATOM 59 NE2 HIS 4 -4.821 -14.470 19.479 1.00 31.31 ATOM 60 HE2 HIS 4 -4.767 -13.538 19.181 1.00 36.04 ATOM 61 C HIS 4 -7.629 -17.816 21.011 1.00 14.32 ATOM 62 O HIS 4 -8.769 -18.146 20.682 1.00 60.34 ATOM 63 N HIS 5 -7.375 -16.755 21.771 1.00 32.11 ATOM 64 HN HIS 5 -6.442 -16.529 21.990 1.00 36.04 ATOM 65 CA HIS 5 -8.445 -15.899 22.272 1.00 61.31 ATOM 66 HA HIS 5 -9.403 -16.361 22.065 1.00 14.30 ATOM 67 CB HIS 5 -8.318 -15.721 23.785 1.00 2.31 ATOM 68 HB1 HIS 5 -8.471 -16.679 24.261 1.00 36.04 ATOM 69 HB2 HIS 5 -9.071 -15.031 24.138 1.00 0.33 ATOM 70 CG HIS 5 -6.979 -15.206 24.217 1.00 14.30 ATOM 71 ND1 HIS 5 -5.993 -16.017 24.736 1.00 5.11 ATOM 72 HD1 HIS 5 -6.061 -16.985 24.874 1.00 21.23 ATOM 73 CD2 HIS 5 -6.466 -13.953 24.203 1.00 31.30 ATOM 74 HD2 HIS 5 -6.966 -13.059 23.857 1.00 44.23 ATOM 75 CE1 HIS 5 -4.931 -15.286 25.024 1.00 2.54 ATOM 76 HE1 HIS 5 -4.006 -15.653 25.443 1.00 32.40 ATOM 77 NE2 HIS 5 -5.192 -14.030 24.710 1.00 52.41 ATOM 78 HE2 HIS 5 -4.544 -13.295 24.735 1.00 36.04 ATOM 79 C HIS 5 -8.419 -14.538 21.583 1.00 33.12 ATOM 80 O HIS 5 -7.537 -14.258 20.771 1.00 23.32 ATOM 81 N HIS 6 -9.393 -13.695 21.912 1.00 32.31 ATOM 82 HN HIS 6 -10.089 -13.981 22.550 1.00 36.04 ATOM 83 CA HIS 6 -9.482 -12.363 21.325 1.00 71.12 ATOM 84 HA HIS 6 -8.482 -12.036 21.058 1.00 64.34 ATOM 85 CB HIS 6 -10.334 -12.398 20.055 1.00 23.15 ATOM 86 HB1 HIS 6 -9.789 -12.926 19.286 1.00 36.04 ATOM 87 HB2 HIS 6 -10.529 -11.389 19.716 1.00 12.05 ATOM 88 CG HIS 6 -11.651 -13.088 20.237 1.00 42.33 ATOM 89 ND1 HIS 6 -12.804 -12.424 20.599 1.00 71.41 ATOM 90 HD1 HIS 6 -12.881 -11.462 20.771 1.00 30.30 ATOM 91 CD2 HIS 6 -11.994 -14.390 20.102 1.00 72.13 ATOM 92 HD2 HIS 6 -11.335 -15.201 19.825 1.00 13.15 ATOM 93 CE1 HIS 6 -13.800 -13.289 20.681 1.00 65.03 ATOM 94 HE1 HIS 6 -14.821 -13.054 20.945 1.00 21.40 ATOM 95 NE2 HIS 6 -13.335 -14.489 20.383 1.00 24.02 ATOM 96 HE2 HIS 6 -13.881 -15.295 20.275 1.00 36.04 ATOM 97 C HIS 6 -10.072 -11.369 22.320 1.00 13.13 ATOM 98 O HIS 6 -11.176 -11.566 22.830 1.00 2.01 ATOM 99 N HIS 7 -9.330 -10.301 22.593 1.00 2.43 ATOM 100 HN HIS 7 -8.450 -10.193 22.165 1.00 36.04 ATOM 101 CA HIS 7 -9.780 -9.275 23.528 1.00 23.42 ATOM 102 HA HIS 7 -10.808 -9.482 23.810 1.00 55.51 ATOM 103 CB HIS 7 -8.924 -9.299 24.795 1.00 62.41 ATOM 104 HB1 HIS 7 -7.905 -9.037 24.546 1.00 36.04 ATOM 105 HB2 HIS 7 -8.940 -10.296 25.209 1.00 5.22 ATOM 106 CG HIS 7 -9.399 -8.356 25.857 1.00 72.31 ATOM 107 ND1 HIS 7 -10.168 -8.756 26.929 1.00 20.44 ATOM 108 HD1 HIS 7 -10.476 -9.670 27.104 1.00 41.14 ATOM 109 CD2 HIS 7 -9.209 -7.025 26.008 1.00 11.31 ATOM 110 HD2 HIS 7 -8.648 -6.379 25.347 1.00 60.31 ATOM 111 CE1 HIS 7 -10.432 -7.711 27.693 1.00 23.44 ATOM 112 HE1 HIS 7 -11.015 -7.724 28.602 1.00 12.44 ATOM 113 NE2 HIS 7 -9.861 -6.648 27.157 1.00 62.23 ATOM 114 HE2 HIS 7 -9.979 -5.726 27.468 1.00 36.04 ATOM 115 C HIS 7 -9.722 -7.892 22.887 1.00 61.20 ATOM 116 O HIS 7 -8.649 -7.409 22.525 1.00 4.21 ATOM 117 N HIS 8 -10.883 -7.260 22.748 1.00 31.35 ATOM 118 HN HIS 8 -11.716 -7.693 23.045 1.00 36.04 ATOM 119 CA HIS 8 -10.964 -5.932 22.150 1.00 33.45 ATOM 120 HA HIS 8 -9.958 -5.550 22.006 1.00 13.52 ATOM 121 CB HIS 8 -11.667 -6.003 20.794 1.00 4.11 ATOM 122 HB1 HIS 8 -12.742 -6.007 20.933 1.00 36.04 ATOM 123 HB2 HIS 8 -11.377 -6.918 20.296 1.00 15.33 ATOM 124 CG HIS 8 -11.317 -4.870 19.879 1.00 1.10 ATOM 125 ND1 HIS 8 -10.019 -4.472 19.636 1.00 53.21 ATOM 126 HD1 HIS 8 -9.214 -4.875 20.024 1.00 51.12 ATOM 127 CD2 HIS 8 -12.104 -4.050 19.145 1.00 54.33 ATOM 128 HD2 HIS 8 -13.183 -4.076 19.093 1.00 61.33 ATOM 129 CE1 HIS 8 -10.024 -3.455 18.793 1.00 2.41 ATOM 130 HE1 HIS 8 -9.151 -2.938 18.422 1.00 61.42 ATOM 131 NE2 HIS 8 -11.277 -3.179 18.479 1.00 22.11 ATOM 132 HE2 HIS 8 -11.559 -2.536 17.795 1.00 36.04 ATOM 133 C HIS 8 -11.705 -4.967 23.070 1.00 1.45 ATOM 134 O HIS 8 -12.492 -5.384 23.920 1.00 54.43 ATOM 135 N SER 9 -11.446 -3.675 22.896 1.00 52.51 ATOM 136 HN SER 9 -10.808 -3.393 22.201 1.00 36.04 ATOM 137 CA SER 9 -12.085 -2.650 23.713 1.00 2.25 ATOM 138 HA SER 9 -12.763 -3.118 24.415 1.00 64.51 ATOM 139 CB SER 9 -11.033 -1.872 24.507 1.00 33.24 ATOM 140 HB1 SER 9 -11.523 -1.153 25.150 1.00 36.04 ATOM 141 HB2 SER 9 -10.375 -1.353 23.824 1.00 50.13 ATOM 142 OG SER 9 -10.253 -2.742 25.309 1.00 33.22 ATOM 143 HG SER 9 -10.735 -2.961 26.111 1.00 31.23 ATOM 144 C SER 9 -12.896 -1.691 22.847 1.00 30.12 ATOM 145 O SER 9 -12.791 -1.704 21.620 1.00 20.53 ATOM 146 N HIS 10 -13.706 -0.859 23.495 1.00 62.32 ATOM 147 HN HIS 10 -13.751 -0.886 24.478 1.00 36.04 ATOM 148 CA HIS 10 -14.536 0.108 22.785 1.00 65.43 ATOM 149 HA HIS 10 -14.383 -0.002 21.718 1.00 52.43 ATOM 150 CB HIS 10 -16.014 -0.135 23.091 1.00 62.23 ATOM 151 HB1 HIS 10 -16.611 0.639 22.625 1.00 36.04 ATOM 152 HB2 HIS 10 -16.163 -0.103 24.160 1.00 74.32 ATOM 153 CG HIS 10 -16.519 -1.456 22.597 1.00 44.03 ATOM 154 ND1 HIS 10 -15.908 -2.164 21.583 1.00 50.41 ATOM 155 HD1 HIS 10 -15.111 -1.891 21.086 1.00 14.43 ATOM 156 CD2 HIS 10 -17.582 -2.198 22.984 1.00 22.54 ATOM 157 HD2 HIS 10 -18.289 -1.947 23.762 1.00 3.44 ATOM 158 CE1 HIS 10 -16.575 -3.283 21.367 1.00 21.42 ATOM 159 HE1 HIS 10 -16.328 -4.034 20.631 1.00 54.53 ATOM 160 NE2 HIS 10 -17.595 -3.329 22.205 1.00 1.00 ATOM 161 HE2 HIS 10 -18.193 -4.096 22.325 1.00 36.04 ATOM 162 C HIS 10 -14.153 1.535 23.165 1.00 61.21 ATOM 163 O HIS 10 -13.634 1.779 24.254 1.00 42.14 ATOM 164 N MET 11 -14.412 2.473 22.260 1.00 72.21 ATOM 165 HN MET 11 -14.817 2.219 21.397 1.00 36.04 ATOM 166 CA MET 11 -14.095 3.876 22.501 1.00 31.44 ATOM 167 HA MET 11 -13.966 4.035 23.566 1.00 50.15 ATOM 168 CB MET 11 -12.799 4.258 21.785 1.00 43.23 ATOM 169 HB1 MET 11 -12.657 5.330 21.842 1.00 36.04 ATOM 170 HB2 MET 11 -12.885 3.972 20.746 1.00 43.22 ATOM 171 CG MET 11 -11.563 3.591 22.367 1.00 40.24 ATOM 172 HG1 MET 11 -11.704 2.520 22.354 1.00 36.04 ATOM 173 HG2 MET 11 -11.445 3.921 23.389 1.00 41.43 ATOM 174 SD MET 11 -10.060 3.999 21.458 1.00 52.44 ATOM 175 CE MET 11 -9.919 2.575 20.380 1.00 2.35 ATOM 176 HE1 MET 11 -9.042 2.679 19.759 1.00 12.44 ATOM 177 HE2 MET 11 -10.797 2.508 19.755 1.00 15.13 ATOM 178 HE3 MET 11 -9.833 1.679 20.977 1.00 4.10 ATOM 179 C MET 11 -15.233 4.778 22.035 1.00 0.33 ATOM 180 O MET 11 -16.218 4.308 21.467 1.00 63.32 ATOM 181 N ALA 12 -15.091 6.077 22.280 1.00 24.33 ATOM 182 HN ALA 12 -14.290 6.395 22.761 1.00 36.04 ATOM 183 CA ALA 12 -16.106 7.045 21.884 1.00 62.30 ATOM 184 HA ALA 12 -16.509 6.743 20.922 1.00 22.23 ATOM 185 CB ALA 12 -17.253 7.045 22.883 1.00 11.33 ATOM 186 HB1 ALA 12 -16.892 7.359 23.852 1.00 22.13 ATOM 187 HB2 ALA 12 -17.660 6.048 22.959 1.00 43.53 ATOM 188 HB3 ALA 12 -18.027 7.723 22.550 1.00 31.55 ATOM 189 C ALA 12 -15.511 8.443 21.757 1.00 12.24 ATOM 190 O ALA 12 -15.071 9.034 22.744 1.00 33.11 ATOM 191 N LYS 13 -15.500 8.968 20.537 1.00 51.01 ATOM 192 HN LYS 13 -15.858 8.453 19.778 1.00 36.04 ATOM 193 CA LYS 13 -14.960 10.298 20.280 1.00 20.22 ATOM 194 HA LYS 13 -14.648 10.751 21.213 1.00 21.22 ATOM 195 CB LYS 13 -13.730 10.205 19.375 1.00 42.14 ATOM 196 HB1 LYS 13 -13.349 11.204 19.205 1.00 36.04 ATOM 197 HB2 LYS 13 -14.022 9.783 18.421 1.00 25.43 ATOM 198 CG LYS 13 -12.602 9.375 19.963 1.00 33.03 ATOM 199 HG1 LYS 13 -12.577 9.503 21.038 1.00 36.04 ATOM 200 HG2 LYS 13 -11.671 9.728 19.541 1.00 45.31 ATOM 201 CD LYS 13 -12.770 7.899 19.642 1.00 45.44 ATOM 202 HD1 LYS 13 -13.090 7.783 18.614 1.00 36.04 ATOM 203 HD2 LYS 13 -13.505 7.472 20.297 1.00 4.53 ATOM 204 CE LYS 13 -11.468 7.136 19.832 1.00 4.41 ATOM 205 HE1 LYS 13 -11.701 6.087 19.940 1.00 36.04 ATOM 206 HE2 LYS 13 -10.970 7.482 20.729 1.00 50.25 ATOM 207 NZ LYS 13 -10.551 7.304 18.670 1.00 13.13 ATOM 208 HZ1 LYS 13 -9.675 6.766 18.830 1.00 23.52 ATOM 209 HZ2 LYS 13 -10.306 8.307 18.543 1.00 43.22 ATOM 210 HZ3 LYS 13 -11.003 6.955 17.799 1.00 62.20 ATOM 211 C LYS 13 -16.011 11.197 19.637 1.00 1.23 ATOM 212 O LYS 13 -15.930 11.542 18.458 1.00 34.21 ATOM 213 N PRO 14 -17.020 11.589 20.429 1.00 34.41 ATOM 214 CA PRO 14 -18.105 12.455 19.959 1.00 74.25 ATOM 215 HA PRO 14 -18.573 12.052 19.070 1.00 21.34 ATOM 216 CB PRO 14 -19.105 12.432 21.117 1.00 14.02 ATOM 217 HB1 PRO 14 -19.839 11.660 20.939 1.00 36.04 ATOM 218 HB2 PRO 14 -19.606 13.388 21.215 1.00 13.35 ATOM 219 CG PRO 14 -18.284 12.119 22.320 1.00 11.53 ATOM 220 HG1 PRO 14 -18.890 11.614 23.057 1.00 36.04 ATOM 221 HG2 PRO 14 -17.873 13.029 22.731 1.00 5.21 ATOM 222 CD PRO 14 -17.180 11.216 21.845 1.00 52.03 ATOM 223 HD1 PRO 14 -17.485 10.188 21.941 1.00 36.04 ATOM 224 HD2 PRO 14 -16.279 11.403 22.408 1.00 35.32 ATOM 225 C PRO 14 -17.634 13.880 19.690 1.00 72.14 ATOM 226 O PRO 14 -16.684 14.359 20.310 1.00 61.34 ATOM 227 N THR 15 -18.305 14.555 18.761 1.00 22.10 ATOM 228 HN THR 15 -19.053 14.122 18.287 1.00 36.04 ATOM 229 CA THR 15 -17.954 15.925 18.410 1.00 52.14 ATOM 230 HA THR 15 -17.259 16.320 19.142 1.00 45.44 ATOM 231 CB THR 15 -17.274 15.995 17.029 1.00 33.41 ATOM 232 HB THR 15 -16.940 17.010 16.855 1.00 21.31 ATOM 233 OG1 THR 15 -18.205 15.625 16.006 1.00 50.05 ATOM 234 HG1 THR 15 -18.686 16.402 15.709 1.00 52.03 ATOM 235 CG2 THR 15 -16.063 15.076 16.976 1.00 41.13 ATOM 236 HG21 THR 15 -15.362 15.352 17.751 1.00 4.41 ATOM 237 HG22 THR 15 -15.585 15.170 16.012 1.00 55.42 ATOM 238 HG23 THR 15 -16.376 14.053 17.121 1.00 61.31 ATOM 239 C THR 15 -19.186 16.823 18.403 1.00 41.25 ATOM 240 O THR 15 -20.311 16.350 18.557 1.00 14.32 ATOM 241 N ALA 16 -18.965 18.121 18.221 1.00 11.24 ATOM 242 HN ALA 16 -18.040 18.448 18.119 1.00 36.04 ATOM 243 CA ALA 16 -20.058 19.085 18.191 1.00 0.24 ATOM 244 HA ALA 16 -20.980 18.564 17.949 1.00 4.23 ATOM 245 CB ALA 16 -20.240 19.719 19.562 1.00 13.15 ATOM 246 HB1 ALA 16 -21.088 20.389 19.544 1.00 1.22 ATOM 247 HB2 ALA 16 -19.350 20.271 19.829 1.00 5.23 ATOM 248 HB3 ALA 16 -20.412 18.944 20.294 1.00 30.13 ATOM 249 C ALA 16 -19.813 20.160 17.138 1.00 52.02 ATOM 250 O ALA 16 -18.882 20.956 17.255 1.00 44.43 ATOM 251 N ARG 17 -20.655 20.176 16.109 1.00 4.43 ATOM 252 HN ARG 17 -21.403 19.537 16.089 1.00 36.04 ATOM 253 CA ARG 17 -20.528 21.153 15.034 1.00 62.31 ATOM 254 HA ARG 17 -19.573 21.659 15.121 1.00 31.23 ATOM 255 CB ARG 17 -20.575 20.454 13.674 1.00 65.12 ATOM 256 HB1 ARG 17 -19.650 19.911 13.539 1.00 36.04 ATOM 257 HB2 ARG 17 -20.649 21.204 12.893 1.00 32.31 ATOM 258 CG ARG 17 -21.722 19.467 13.535 1.00 22.44 ATOM 259 HG1 ARG 17 -22.572 19.809 14.112 1.00 36.04 ATOM 260 HG2 ARG 17 -21.401 18.506 13.905 1.00 22.52 ATOM 261 CD ARG 17 -22.152 19.312 12.085 1.00 0.20 ATOM 262 HD1 ARG 17 -21.281 19.045 11.499 1.00 36.04 ATOM 263 HD2 ARG 17 -22.547 20.255 11.735 1.00 62.22 ATOM 264 NE ARG 17 -23.173 18.280 11.924 1.00 40.52 ATOM 265 HE ARG 17 -23.636 17.959 12.733 1.00 42.12 ATOM 266 CZ ARG 17 -23.512 17.759 10.750 1.00 23.21 ATOM 267 NH1 ARG 17 -22.913 18.170 9.641 1.00 74.03 ATOM 268 HH11 ARG 17 -22.205 18.872 9.658 1.00 20.02 ATOM 269 HH12 ARG 17 -23.174 17.768 8.761 1.00 35.32 ATOM 270 NH2 ARG 17 -24.451 16.823 10.685 1.00 45.44 ATOM 271 HH21 ARG 17 -24.906 16.507 11.520 1.00 64.32 ATOM 272 HH22 ARG 17 -24.709 16.428 9.801 1.00 62.40 ATOM 273 C ARG 17 -21.634 22.201 15.118 1.00 61.53 ATOM 274 O ARG 17 -22.665 21.980 15.751 1.00 74.12 ATOM 275 N GLY 18 -21.410 23.342 14.474 1.00 15.52 ATOM 276 HN GLY 18 -20.564 23.473 13.986 1.00 36.04 ATOM 277 CA GLY 18 -22.396 24.407 14.489 1.00 52.40 ATOM 278 HA1 GLY 18 -22.034 25.200 15.126 1.00 36.04 ATOM 279 HA2 GLY 18 -23.339 24.050 14.886 1.00 72.40 ATOM 280 C GLY 18 -22.652 24.980 13.109 1.00 41.01 ATOM 281 O GLY 18 -22.625 26.196 12.920 1.00 34.43 ATOM 282 N GLU 19 -22.899 24.102 12.142 1.00 65.21 ATOM 283 HN GLU 19 -22.903 23.138 12.346 1.00 36.04 ATOM 284 CA GLU 19 -23.157 24.528 10.772 1.00 52.14 ATOM 285 HA GLU 19 -23.262 25.607 10.744 1.00 44.01 ATOM 286 CB GLU 19 -21.997 24.122 9.860 1.00 12.31 ATOM 287 HB1 GLU 19 -22.319 24.168 8.826 1.00 36.04 ATOM 288 HB2 GLU 19 -21.712 23.105 10.091 1.00 74.25 ATOM 289 CG GLU 19 -20.771 25.009 10.004 1.00 74.42 ATOM 290 HG1 GLU 19 -20.450 24.995 11.036 1.00 36.04 ATOM 291 HG2 GLU 19 -21.037 26.018 9.725 1.00 54.11 ATOM 292 CD GLU 19 -19.617 24.554 9.132 1.00 73.14 ATOM 293 OE1 GLU 19 -19.437 25.131 8.039 1.00 51.22 ATOM 294 OE2 GLU 19 -18.895 23.621 9.541 1.00 41.40 ATOM 295 C GLU 19 -24.461 23.928 10.252 1.00 4.21 ATOM 296 O GLU 19 -25.046 23.048 10.882 1.00 2.15 ATOM 297 N ALA 20 -24.909 24.412 9.098 1.00 32.14 ATOM 298 HN ALA 20 -24.400 25.121 8.638 1.00 36.04 ATOM 299 CA ALA 20 -26.142 23.923 8.493 1.00 42.32 ATOM 300 HA ALA 20 -26.715 23.378 9.235 1.00 42.23 ATOM 301 CB ALA 20 -26.999 25.090 8.026 1.00 40.35 ATOM 302 HB1 ALA 20 -27.197 25.744 8.862 1.00 55.25 ATOM 303 HB2 ALA 20 -27.935 24.720 7.632 1.00 5.50 ATOM 304 HB3 ALA 20 -26.476 25.641 7.257 1.00 64.13 ATOM 305 C ALA 20 -25.847 22.982 7.330 1.00 43.22 ATOM 306 O ALA 20 -26.581 22.024 7.092 1.00 23.03 ATOM 307 N GLY 21 -24.767 23.263 6.607 1.00 63.14 ATOM 308 HN GLY 21 -24.217 24.048 6.813 1.00 36.04 ATOM 309 CA GLY 21 -24.394 22.432 5.476 1.00 14.33 ATOM 310 HA1 GLY 21 -24.827 21.443 5.571 1.00 36.04 ATOM 311 HA2 GLY 21 -23.318 22.332 5.470 1.00 22.21 ATOM 312 C GLY 21 -24.825 23.029 4.151 1.00 11.43 ATOM 313 O GLY 21 -25.764 22.545 3.520 1.00 32.42 ATOM 314 N SER 22 -24.138 24.086 3.729 1.00 13.21 ATOM 315 HN SER 22 -23.388 24.423 4.274 1.00 36.04 ATOM 316 CA SER 22 -24.459 24.754 2.473 1.00 3.00 ATOM 317 HA SER 22 -25.535 24.862 2.407 1.00 13.44 ATOM 318 CB SER 22 -23.826 26.146 2.435 1.00 3.32 ATOM 319 HB1 SER 22 -22.785 26.078 2.144 1.00 36.04 ATOM 320 HB2 SER 22 -23.890 26.594 3.417 1.00 53.34 ATOM 321 OG SER 22 -24.503 26.990 1.520 1.00 15.15 ATOM 322 HG SER 22 -24.168 27.886 1.603 1.00 3.40 ATOM 323 C SER 22 -23.977 23.931 1.282 1.00 3.30 ATOM 324 O SER 22 -23.389 22.863 1.449 1.00 23.31 ATOM 325 N ARG 23 -24.231 24.438 0.080 1.00 64.53 ATOM 326 HN ARG 23 -24.704 25.302 0.007 1.00 36.04 ATOM 327 CA ARG 23 -23.824 23.750 -1.140 1.00 74.00 ATOM 328 HA ARG 23 -24.038 22.693 -1.024 1.00 53.20 ATOM 329 CB ARG 23 -24.614 24.281 -2.338 1.00 11.44 ATOM 330 HB1 ARG 23 -24.337 25.312 -2.517 1.00 36.04 ATOM 331 HB2 ARG 23 -25.667 24.241 -2.095 1.00 1.44 ATOM 332 CG ARG 23 -24.387 23.491 -3.616 1.00 12.30 ATOM 333 HG1 ARG 23 -24.638 22.455 -3.439 1.00 36.04 ATOM 334 HG2 ARG 23 -23.348 23.568 -3.900 1.00 12.42 ATOM 335 CD ARG 23 -25.245 24.018 -4.756 1.00 64.01 ATOM 336 HD1 ARG 23 -26.283 24.003 -4.447 1.00 36.04 ATOM 337 HD2 ARG 23 -25.117 23.370 -5.611 1.00 33.32 ATOM 338 NE ARG 23 -24.874 25.379 -5.136 1.00 72.41 ATOM 339 HE ARG 23 -24.066 25.769 -4.727 1.00 62.05 ATOM 340 CZ ARG 23 -25.564 26.113 -6.002 1.00 3.33 ATOM 341 NH1 ARG 23 -26.654 25.621 -6.574 1.00 1.15 ATOM 342 HH11 ARG 23 -26.978 24.699 -6.372 1.00 64.15 ATOM 343 HH12 ARG 23 -27.168 26.184 -7.225 1.00 70.11 ATOM 344 NH2 ARG 23 -25.163 27.344 -6.297 1.00 32.55 ATOM 345 HH21 ARG 23 -24.340 27.722 -5.868 1.00 41.13 ATOM 346 HH22 ARG 23 -25.681 27.900 -6.950 1.00 65.50 ATOM 347 C ARG 23 -22.328 23.920 -1.388 1.00 14.43 ATOM 348 O ARG 23 -21.608 22.944 -1.597 1.00 34.24 ATOM 349 N ASP 24 -21.868 25.166 -1.363 1.00 52.32 ATOM 350 HN ASP 24 -22.496 25.909 -1.191 1.00 36.04 ATOM 351 CA ASP 24 -20.458 25.465 -1.584 1.00 70.04 ATOM 352 HA ASP 24 -20.189 25.107 -2.568 1.00 33.43 ATOM 353 CB ASP 24 -20.217 26.974 -1.514 1.00 72.30 ATOM 354 HB1 ASP 24 -19.152 27.173 -1.492 1.00 36.04 ATOM 355 HB2 ASP 24 -20.669 27.363 -0.615 1.00 4.24 ATOM 356 CG ASP 24 -20.807 27.710 -2.701 1.00 11.24 ATOM 357 OD1 ASP 24 -21.003 28.940 -2.599 1.00 21.42 ATOM 358 OD2 ASP 24 -21.072 27.057 -3.731 1.00 53.34 ATOM 359 C ASP 24 -19.584 24.749 -0.559 1.00 43.44 ATOM 360 O ASP 24 -18.419 24.453 -0.823 1.00 2.32 ATOM 361 N GLU 25 -20.154 24.476 0.610 1.00 73.02 ATOM 362 HN GLU 25 -21.072 24.779 0.793 1.00 36.04 ATOM 363 CA GLU 25 -19.425 23.797 1.675 1.00 72.15 ATOM 364 HA GLU 25 -18.609 24.437 1.976 1.00 24.10 ATOM 365 CB GLU 25 -20.347 23.535 2.867 1.00 0.35 ATOM 366 HB1 GLU 25 -19.963 22.710 3.456 1.00 36.04 ATOM 367 HB2 GLU 25 -21.323 23.276 2.503 1.00 42.13 ATOM 368 CG GLU 25 -20.505 24.733 3.789 1.00 41.11 ATOM 369 HG1 GLU 25 -21.214 24.482 4.563 1.00 36.04 ATOM 370 HG2 GLU 25 -20.880 25.569 3.216 1.00 12.34 ATOM 371 CD GLU 25 -19.200 25.141 4.444 1.00 44.42 ATOM 372 OE1 GLU 25 -19.016 26.350 4.699 1.00 23.21 ATOM 373 OE2 GLU 25 -18.362 24.251 4.701 1.00 0.53 ATOM 374 C GLU 25 -18.834 22.481 1.176 1.00 14.20 ATOM 375 O GLU 25 -17.659 22.192 1.399 1.00 2.35 ATOM 376 N ARG 26 -19.659 21.688 0.500 1.00 21.43 ATOM 377 HN ARG 26 -20.563 22.005 0.307 1.00 36.04 ATOM 378 CA ARG 26 -19.220 20.402 -0.028 1.00 64.14 ATOM 379 HA ARG 26 -18.958 19.766 0.802 1.00 23.12 ATOM 380 CB ARG 26 -20.345 19.744 -0.829 1.00 11.12 ATOM 381 HB1 ARG 26 -19.926 18.972 -1.465 1.00 36.04 ATOM 382 HB2 ARG 26 -20.816 20.488 -1.458 1.00 2.23 ATOM 383 CG ARG 26 -21.408 19.091 0.039 1.00 15.10 ATOM 384 HG1 ARG 26 -20.930 18.475 0.790 1.00 36.04 ATOM 385 HG2 ARG 26 -22.030 18.470 -0.589 1.00 22.31 ATOM 386 CD ARG 26 -22.288 20.129 0.719 1.00 44.35 ATOM 387 HD1 ARG 26 -23.297 19.746 0.768 1.00 36.04 ATOM 388 HD2 ARG 26 -22.303 21.037 0.132 1.00 71.51 ATOM 389 NE ARG 26 -21.823 20.442 2.067 1.00 31.44 ATOM 390 HE ARG 26 -21.322 21.253 2.190 1.00 50.32 ATOM 391 CZ ARG 26 -22.061 19.671 3.123 1.00 1.53 ATOM 392 NH1 ARG 26 -22.754 18.549 2.987 1.00 42.30 ATOM 393 HH11 ARG 26 -23.107 18.255 2.103 1.00 2.43 ATOM 394 HH12 ARG 26 -22.930 17.978 3.792 1.00 34.45 ATOM 395 NH2 ARG 26 -21.605 20.023 4.319 1.00 43.13 ATOM 396 HH21 ARG 26 -21.081 20.870 4.429 1.00 3.23 ATOM 397 HH22 ARG 26 -21.783 19.444 5.117 1.00 52.14 ATOM 398 C ARG 26 -17.985 20.570 -0.910 1.00 31.45 ATOM 399 O ARG 26 -17.087 19.727 -0.904 1.00 55.13 ATOM 400 N ARG 27 -17.948 21.662 -1.665 1.00 40.23 ATOM 401 HN ARG 27 -18.690 22.309 -1.616 1.00 36.04 ATOM 402 CA ARG 27 -16.825 21.939 -2.553 1.00 10.31 ATOM 403 HA ARG 27 -16.634 21.054 -3.148 1.00 74.50 ATOM 404 CB ARG 27 -17.165 23.097 -3.494 1.00 23.24 ATOM 405 HB1 ARG 27 -16.409 23.135 -4.242 1.00 36.04 ATOM 406 HB2 ARG 27 -17.167 24.027 -2.940 1.00 12.32 ATOM 407 CG ARG 27 -18.514 22.950 -4.177 1.00 52.23 ATOM 408 HG1 ARG 27 -19.272 23.393 -3.551 1.00 36.04 ATOM 409 HG2 ARG 27 -18.736 21.901 -4.325 1.00 11.13 ATOM 410 CD ARG 27 -18.530 23.640 -5.533 1.00 30.34 ATOM 411 HD1 ARG 27 -17.832 23.126 -6.180 1.00 36.04 ATOM 412 HD2 ARG 27 -18.220 24.670 -5.411 1.00 71.12 ATOM 413 NE ARG 27 -19.857 23.619 -6.142 1.00 32.22 ATOM 414 HE ARG 27 -20.622 23.364 -5.574 1.00 20.04 ATOM 415 CZ ARG 27 -20.087 23.929 -7.413 1.00 13.12 ATOM 416 NH1 ARG 27 -19.084 24.282 -8.205 1.00 31.24 ATOM 417 HH11 ARG 27 -18.145 24.326 -7.871 1.00 22.21 ATOM 418 HH12 ARG 27 -19.268 24.511 -9.163 1.00 21.23 ATOM 419 NH2 ARG 27 -21.323 23.886 -7.894 1.00 51.51 ATOM 420 HH21 ARG 27 -22.085 23.620 -7.301 1.00 61.22 ATOM 421 HH22 ARG 27 -21.499 24.120 -8.853 1.00 53.25 ATOM 422 C ARG 27 -15.569 22.272 -1.753 1.00 21.21 ATOM 423 O ARG 27 -14.451 22.021 -2.202 1.00 2.52 ATOM 424 N ALA 28 -15.762 22.838 -0.566 1.00 31.51 ATOM 425 HN ALA 28 -16.671 23.043 -0.267 1.00 36.04 ATOM 426 CA ALA 28 -14.646 23.203 0.297 1.00 65.20 ATOM 427 HA ALA 28 -13.897 23.706 -0.304 1.00 62.22 ATOM 428 CB ALA 28 -15.106 24.175 1.373 1.00 33.53 ATOM 429 HB1 ALA 28 -14.250 24.556 1.910 1.00 25.35 ATOM 430 HB2 ALA 28 -15.777 23.681 2.062 1.00 5.52 ATOM 431 HB3 ALA 28 -15.620 24.984 0.896 1.00 30.10 ATOM 432 C ALA 28 -14.015 21.968 0.931 1.00 30.23 ATOM 433 O ALA 28 -12.835 21.683 0.721 1.00 74.43 ATOM 434 N LEU 29 -14.807 21.238 1.709 1.00 12.31 ATOM 435 HN LEU 29 -15.731 21.540 1.857 1.00 36.04 ATOM 436 CA LEU 29 -14.326 20.033 2.375 1.00 31.04 ATOM 437 HA LEU 29 -13.515 20.314 3.033 1.00 12.33 ATOM 438 CB LEU 29 -15.444 19.407 3.211 1.00 54.41 ATOM 439 HB1 LEU 29 -15.541 20.010 4.104 1.00 36.04 ATOM 440 HB2 LEU 29 -15.123 18.418 3.525 1.00 53.10 ATOM 441 CG LEU 29 -16.812 19.308 2.535 1.00 53.52 ATOM 442 HG LEU 29 -16.782 19.751 1.551 1.00 53.24 ATOM 443 CD1 LEU 29 -17.212 17.853 2.349 1.00 21.11 ATOM 444 HD11 LEU 29 -18.170 17.801 1.849 1.00 74.21 ATOM 445 HD12 LEU 29 -17.284 17.367 3.313 1.00 3.41 ATOM 446 HD13 LEU 29 -16.469 17.347 1.747 1.00 53.41 ATOM 447 CD2 LEU 29 -17.863 20.053 3.346 1.00 71.34 ATOM 448 HD21 LEU 29 -18.807 20.042 2.826 1.00 53.03 ATOM 449 HD22 LEU 29 -17.551 21.075 3.500 1.00 70.32 ATOM 450 HD23 LEU 29 -17.983 19.574 4.308 1.00 13.34 ATOM 451 C LEU 29 -13.807 19.020 1.360 1.00 22.12 ATOM 452 O LEU 29 -12.956 18.189 1.677 1.00 0.20 ATOM 453 N ALA 30 -14.323 19.097 0.138 1.00 35.41 ATOM 454 HN ALA 30 -15.036 19.745 -0.056 1.00 36.04 ATOM 455 CA ALA 30 -13.909 18.189 -0.925 1.00 1.42 ATOM 456 HA ALA 30 -14.041 17.173 -0.575 1.00 41.21 ATOM 457 CB ALA 30 -14.788 18.378 -2.152 1.00 42.14 ATOM 458 HB1 ALA 30 -15.777 18.002 -1.943 1.00 71.43 ATOM 459 HB2 ALA 30 -14.374 17.835 -2.993 1.00 75.25 ATOM 460 HB3 ALA 30 -14.847 19.428 -2.395 1.00 44.43 ATOM 461 C ALA 30 -12.442 18.399 -1.285 1.00 10.33 ATOM 462 O ALA 30 -11.723 17.445 -1.579 1.00 40.13 ATOM 463 N MET 31 -12.005 19.654 -1.259 1.00 51.24 ATOM 464 HN MET 31 -12.620 20.385 -1.018 1.00 36.04 ATOM 465 CA MET 31 -10.623 19.988 -1.583 1.00 1.41 ATOM 466 HA MET 31 -10.179 19.171 -2.133 1.00 13.52 ATOM 467 CB MET 31 -10.569 21.252 -2.444 1.00 73.42 ATOM 468 HB1 MET 31 -9.535 21.526 -2.616 1.00 36.04 ATOM 469 HB2 MET 31 -11.059 22.055 -1.912 1.00 44.21 ATOM 470 CG MET 31 -11.252 21.097 -3.793 1.00 74.43 ATOM 471 HG1 MET 31 -11.227 22.049 -4.300 1.00 36.04 ATOM 472 HG2 MET 31 -12.277 20.797 -3.638 1.00 30.34 ATOM 473 SD MET 31 -10.441 19.879 -4.847 1.00 43.30 ATOM 474 CE MET 31 -8.989 20.793 -5.363 1.00 71.45 ATOM 475 HE1 MET 31 -8.289 20.843 -4.547 1.00 70.33 ATOM 476 HE2 MET 31 -9.280 21.789 -5.652 1.00 52.13 ATOM 477 HE3 MET 31 -8.529 20.294 -6.203 1.00 12.04 ATOM 478 C MET 31 -9.801 20.189 -0.314 1.00 22.03 ATOM 479 O MET 31 -8.644 20.607 -0.370 1.00 60.54 ATOM 480 N LYS 32 -10.405 19.889 0.831 1.00 53.31 ATOM 481 HN LYS 32 -11.313 19.559 0.841 1.00 36.04 ATOM 482 CA LYS 32 -9.730 20.036 2.115 1.00 64.43 ATOM 483 HA LYS 32 -10.463 19.890 2.894 1.00 64.22 ATOM 484 CB LYS 32 -8.632 18.979 2.260 1.00 33.21 ATOM 485 HB1 LYS 32 -8.310 18.956 3.292 1.00 36.04 ATOM 486 HB2 LYS 32 -7.791 19.251 1.634 1.00 64.22 ATOM 487 CG LYS 32 -9.077 17.582 1.864 1.00 33.52 ATOM 488 HG1 LYS 32 -9.379 17.583 0.825 1.00 36.04 ATOM 489 HG2 LYS 32 -9.919 17.300 2.480 1.00 1.02 ATOM 490 CD LYS 32 -7.967 16.564 2.066 1.00 3.44 ATOM 491 HD1 LYS 32 -8.405 15.576 2.092 1.00 36.04 ATOM 492 HD2 LYS 32 -7.464 16.754 3.006 1.00 64.01 ATOM 493 CE LYS 32 -6.946 16.622 0.940 1.00 0.32 ATOM 494 HE1 LYS 32 -5.994 16.290 1.328 1.00 36.04 ATOM 495 HE2 LYS 32 -6.845 17.637 0.581 1.00 2.14 ATOM 496 NZ LYS 32 -7.326 15.741 -0.199 1.00 1.24 ATOM 497 HZ1 LYS 32 -7.393 14.751 0.116 1.00 64.42 ATOM 498 HZ2 LYS 32 -6.609 15.803 -0.950 1.00 34.34 ATOM 499 HZ3 LYS 32 -8.245 16.033 -0.592 1.00 53.23 ATOM 500 C LYS 32 -9.129 21.430 2.258 1.00 41.34 ATOM 501 O LYS 32 -7.908 21.591 2.281 1.00 73.03 ATOM 502 N ILE 33 -9.993 22.435 2.355 1.00 73.35 ATOM 503 HN ILE 33 -10.961 22.245 2.343 1.00 36.04 ATOM 504 CA ILE 33 -9.547 23.815 2.498 1.00 70.10 ATOM 505 HA ILE 33 -8.645 23.916 1.918 1.00 54.40 ATOM 506 CB ILE 33 -10.590 24.804 1.945 1.00 42.21 ATOM 507 HB ILE 33 -11.497 24.708 2.526 1.00 44.34 ATOM 508 CG1 ILE 33 -10.904 24.483 0.482 1.00 33.24 ATOM 509 HG11 ILE 33 -11.662 25.166 0.124 1.00 36.04 ATOM 510 HG12 ILE 33 -11.279 23.477 0.407 1.00 33.21 ATOM 511 CG2 ILE 33 -10.089 26.234 2.083 1.00 43.02 ATOM 512 HG21 ILE 33 -9.197 26.381 1.502 1.00 62.10 ATOM 513 HG22 ILE 33 -9.884 26.452 3.102 1.00 52.23 ATOM 514 HG23 ILE 33 -10.852 26.913 1.729 1.00 32.15 ATOM 515 CD1 ILE 33 -9.706 24.599 -0.433 1.00 63.00 ATOM 516 HD11 ILE 33 -9.914 25.340 -1.192 1.00 42.23 ATOM 517 HD12 ILE 33 -9.535 23.647 -0.913 1.00 73.13 ATOM 518 HD13 ILE 33 -8.814 24.884 0.103 1.00 25.22 ATOM 519 C ILE 33 -9.266 24.153 3.958 1.00 35.02 ATOM 520 O ILE 33 -10.061 23.861 4.853 1.00 64.05 ATOM 521 N PRO 34 -8.110 24.785 4.207 1.00 12.45 ATOM 522 CA PRO 34 -7.699 25.180 5.558 1.00 23.31 ATOM 523 HA PRO 34 -7.724 24.343 6.241 1.00 30.44 ATOM 524 CB PRO 34 -6.252 25.643 5.367 1.00 15.41 ATOM 525 HB1 PRO 34 -5.585 24.816 5.560 1.00 36.04 ATOM 526 HB2 PRO 34 -6.017 26.459 6.039 1.00 35.53 ATOM 527 CG PRO 34 -6.176 26.067 3.941 1.00 64.21 ATOM 528 HG1 PRO 34 -5.168 25.940 3.575 1.00 36.04 ATOM 529 HG2 PRO 34 -6.476 27.083 3.850 1.00 72.21 ATOM 530 CD PRO 34 -7.116 25.165 3.190 1.00 63.21 ATOM 531 HD1 PRO 34 -6.588 24.296 2.825 1.00 36.04 ATOM 532 HD2 PRO 34 -7.554 25.701 2.378 1.00 42.44 ATOM 533 C PRO 34 -8.552 26.313 6.116 1.00 13.24 ATOM 534 O PRO 34 -8.915 26.309 7.293 1.00 3.31 ATOM 535 N PHE 35 -8.871 27.283 5.265 1.00 62.50 ATOM 536 HN PHE 35 -8.585 27.212 4.341 1.00 36.04 ATOM 537 CA PHE 35 -9.682 28.423 5.674 1.00 42.41 ATOM 538 HA PHE 35 -9.609 28.519 6.750 1.00 64.32 ATOM 539 CB PHE 35 -9.147 29.710 5.041 1.00 24.42 ATOM 540 HB1 PHE 35 -8.202 29.956 5.509 1.00 36.04 ATOM 541 HB2 PHE 35 -9.837 30.524 5.219 1.00 33.42 ATOM 542 CG PHE 35 -8.924 29.601 3.560 1.00 45.21 ATOM 543 CD1 PHE 35 -7.681 29.252 3.057 1.00 63.41 ATOM 544 HD1 PHE 35 -6.864 29.067 3.738 1.00 62.03 ATOM 545 CD2 PHE 35 -9.957 29.848 2.670 1.00 3.44 ATOM 546 HD2 PHE 35 -10.930 30.123 3.046 1.00 65.01 ATOM 547 CE1 PHE 35 -7.473 29.152 1.694 1.00 23.02 ATOM 548 HE1 PHE 35 -6.500 28.878 1.321 1.00 45.13 ATOM 549 CE2 PHE 35 -9.755 29.750 1.307 1.00 63.05 ATOM 550 HE2 PHE 35 -10.555 29.945 0.626 1.00 70.25 ATOM 551 CZ PHE 35 -8.511 29.400 0.818 1.00 52.20 ATOM 552 HZ PHE 35 -8.349 29.326 -0.244 1.00 50.40 ATOM 553 C PHE 35 -11.143 28.220 5.282 1.00 4.34 ATOM 554 O PHE 35 -11.466 27.474 4.358 1.00 40.42 ATOM 555 N PRO 36 -12.048 28.899 6.003 1.00 44.31 ATOM 556 CA PRO 36 -13.489 28.810 5.750 1.00 2.42 ATOM 557 HA PRO 36 -13.827 27.783 5.754 1.00 12.30 ATOM 558 CB PRO 36 -14.104 29.556 6.937 1.00 23.35 ATOM 559 HB1 PRO 36 -14.349 28.851 7.717 1.00 36.04 ATOM 560 HB2 PRO 36 -14.993 30.081 6.633 1.00 72.22 ATOM 561 CG PRO 36 -13.041 30.500 7.383 1.00 13.04 ATOM 562 HG1 PRO 36 -13.150 30.708 8.437 1.00 36.04 ATOM 563 HG2 PRO 36 -13.105 31.400 6.816 1.00 23.40 ATOM 564 CD PRO 36 -11.733 29.807 7.120 1.00 74.55 ATOM 565 HD1 PRO 36 -11.420 29.251 7.992 1.00 36.04 ATOM 566 HD2 PRO 36 -10.988 30.530 6.849 1.00 75.35 ATOM 567 C PRO 36 -13.889 29.476 4.438 1.00 14.11 ATOM 568 O PRO 36 -13.193 30.361 3.940 1.00 3.44 ATOM 569 N THR 37 -15.017 29.045 3.881 1.00 11.32 ATOM 570 HN THR 37 -15.544 28.352 4.343 1.00 36.04 ATOM 571 CA THR 37 -15.510 29.599 2.626 1.00 31.05 ATOM 572 HA THR 37 -14.689 29.646 1.932 1.00 3.14 ATOM 573 CB THR 37 -16.605 28.707 2.010 1.00 3.35 ATOM 574 HB THR 37 -16.837 29.075 1.021 1.00 3.25 ATOM 575 OG1 THR 37 -17.788 28.758 2.815 1.00 31.01 ATOM 576 HG1 THR 37 -17.618 28.426 3.706 1.00 22.22 ATOM 577 CG2 THR 37 -16.127 27.268 1.892 1.00 30.12 ATOM 578 HG21 THR 37 -16.887 26.683 1.396 1.00 11.21 ATOM 579 HG22 THR 37 -15.948 26.859 2.874 1.00 10.23 ATOM 580 HG23 THR 37 -15.215 27.232 1.313 1.00 71.15 ATOM 581 C THR 37 -16.068 31.003 2.827 1.00 43.53 ATOM 582 O THR 37 -15.962 31.855 1.944 1.00 4.54 ATOM 583 N ASP 38 -16.661 31.239 3.992 1.00 72.43 ATOM 584 HN ASP 38 -16.750 30.506 4.643 1.00 36.04 ATOM 585 CA ASP 38 -17.234 32.542 4.309 1.00 74.44 ATOM 586 HA ASP 38 -17.979 32.773 3.560 1.00 15.54 ATOM 587 CB ASP 38 -17.911 32.505 5.680 1.00 74.05 ATOM 588 HB1 ASP 38 -18.762 31.840 5.631 1.00 36.04 ATOM 589 HB2 ASP 38 -18.254 33.497 5.944 1.00 64.24 ATOM 590 CG ASP 38 -16.982 32.011 6.771 1.00 75.20 ATOM 591 OD1 ASP 38 -16.133 32.803 7.231 1.00 31.52 ATOM 592 OD2 ASP 38 -17.105 30.833 7.166 1.00 74.45 ATOM 593 C ASP 38 -16.163 33.627 4.286 1.00 65.14 ATOM 594 O ASP 38 -16.425 34.767 3.901 1.00 35.42 ATOM 595 N LYS 39 -14.953 33.266 4.701 1.00 71.42 ATOM 596 HN LYS 39 -14.798 32.343 5.011 1.00 36.04 ATOM 597 CA LYS 39 -13.840 34.207 4.728 1.00 12.23 ATOM 598 HA LYS 39 -14.159 35.098 5.243 1.00 33.45 ATOM 599 CB LYS 39 -12.657 33.608 5.491 1.00 21.24 ATOM 600 HB1 LYS 39 -12.369 32.677 5.024 1.00 36.04 ATOM 601 HB2 LYS 39 -12.983 33.412 6.502 1.00 22.13 ATOM 602 CG LYS 39 -11.443 34.519 5.544 1.00 64.32 ATOM 603 HG1 LYS 39 -11.766 35.548 5.657 1.00 36.04 ATOM 604 HG2 LYS 39 -10.905 34.414 4.613 1.00 54.42 ATOM 605 CD LYS 39 -10.510 34.140 6.682 1.00 20.10 ATOM 606 HD1 LYS 39 -9.503 34.087 6.295 1.00 36.04 ATOM 607 HD2 LYS 39 -10.786 33.173 7.086 1.00 53.43 ATOM 608 CE LYS 39 -10.544 35.173 7.798 1.00 42.24 ATOM 609 HE1 LYS 39 -11.529 35.623 7.851 1.00 36.04 ATOM 610 HE2 LYS 39 -9.814 35.938 7.583 1.00 62.41 ATOM 611 NZ LYS 39 -10.230 34.570 9.122 1.00 32.44 ATOM 612 HZ1 LYS 39 -9.278 34.148 9.111 1.00 73.33 ATOM 613 HZ2 LYS 39 -10.923 33.830 9.357 1.00 53.44 ATOM 614 HZ3 LYS 39 -10.262 35.301 9.861 1.00 63.40 ATOM 615 C LYS 39 -13.409 34.582 3.314 1.00 73.22 ATOM 616 O LYS 39 -12.781 35.619 3.101 1.00 64.12 ATOM 617 N ILE 40 -13.753 33.733 2.351 1.00 25.53 ATOM 618 HN ILE 40 -14.230 32.912 2.572 1.00 36.04 ATOM 619 CA ILE 40 -13.403 33.977 0.957 1.00 31.34 ATOM 620 HA ILE 40 -12.349 34.230 0.909 1.00 24.34 ATOM 621 CB ILE 40 -13.638 32.725 0.091 1.00 42.54 ATOM 622 HB ILE 40 -14.684 32.474 0.127 1.00 43.44 ATOM 623 CG1 ILE 40 -12.819 31.548 0.624 1.00 73.10 ATOM 624 HG11 ILE 40 -13.055 31.381 1.665 1.00 36.04 ATOM 625 HG12 ILE 40 -11.767 31.774 0.535 1.00 33.44 ATOM 626 CG2 ILE 40 -13.281 33.012 -1.360 1.00 61.33 ATOM 627 HG21 ILE 40 -14.181 32.944 -1.949 1.00 72.40 ATOM 628 HG22 ILE 40 -12.567 32.296 -1.737 1.00 10.23 ATOM 629 HG23 ILE 40 -12.864 33.995 -1.478 1.00 61.51 ATOM 630 CD1 ILE 40 -13.078 30.251 -0.110 1.00 23.21 ATOM 631 HD11 ILE 40 -14.139 30.054 -0.125 1.00 25.22 ATOM 632 HD12 ILE 40 -12.578 29.442 0.397 1.00 13.05 ATOM 633 HD13 ILE 40 -12.718 30.319 -1.120 1.00 33.33 ATOM 634 C ILE 40 -14.209 35.137 0.384 1.00 41.32 ATOM 635 O ILE 40 -13.710 35.909 -0.435 1.00 4.31 ATOM 636 N VAL 41 -15.459 35.256 0.821 1.00 62.35 ATOM 637 HN VAL 41 -15.820 34.602 1.463 1.00 36.04 ATOM 638 CA VAL 41 -16.334 36.324 0.353 1.00 0.11 ATOM 639 HA VAL 41 -15.954 36.703 -0.591 1.00 11.45 ATOM 640 CB VAL 41 -17.767 35.812 0.114 1.00 64.34 ATOM 641 HB VAL 41 -18.219 35.579 1.070 1.00 70.15 ATOM 642 CG1 VAL 41 -18.611 36.882 -0.561 1.00 41.10 ATOM 643 HG11 VAL 41 -18.120 37.213 -1.459 1.00 24.11 ATOM 644 HG12 VAL 41 -18.748 37.718 0.106 1.00 51.40 ATOM 645 HG13 VAL 41 -19.581 36.475 -0.815 1.00 3.24 ATOM 646 CG2 VAL 41 -17.744 34.537 -0.716 1.00 53.03 ATOM 647 HG21 VAL 41 -17.324 34.747 -1.684 1.00 30.22 ATOM 648 HG22 VAL 41 -18.751 34.170 -0.832 1.00 32.14 ATOM 649 HG23 VAL 41 -17.152 33.781 -0.221 1.00 61.31 ATOM 650 C VAL 41 -16.378 37.475 1.352 1.00 41.01 ATOM 651 O VAL 41 -16.669 38.614 0.989 1.00 34.14 ATOM 652 N ASN 42 -16.086 37.169 2.612 1.00 43.31 ATOM 653 HN ASN 42 -15.870 36.242 2.855 1.00 36.04 ATOM 654 CA ASN 42 -16.092 38.179 3.665 1.00 62.25 ATOM 655 HA ASN 42 -17.012 38.749 3.584 1.00 11.34 ATOM 656 CB ASN 42 -16.029 37.512 5.040 1.00 31.30 ATOM 657 HB1 ASN 42 -15.544 38.176 5.747 1.00 36.04 ATOM 658 HB2 ASN 42 -15.463 36.606 4.979 1.00 40.13 ATOM 659 CG ASN 42 -17.405 37.189 5.589 1.00 33.51 ATOM 660 OD1 ASN 42 -17.693 37.439 6.759 1.00 14.15 ATOM 661 ND2 ASN 42 -18.263 36.629 4.744 1.00 61.32 ATOM 662 HD21 ASN 42 -17.997 36.436 3.825 1.00 32.10 ATOM 663 HD22 ASN 42 -19.158 36.425 5.087 1.00 21.03 ATOM 664 C ASN 42 -14.921 39.143 3.501 1.00 64.34 ATOM 665 O ASN 42 -15.084 40.359 3.608 1.00 65.12 ATOM 666 N LEU 43 -13.740 38.592 3.240 1.00 74.24 ATOM 667 HN LEU 43 -13.668 37.610 3.167 1.00 36.04 ATOM 668 CA LEU 43 -12.541 39.402 3.060 1.00 43.23 ATOM 669 HA LEU 43 -12.502 40.099 3.883 1.00 75.34 ATOM 670 CB LEU 43 -11.295 38.515 3.079 1.00 44.21 ATOM 671 HB1 LEU 43 -10.496 39.009 2.544 1.00 36.04 ATOM 672 HB2 LEU 43 -11.532 37.609 2.539 1.00 3.21 ATOM 673 CG LEU 43 -10.769 38.126 4.461 1.00 20.00 ATOM 674 HG LEU 43 -11.580 37.715 5.045 1.00 23.33 ATOM 675 CD1 LEU 43 -9.691 37.060 4.341 1.00 1.04 ATOM 676 HD11 LEU 43 -9.383 36.744 5.328 1.00 55.43 ATOM 677 HD12 LEU 43 -8.838 37.462 3.810 1.00 2.11 ATOM 678 HD13 LEU 43 -10.079 36.210 3.799 1.00 72.35 ATOM 679 CD2 LEU 43 -10.234 39.349 5.192 1.00 62.31 ATOM 680 HD21 LEU 43 -9.896 39.059 6.177 1.00 51.35 ATOM 681 HD22 LEU 43 -11.011 40.090 5.292 1.00 33.51 ATOM 682 HD23 LEU 43 -9.404 39.769 4.642 1.00 1.51 ATOM 683 C LEU 43 -12.603 40.184 1.751 1.00 24.42 ATOM 684 O LEU 43 -13.332 39.832 0.824 1.00 51.32 ATOM 685 N PRO 44 -11.818 41.268 1.672 1.00 44.32 ATOM 686 CA PRO 44 -11.763 42.120 0.480 1.00 12.53 ATOM 687 HA PRO 44 -12.748 42.453 0.185 1.00 45.11 ATOM 688 CB PRO 44 -10.932 43.320 0.940 1.00 4.52 ATOM 689 HB1 PRO 44 -11.594 44.098 1.290 1.00 36.04 ATOM 690 HB2 PRO 44 -10.324 43.703 0.129 1.00 53.42 ATOM 691 CG PRO 44 -10.092 42.795 2.053 1.00 42.30 ATOM 692 HG1 PRO 44 -9.851 43.592 2.741 1.00 36.04 ATOM 693 HG2 PRO 44 -9.201 42.363 1.654 1.00 12.24 ATOM 694 CD PRO 44 -10.922 41.746 2.739 1.00 54.01 ATOM 695 HD1 PRO 44 -11.484 42.178 3.554 1.00 36.04 ATOM 696 HD2 PRO 44 -10.282 40.971 3.092 1.00 44.15 ATOM 697 C PRO 44 -11.090 41.426 -0.699 1.00 0.33 ATOM 698 O PRO 44 -10.608 40.300 -0.576 1.00 73.13 ATOM 699 N VAL 45 -11.059 42.106 -1.841 1.00 33.32 ATOM 700 HN VAL 45 -11.466 43.004 -1.876 1.00 36.04 ATOM 701 CA VAL 45 -10.443 41.555 -3.042 1.00 34.41 ATOM 702 HA VAL 45 -10.831 40.552 -3.189 1.00 3.22 ATOM 703 CB VAL 45 -10.788 42.395 -4.286 1.00 4.54 ATOM 704 HB VAL 45 -11.860 42.524 -4.323 1.00 14.11 ATOM 705 CG1 VAL 45 -10.146 43.772 -4.194 1.00 71.42 ATOM 706 HG11 VAL 45 -10.533 44.393 -4.988 1.00 72.13 ATOM 707 HG12 VAL 45 -9.073 43.697 -4.300 1.00 45.51 ATOM 708 HG13 VAL 45 -10.381 44.230 -3.244 1.00 35.35 ATOM 709 CG2 VAL 45 -10.349 41.677 -5.552 1.00 64.34 ATOM 710 HG21 VAL 45 -10.770 40.681 -5.572 1.00 4.40 ATOM 711 HG22 VAL 45 -9.271 41.612 -5.590 1.00 1.22 ATOM 712 HG23 VAL 45 -10.702 42.226 -6.413 1.00 71.21 ATOM 713 C VAL 45 -8.928 41.479 -2.897 1.00 24.31 ATOM 714 O VAL 45 -8.269 40.678 -3.562 1.00 14.34 ATOM 715 N ASP 46 -8.380 42.316 -2.023 1.00 41.34 ATOM 716 HN ASP 46 -8.949 42.943 -1.523 1.00 36.04 ATOM 717 CA ASP 46 -6.941 42.344 -1.789 1.00 62.51 ATOM 718 HA ASP 46 -6.440 42.242 -2.747 1.00 54.52 ATOM 719 CB ASP 46 -6.533 43.667 -1.140 1.00 32.03 ATOM 720 HB1 ASP 46 -5.856 43.484 -0.313 1.00 36.04 ATOM 721 HB2 ASP 46 -7.407 44.178 -0.762 1.00 44.53 ATOM 722 CG ASP 46 -5.834 44.597 -2.111 1.00 52.52 ATOM 723 OD1 ASP 46 -6.303 44.713 -3.263 1.00 3.03 ATOM 724 OD2 ASP 46 -4.818 45.210 -1.720 1.00 70.41 ATOM 725 C ASP 46 -6.512 41.176 -0.906 1.00 22.10 ATOM 726 O ASP 46 -5.737 40.317 -1.328 1.00 51.32 ATOM 727 N ASP 47 -7.020 41.152 0.321 1.00 24.53 ATOM 728 HN ASP 47 -7.623 41.872 0.600 1.00 36.04 ATOM 729 CA ASP 47 -6.689 40.089 1.264 1.00 11.55 ATOM 730 HA ASP 47 -5.638 40.186 1.505 1.00 11.40 ATOM 731 CB ASP 47 -7.524 40.231 2.538 1.00 53.00 ATOM 732 HB1 ASP 47 -8.407 39.610 2.481 1.00 36.04 ATOM 733 HB2 ASP 47 -7.828 41.259 2.654 1.00 22.13 ATOM 734 CG ASP 47 -6.750 39.847 3.784 1.00 51.33 ATOM 735 OD1 ASP 47 -6.537 40.727 4.644 1.00 61.03 ATOM 736 OD2 ASP 47 -6.357 38.667 3.898 1.00 4.31 ATOM 737 C ASP 47 -6.920 38.717 0.640 1.00 61.10 ATOM 738 O ASP 47 -6.137 37.789 0.847 1.00 12.43 ATOM 739 N PHE 48 -8.000 38.594 -0.125 1.00 1.44 ATOM 740 HN PHE 48 -8.601 39.367 -0.246 1.00 36.04 ATOM 741 CA PHE 48 -8.335 37.335 -0.778 1.00 32.51 ATOM 742 HA PHE 48 -8.458 36.581 -0.012 1.00 64.33 ATOM 743 CB PHE 48 -9.649 37.470 -1.551 1.00 1.05 ATOM 744 HB1 PHE 48 -9.579 38.324 -2.212 1.00 36.04 ATOM 745 HB2 PHE 48 -10.452 37.635 -0.846 1.00 45.34 ATOM 746 CG PHE 48 -9.995 36.255 -2.362 1.00 60.34 ATOM 747 CD1 PHE 48 -10.206 36.355 -3.728 1.00 62.41 ATOM 748 HD1 PHE 48 -10.119 37.318 -4.213 1.00 4.02 ATOM 749 CD2 PHE 48 -10.110 35.012 -1.760 1.00 10.44 ATOM 750 HD2 PHE 48 -9.948 34.917 -0.695 1.00 55.45 ATOM 751 CE1 PHE 48 -10.524 35.238 -4.478 1.00 40.13 ATOM 752 HE1 PHE 48 -10.686 35.329 -5.542 1.00 13.40 ATOM 753 CE2 PHE 48 -10.428 33.892 -2.505 1.00 5.54 ATOM 754 HE2 PHE 48 -10.518 32.949 -2.015 1.00 22.10 ATOM 755 CZ PHE 48 -10.636 34.006 -3.865 1.00 70.44 ATOM 756 HZ PHE 48 -10.884 33.132 -4.449 1.00 2.04 ATOM 757 C PHE 48 -7.219 36.898 -1.722 1.00 73.35 ATOM 758 O PHE 48 -6.735 35.769 -1.648 1.00 54.24 ATOM 759 N ASN 49 -6.817 37.801 -2.611 1.00 24.14 ATOM 760 HN ASN 49 -7.248 38.690 -2.624 1.00 36.04 ATOM 761 CA ASN 49 -5.759 37.509 -3.571 1.00 43.32 ATOM 762 HA ASN 49 -6.118 36.738 -4.240 1.00 62.31 ATOM 763 CB ASN 49 -5.414 38.763 -4.378 1.00 72.20 ATOM 764 HB1 ASN 49 -4.477 38.614 -4.901 1.00 36.04 ATOM 765 HB2 ASN 49 -5.312 39.600 -3.702 1.00 64.13 ATOM 766 CG ASN 49 -6.476 39.097 -5.408 1.00 64.04 ATOM 767 OD1 ASN 49 -7.170 38.213 -5.910 1.00 31.33 ATOM 768 ND2 ASN 49 -6.605 40.379 -5.729 1.00 75.04 ATOM 769 HD21 ASN 49 -6.021 41.043 -5.296 1.00 24.52 ATOM 770 HD22 ASN 49 -7.286 40.616 -6.393 1.00 45.14 ATOM 771 C ASN 49 -4.511 36.987 -2.865 1.00 34.12 ATOM 772 O ASN 49 -3.785 36.153 -3.404 1.00 21.12 ATOM 773 N GLU 50 -4.271 37.484 -1.655 1.00 60.33 ATOM 774 HN GLU 50 -4.871 38.166 -1.274 1.00 36.04 ATOM 775 CA GLU 50 -3.111 37.067 -0.876 1.00 34.23 ATOM 776 HA GLU 50 -2.289 36.867 -1.556 1.00 22.52 ATOM 777 CB GLU 50 -2.693 38.177 0.091 1.00 32.30 ATOM 778 HB1 GLU 50 -2.046 37.755 0.854 1.00 36.04 ATOM 779 HB2 GLU 50 -3.577 38.577 0.567 1.00 1.11 ATOM 780 CG GLU 50 -1.956 39.323 -0.581 1.00 21.04 ATOM 781 HG1 GLU 50 -2.682 39.998 -1.008 1.00 36.04 ATOM 782 HG2 GLU 50 -1.323 38.932 -1.367 1.00 63.04 ATOM 783 CD GLU 50 -1.084 40.101 0.385 1.00 2.34 ATOM 784 OE1 GLU 50 0.070 39.681 0.613 1.00 62.15 ATOM 785 OE2 GLU 50 -1.555 41.130 0.914 1.00 23.32 ATOM 786 C GLU 50 -3.409 35.787 -0.100 1.00 30.11 ATOM 787 O GLU 50 -2.500 35.029 0.241 1.00 33.53 ATOM 788 N LEU 51 -4.687 35.553 0.176 1.00 13.32 ATOM 789 HN LEU 51 -5.364 36.209 -0.074 1.00 36.04 ATOM 790 CA LEU 51 -5.106 34.366 0.912 1.00 34.34 ATOM 791 HA LEU 51 -4.557 34.333 1.839 1.00 71.01 ATOM 792 CB LEU 51 -6.599 34.444 1.238 1.00 20.21 ATOM 793 HB1 LEU 51 -7.141 34.459 0.302 1.00 36.04 ATOM 794 HB2 LEU 51 -6.783 35.383 1.744 1.00 61.30 ATOM 795 CG LEU 51 -7.159 33.308 2.095 1.00 53.10 ATOM 796 HG LEU 51 -6.829 32.359 1.703 1.00 62.51 ATOM 797 CD1 LEU 51 -6.655 33.420 3.525 1.00 20.23 ATOM 798 HD11 LEU 51 -7.050 32.603 4.114 1.00 45.32 ATOM 799 HD12 LEU 51 -6.977 34.359 3.954 1.00 24.53 ATOM 800 HD13 LEU 51 -5.575 33.374 3.534 1.00 62.12 ATOM 801 CD2 LEU 51 -8.681 33.316 2.062 1.00 63.42 ATOM 802 HD21 LEU 51 -9.061 32.494 2.653 1.00 22.23 ATOM 803 HD22 LEU 51 -9.022 33.207 1.042 1.00 43.42 ATOM 804 HD23 LEU 51 -9.051 34.249 2.466 1.00 54.30 ATOM 805 C LEU 51 -4.814 33.099 0.114 1.00 10.05 ATOM 806 O LEU 51 -4.629 32.022 0.684 1.00 52.51 ATOM 807 N LEU 52 -4.771 33.235 -1.206 1.00 74.23 ATOM 808 HN LEU 52 -4.948 34.112 -1.616 1.00 36.04 ATOM 809 CA LEU 52 -4.499 32.102 -2.083 1.00 63.55 ATOM 810 HA LEU 52 -5.146 31.301 -1.792 1.00 73.43 ATOM 811 CB LEU 52 -4.783 32.478 -3.539 1.00 31.33 ATOM 812 HB1 LEU 52 -4.420 31.687 -4.171 1.00 36.04 ATOM 813 HB2 LEU 52 -4.218 33.374 -3.761 1.00 30.11 ATOM 814 CG LEU 52 -6.249 32.735 -3.891 1.00 64.24 ATOM 815 HG LEU 52 -6.643 33.495 -3.232 1.00 21.43 ATOM 816 CD1 LEU 52 -6.373 33.243 -5.319 1.00 63.35 ATOM 817 HD11 LEU 52 -7.407 33.478 -5.529 1.00 73.23 ATOM 818 HD12 LEU 52 -6.033 32.491 -6.009 1.00 50.33 ATOM 819 HD13 LEU 52 -5.776 34.137 -5.440 1.00 41.10 ATOM 820 CD2 LEU 52 -7.073 31.470 -3.699 1.00 51.34 ATOM 821 HD21 LEU 52 -6.670 30.675 -4.311 1.00 72.34 ATOM 822 HD22 LEU 52 -8.099 31.658 -3.987 1.00 24.42 ATOM 823 HD23 LEU 52 -7.049 31.173 -2.662 1.00 74.35 ATOM 824 C LEU 52 -3.053 31.637 -1.940 1.00 30.04 ATOM 825 O LEU 52 -2.778 30.439 -1.889 1.00 61.41 ATOM 826 N ALA 53 -2.133 32.594 -1.872 1.00 54.02 ATOM 827 HN ALA 53 -2.409 33.540 -1.916 1.00 36.04 ATOM 828 CA ALA 53 -0.716 32.283 -1.730 1.00 14.24 ATOM 829 HA ALA 53 -0.503 31.369 -2.275 1.00 34.11 ATOM 830 CB ALA 53 0.131 33.390 -2.339 1.00 53.41 ATOM 831 HB1 ALA 53 -0.145 33.523 -3.375 1.00 33.20 ATOM 832 HB2 ALA 53 1.177 33.123 -2.279 1.00 64.10 ATOM 833 HB3 ALA 53 -0.037 34.314 -1.803 1.00 34.35 ATOM 834 C ALA 53 -0.345 32.075 -0.265 1.00 43.34 ATOM 835 O ALA 53 0.619 31.375 0.047 1.00 54.12 ATOM 836 N ARG 54 -1.114 32.688 0.628 1.00 2.24 ATOM 837 HN ARG 54 -1.859 33.253 0.323 1.00 36.04 ATOM 838 CA ARG 54 -0.864 32.571 2.060 1.00 45.51 ATOM 839 HA ARG 54 0.141 32.926 2.251 1.00 43.25 ATOM 840 CB ARG 54 -1.866 33.418 2.845 1.00 15.44 ATOM 841 HB1 ARG 54 -2.236 32.842 3.687 1.00 36.04 ATOM 842 HB2 ARG 54 -2.699 33.663 2.216 1.00 62.40 ATOM 843 CG ARG 54 -1.281 34.714 3.383 1.00 25.31 ATOM 844 HG1 ARG 54 -1.327 35.462 2.604 1.00 36.04 ATOM 845 HG2 ARG 54 -0.247 34.557 3.666 1.00 12.42 ATOM 846 CD ARG 54 -2.056 35.217 4.590 1.00 14.40 ATOM 847 HD1 ARG 54 -3.017 34.720 4.652 1.00 36.04 ATOM 848 HD2 ARG 54 -2.217 36.276 4.448 1.00 34.41 ATOM 849 NE ARG 54 -1.328 35.004 5.837 1.00 24.44 ATOM 850 HE ARG 54 -0.617 34.321 5.844 1.00 51.35 ATOM 851 CZ ARG 54 -1.576 35.673 6.958 1.00 73.42 ATOM 852 NH1 ARG 54 -2.531 36.593 6.987 1.00 64.44 ATOM 853 HH11 ARG 54 -3.082 36.802 6.184 1.00 11.24 ATOM 854 HH12 ARG 54 -2.707 37.094 7.837 1.00 43.01 ATOM 855 NH2 ARG 54 -0.870 35.421 8.053 1.00 50.33 ATOM 856 HH21 ARG 54 -0.148 34.726 8.038 1.00 50.32 ATOM 857 HH22 ARG 54 -1.055 35.925 8.899 1.00 2.21 ATOM 858 C ARG 54 -0.948 31.116 2.510 1.00 74.13 ATOM 859 O ARG 54 -0.192 30.678 3.377 1.00 12.54 ATOM 860 N TYR 55 -1.873 30.371 1.915 1.00 54.35 ATOM 861 HN TYR 55 -2.458 30.765 1.228 1.00 36.04 ATOM 862 CA TYR 55 -2.059 28.966 2.256 1.00 73.03 ATOM 863 HA TYR 55 -1.483 28.753 3.149 1.00 40.13 ATOM 864 CB TYR 55 -3.534 28.681 2.547 1.00 63.12 ATOM 865 HB1 TYR 55 -3.719 27.615 2.517 1.00 36.04 ATOM 866 HB2 TYR 55 -4.135 29.152 1.780 1.00 31.11 ATOM 867 CG TYR 55 -3.999 29.206 3.886 1.00 11.11 ATOM 868 CD1 TYR 55 -4.181 28.350 4.965 1.00 22.41 ATOM 869 HD1 TYR 55 -3.975 27.298 4.845 1.00 62.22 ATOM 870 CD2 TYR 55 -4.258 30.558 4.072 1.00 11.34 ATOM 871 HD2 TYR 55 -4.123 31.241 3.245 1.00 0.51 ATOM 872 CE1 TYR 55 -4.606 28.825 6.190 1.00 35.35 ATOM 873 HE1 TYR 55 -4.741 28.143 7.016 1.00 61.54 ATOM 874 CE2 TYR 55 -4.683 31.042 5.295 1.00 44.55 ATOM 875 HE2 TYR 55 -4.879 32.097 5.419 1.00 52.22 ATOM 876 CZ TYR 55 -4.856 30.172 6.350 1.00 24.13 ATOM 877 OH TYR 55 -5.280 30.650 7.569 1.00 42.11 ATOM 878 HH TYR 55 -4.549 30.645 8.194 1.00 2.33 ATOM 879 C TYR 55 -1.568 28.062 1.129 1.00 3.12 ATOM 880 O TYR 55 -1.483 28.464 -0.032 1.00 31.34 ATOM 881 N PRO 56 -1.236 26.810 1.479 1.00 41.44 ATOM 882 CA PRO 56 -0.748 25.822 0.512 1.00 31.23 ATOM 883 HA PRO 56 0.095 26.198 -0.050 1.00 34.00 ATOM 884 CB PRO 56 -0.297 24.656 1.395 1.00 25.32 ATOM 885 HB1 PRO 56 0.756 24.764 1.609 1.00 36.04 ATOM 886 HB2 PRO 56 -0.464 23.703 0.908 1.00 23.30 ATOM 887 CG PRO 56 -1.104 24.788 2.640 1.00 10.31 ATOM 888 HG1 PRO 56 -0.563 24.367 3.475 1.00 36.04 ATOM 889 HG2 PRO 56 -2.054 24.289 2.517 1.00 11.21 ATOM 890 CD PRO 56 -1.312 26.264 2.844 1.00 61.53 ATOM 891 HD1 PRO 56 -0.528 26.671 3.466 1.00 36.04 ATOM 892 HD2 PRO 56 -2.272 26.435 3.291 1.00 54.21 ATOM 893 C PRO 56 -1.838 25.368 -0.453 1.00 42.11 ATOM 894 O PRO 56 -2.418 24.293 -0.291 1.00 5.55 ATOM 895 N LEU 57 -2.112 26.192 -1.458 1.00 41.41 ATOM 896 HN LEU 57 -1.611 27.036 -1.548 1.00 36.04 ATOM 897 CA LEU 57 -3.133 25.875 -2.451 1.00 44.40 ATOM 898 HA LEU 57 -3.689 25.013 -2.120 1.00 25.33 ATOM 899 CB LEU 57 -4.112 27.042 -2.595 1.00 62.30 ATOM 900 HB1 LEU 57 -4.914 26.735 -3.253 1.00 36.04 ATOM 901 HB2 LEU 57 -3.584 27.867 -3.047 1.00 51.44 ATOM 902 CG LEU 57 -4.726 27.566 -1.297 1.00 14.31 ATOM 903 HG LEU 57 -3.945 27.994 -0.685 1.00 5.21 ATOM 904 CD1 LEU 57 -5.744 28.658 -1.591 1.00 21.31 ATOM 905 HD11 LEU 57 -6.597 28.230 -2.091 1.00 14.24 ATOM 906 HD12 LEU 57 -5.298 29.399 -2.233 1.00 74.13 ATOM 907 HD13 LEU 57 -6.057 29.122 -0.675 1.00 24.41 ATOM 908 CD2 LEU 57 -5.370 26.431 -0.515 1.00 34.13 ATOM 909 HD21 LEU 57 -5.839 26.825 0.377 1.00 61.35 ATOM 910 HD22 LEU 57 -4.618 25.712 -0.226 1.00 34.35 ATOM 911 HD23 LEU 57 -6.118 25.945 -1.126 1.00 31.04 ATOM 912 C LEU 57 -2.499 25.559 -3.802 1.00 5.12 ATOM 913 O LEU 57 -1.595 26.262 -4.256 1.00 71.03 ATOM 914 N THR 58 -2.979 24.497 -4.441 1.00 51.23 ATOM 915 HN THR 58 -3.684 23.955 -4.023 1.00 36.04 ATOM 916 CA THR 58 -2.461 24.088 -5.741 1.00 4.15 ATOM 917 HA THR 58 -1.466 24.503 -5.875 1.00 34.52 ATOM 918 CB THR 58 -2.360 22.555 -5.848 1.00 31.22 ATOM 919 HB THR 58 -2.331 22.261 -6.891 1.00 71.05 ATOM 920 OG1 THR 58 -3.499 21.945 -5.230 1.00 70.24 ATOM 921 HG1 THR 58 -3.644 21.073 -5.607 1.00 34.44 ATOM 922 CG2 THR 58 -1.087 22.048 -5.187 1.00 42.50 ATOM 923 HG21 THR 58 -1.087 22.322 -4.141 1.00 62.44 ATOM 924 HG22 THR 58 -0.227 22.485 -5.674 1.00 4.40 ATOM 925 HG23 THR 58 -1.041 20.973 -5.276 1.00 34.31 ATOM 926 C THR 58 -3.340 24.609 -6.872 1.00 25.30 ATOM 927 O THR 58 -4.410 25.166 -6.632 1.00 1.12 ATOM 928 N GLU 59 -2.880 24.422 -8.106 1.00 14.54 ATOM 929 HN GLU 59 -2.010 23.973 -8.235 1.00 36.04 ATOM 930 CA GLU 59 -3.627 24.874 -9.274 1.00 44.30 ATOM 931 HA GLU 59 -3.689 25.954 -9.232 1.00 34.00 ATOM 932 CB GLU 59 -2.909 24.454 -10.559 1.00 13.13 ATOM 933 HB1 GLU 59 -3.649 24.309 -11.339 1.00 36.04 ATOM 934 HB2 GLU 59 -2.397 23.516 -10.390 1.00 33.12 ATOM 935 CG GLU 59 -1.889 25.469 -11.046 1.00 21.00 ATOM 936 HG1 GLU 59 -0.966 25.319 -10.505 1.00 36.04 ATOM 937 HG2 GLU 59 -2.258 26.469 -10.857 1.00 22.33 ATOM 938 CD GLU 59 -1.604 25.343 -12.530 1.00 3.11 ATOM 939 OE1 GLU 59 -2.210 24.464 -13.177 1.00 71.14 ATOM 940 OE2 GLU 59 -0.775 26.123 -13.044 1.00 23.24 ATOM 941 C GLU 59 -5.046 24.313 -9.264 1.00 4.11 ATOM 942 O GLU 59 -5.966 24.913 -9.820 1.00 23.22 ATOM 943 N SER 60 -5.214 23.158 -8.628 1.00 53.11 ATOM 944 HN SER 60 -4.443 22.692 -8.236 1.00 36.04 ATOM 945 CA SER 60 -6.519 22.513 -8.549 1.00 35.33 ATOM 946 HA SER 60 -7.034 22.658 -9.491 1.00 54.12 ATOM 947 CB SER 60 -6.355 21.010 -8.312 1.00 15.21 ATOM 948 HB1 SER 60 -5.526 20.638 -8.898 1.00 36.04 ATOM 949 HB2 SER 60 -7.260 20.502 -8.609 1.00 0.32 ATOM 950 OG SER 60 -6.109 20.733 -6.944 1.00 42.42 ATOM 951 HG SER 60 -5.879 19.807 -6.841 1.00 43.43 ATOM 952 C SER 60 -7.362 23.126 -7.434 1.00 63.21 ATOM 953 O SER 60 -8.584 23.218 -7.545 1.00 21.40 ATOM 954 N GLN 61 -6.698 23.543 -6.361 1.00 10.41 ATOM 955 HN GLN 61 -5.723 23.429 -6.315 1.00 36.04 ATOM 956 CA GLN 61 -7.385 24.147 -5.225 1.00 52.04 ATOM 957 HA GLN 61 -8.292 23.589 -5.033 1.00 15.24 ATOM 958 CB GLN 61 -6.502 24.088 -3.978 1.00 33.44 ATOM 959 HB1 GLN 61 -6.989 24.634 -3.178 1.00 36.04 ATOM 960 HB2 GLN 61 -5.563 24.560 -4.199 1.00 20.34 ATOM 961 CG GLN 61 -6.236 22.673 -3.488 1.00 3.52 ATOM 962 HG1 GLN 61 -5.664 22.148 -4.234 1.00 36.04 ATOM 963 HG2 GLN 61 -7.182 22.172 -3.349 1.00 21.02 ATOM 964 CD GLN 61 -5.475 22.644 -2.177 1.00 31.42 ATOM 965 OE1 GLN 61 -4.250 22.767 -2.153 1.00 71.05 ATOM 966 NE2 GLN 61 -6.199 22.479 -1.076 1.00 1.53 ATOM 967 HE21 GLN 61 -7.175 22.385 -1.153 1.00 35.44 ATOM 968 HE22 GLN 61 -5.725 22.457 -0.218 1.00 32.42 ATOM 969 C GLN 61 -7.765 25.593 -5.525 1.00 54.22 ATOM 970 O GLN 61 -8.925 25.984 -5.383 1.00 21.24 ATOM 971 N LEU 62 -6.782 26.384 -5.941 1.00 13.12 ATOM 972 HN LEU 62 -5.876 26.012 -6.037 1.00 36.04 ATOM 973 CA LEU 62 -7.014 27.788 -6.261 1.00 5.51 ATOM 974 HA LEU 62 -7.268 28.301 -5.343 1.00 73.23 ATOM 975 CB LEU 62 -5.749 28.412 -6.854 1.00 63.30 ATOM 976 HB1 LEU 62 -6.049 29.277 -7.438 1.00 36.04 ATOM 977 HB2 LEU 62 -5.309 27.696 -7.539 1.00 33.44 ATOM 978 CG LEU 62 -4.689 28.864 -5.849 1.00 64.12 ATOM 979 HG LEU 62 -5.150 29.036 -4.884 1.00 1.33 ATOM 980 CD1 LEU 62 -3.629 27.788 -5.671 1.00 45.11 ATOM 981 HD11 LEU 62 -3.186 27.547 -6.628 1.00 14.04 ATOM 982 HD12 LEU 62 -4.090 26.919 -5.261 1.00 60.42 ATOM 983 HD13 LEU 62 -2.861 28.144 -5.001 1.00 41.15 ATOM 984 CD2 LEU 62 -4.053 30.172 -6.297 1.00 14.34 ATOM 985 HD21 LEU 62 -4.810 30.930 -6.381 1.00 12.50 ATOM 986 HD22 LEU 62 -3.577 30.035 -7.258 1.00 52.45 ATOM 987 HD23 LEU 62 -3.312 30.483 -5.574 1.00 71.10 ATOM 988 C LEU 62 -8.175 27.940 -7.238 1.00 11.22 ATOM 989 O LEU 62 -8.989 28.854 -7.112 1.00 54.30 ATOM 990 N ALA 63 -8.246 27.037 -8.210 1.00 20.32 ATOM 991 HN ALA 63 -7.555 26.336 -8.274 1.00 36.04 ATOM 992 CA ALA 63 -9.310 27.068 -9.205 1.00 72.44 ATOM 993 HA ALA 63 -9.223 27.991 -9.763 1.00 0.32 ATOM 994 CB ALA 63 -9.153 25.911 -10.182 1.00 11.41 ATOM 995 HB1 ALA 63 -8.177 25.961 -10.641 1.00 25.10 ATOM 996 HB2 ALA 63 -9.912 25.976 -10.949 1.00 62.40 ATOM 997 HB3 ALA 63 -9.253 24.973 -9.654 1.00 1.33 ATOM 998 C ALA 63 -10.683 27.020 -8.543 1.00 40.42 ATOM 999 O ALA 63 -11.652 27.579 -9.059 1.00 71.12 ATOM 1000 N LEU 64 -10.760 26.351 -7.399 1.00 23.53 ATOM 1001 HN LEU 64 -9.967 25.899 -7.042 1.00 36.04 ATOM 1002 CA LEU 64 -12.015 26.230 -6.666 1.00 32.25 ATOM 1003 HA LEU 64 -12.829 26.167 -7.379 1.00 30.45 ATOM 1004 CB LEU 64 -12.014 24.956 -5.819 1.00 24.21 ATOM 1005 HB1 LEU 64 -11.122 24.980 -5.212 1.00 36.04 ATOM 1006 HB2 LEU 64 -11.927 24.113 -6.494 1.00 74.22 ATOM 1007 CG LEU 64 -13.228 24.751 -4.912 1.00 61.25 ATOM 1008 HG LEU 64 -13.740 25.685 -4.745 1.00 52.14 ATOM 1009 CD1 LEU 64 -14.228 23.809 -5.565 1.00 11.12 ATOM 1010 HD11 LEU 64 -13.976 22.777 -5.356 1.00 12.35 ATOM 1011 HD12 LEU 64 -14.236 23.961 -6.638 1.00 63.43 ATOM 1012 HD13 LEU 64 -15.202 24.027 -5.183 1.00 22.03 ATOM 1013 CD2 LEU 64 -12.796 24.216 -3.555 1.00 21.21 ATOM 1014 HD21 LEU 64 -12.747 23.149 -3.574 1.00 43.02 ATOM 1015 HD22 LEU 64 -13.525 24.515 -2.817 1.00 23.43 ATOM 1016 HD23 LEU 64 -11.831 24.618 -3.272 1.00 23.21 ATOM 1017 C LEU 64 -12.244 27.446 -5.774 1.00 54.11 ATOM 1018 O LEU 64 -13.326 28.035 -5.775 1.00 23.42 ATOM 1019 N VAL 65 -11.218 27.819 -5.016 1.00 14.33 ATOM 1020 HN VAL 65 -10.377 27.314 -5.077 1.00 36.04 ATOM 1021 CA VAL 65 -11.306 28.968 -4.122 1.00 35.22 ATOM 1022 HA VAL 65 -12.016 28.733 -3.350 1.00 64.40 ATOM 1023 CB VAL 65 -9.949 29.268 -3.458 1.00 35.53 ATOM 1024 HB VAL 65 -9.248 29.576 -4.224 1.00 40.50 ATOM 1025 CG1 VAL 65 -10.085 30.403 -2.455 1.00 22.14 ATOM 1026 HG11 VAL 65 -10.793 30.132 -1.691 1.00 14.41 ATOM 1027 HG12 VAL 65 -10.414 31.284 -2.959 1.00 10.00 ATOM 1028 HG13 VAL 65 -9.125 30.597 -1.997 1.00 43.43 ATOM 1029 CG2 VAL 65 -9.396 28.018 -2.790 1.00 32.14 ATOM 1030 HG21 VAL 65 -10.188 27.483 -2.282 1.00 65.51 ATOM 1031 HG22 VAL 65 -8.642 28.289 -2.071 1.00 15.14 ATOM 1032 HG23 VAL 65 -8.953 27.381 -3.529 1.00 34.02 ATOM 1033 C VAL 65 -11.780 30.210 -4.868 1.00 50.02 ATOM 1034 O VAL 65 -12.426 31.085 -4.291 1.00 71.20 ATOM 1035 N ARG 66 -11.455 30.280 -6.155 1.00 2.42 ATOM 1036 HN ARG 66 -10.901 29.576 -6.562 1.00 36.04 ATOM 1037 CA ARG 66 -11.846 31.416 -6.981 1.00 13.22 ATOM 1038 HA ARG 66 -11.633 32.328 -6.433 1.00 61.53 ATOM 1039 CB ARG 66 -11.050 31.423 -8.287 1.00 3.03 ATOM 1040 HB1 ARG 66 -11.552 32.063 -9.006 1.00 36.04 ATOM 1041 HB2 ARG 66 -11.013 30.418 -8.682 1.00 33.35 ATOM 1042 CG ARG 66 -9.624 31.924 -8.128 1.00 4.43 ATOM 1043 HG1 ARG 66 -9.065 31.220 -7.536 1.00 36.04 ATOM 1044 HG2 ARG 66 -9.641 32.882 -7.628 1.00 3.45 ATOM 1045 CD ARG 66 -8.939 32.093 -9.475 1.00 0.31 ATOM 1046 HD1 ARG 66 -9.090 31.194 -10.061 1.00 36.04 ATOM 1047 HD2 ARG 66 -7.881 32.235 -9.306 1.00 54.33 ATOM 1048 NE ARG 66 -9.456 33.244 -10.211 1.00 71.44 ATOM 1049 HE ARG 66 -10.051 33.868 -9.734 1.00 62.14 ATOM 1050 CZ ARG 66 -9.164 33.494 -11.483 1.00 30.12 ATOM 1051 NH1 ARG 66 -8.363 32.679 -12.155 1.00 73.14 ATOM 1052 HH11 ARG 66 -7.964 31.870 -11.728 1.00 44.41 ATOM 1053 HH12 ARG 66 -8.151 32.875 -13.115 1.00 41.01 ATOM 1054 NH2 ARG 66 -9.674 34.561 -12.084 1.00 42.32 ATOM 1055 HH21 ARG 66 -10.280 35.181 -11.581 1.00 70.24 ATOM 1056 HH22 ARG 66 -9.455 34.752 -13.043 1.00 34.12 ATOM 1057 C ARG 66 -13.341 31.378 -7.285 1.00 32.24 ATOM 1058 O ARG 66 -14.019 32.405 -7.248 1.00 22.03 ATOM 1059 N ASP 67 -13.848 30.187 -7.585 1.00 10.21 ATOM 1060 HN ASP 67 -13.256 29.398 -7.608 1.00 36.04 ATOM 1061 CA ASP 67 -15.263 30.014 -7.895 1.00 4.43 ATOM 1062 HA ASP 67 -15.518 30.725 -8.672 1.00 50.44 ATOM 1063 CB ASP 67 -15.526 28.595 -8.400 1.00 52.35 ATOM 1064 HB1 ASP 67 -15.607 27.912 -7.563 1.00 36.04 ATOM 1065 HB2 ASP 67 -14.700 28.285 -9.025 1.00 74.34 ATOM 1066 CG ASP 67 -16.794 28.501 -9.226 1.00 15.03 ATOM 1067 OD1 ASP 67 -17.047 29.420 -10.033 1.00 14.34 ATOM 1068 OD2 ASP 67 -17.534 27.508 -9.065 1.00 63.32 ATOM 1069 C ASP 67 -16.126 30.300 -6.670 1.00 21.32 ATOM 1070 O ASP 67 -17.167 30.950 -6.770 1.00 22.11 ATOM 1071 N ILE 68 -15.687 29.809 -5.516 1.00 32.43 ATOM 1072 HN ILE 68 -14.837 29.315 -5.500 1.00 36.04 ATOM 1073 CA ILE 68 -16.420 30.011 -4.272 1.00 41.01 ATOM 1074 HA ILE 68 -17.350 29.462 -4.340 1.00 12.35 ATOM 1075 CB ILE 68 -15.629 29.484 -3.060 1.00 42.03 ATOM 1076 HB ILE 68 -14.698 30.034 -3.000 1.00 13.22 ATOM 1077 CG1 ILE 68 -15.325 27.994 -3.231 1.00 11.12 ATOM 1078 HG11 ILE 68 -15.049 27.775 -4.244 1.00 36.04 ATOM 1079 HG12 ILE 68 -16.207 27.416 -2.987 1.00 34.52 ATOM 1080 CG2 ILE 68 -16.404 29.728 -1.775 1.00 14.45 ATOM 1081 HG21 ILE 68 -17.426 29.389 -1.889 1.00 50.31 ATOM 1082 HG22 ILE 68 -16.398 30.781 -1.536 1.00 45.54 ATOM 1083 HG23 ILE 68 -15.941 29.185 -0.963 1.00 73.50 ATOM 1084 CD1 ILE 68 -14.204 27.501 -2.344 1.00 23.34 ATOM 1085 HD11 ILE 68 -13.590 28.326 -2.015 1.00 63.03 ATOM 1086 HD12 ILE 68 -13.593 26.802 -2.893 1.00 54.24 ATOM 1087 HD13 ILE 68 -14.625 27.004 -1.482 1.00 52.02 ATOM 1088 C ILE 68 -16.737 31.487 -4.055 1.00 34.30 ATOM 1089 O ILE 68 -17.804 31.835 -3.548 1.00 22.53 ATOM 1090 N ARG 69 -15.805 32.350 -4.444 1.00 51.30 ATOM 1091 HN ARG 69 -14.964 32.018 -4.838 1.00 36.04 ATOM 1092 CA ARG 69 -15.986 33.789 -4.293 1.00 4.03 ATOM 1093 HA ARG 69 -16.437 33.973 -3.331 1.00 14.12 ATOM 1094 CB ARG 69 -14.634 34.503 -4.347 1.00 25.43 ATOM 1095 HB1 ARG 69 -14.243 34.429 -5.355 1.00 36.04 ATOM 1096 HB2 ARG 69 -13.951 34.017 -3.685 1.00 21.24 ATOM 1097 CG ARG 69 -14.705 35.973 -3.969 1.00 14.03 ATOM 1098 HG1 ARG 69 -14.942 36.053 -2.918 1.00 36.04 ATOM 1099 HG2 ARG 69 -15.479 36.451 -4.551 1.00 1.33 ATOM 1100 CD ARG 69 -13.386 36.681 -4.232 1.00 44.11 ATOM 1101 HD1 ARG 69 -12.865 36.196 -5.044 1.00 36.04 ATOM 1102 HD2 ARG 69 -12.794 36.618 -3.335 1.00 4.35 ATOM 1103 NE ARG 69 -13.577 38.091 -4.561 1.00 70.13 ATOM 1104 HE ARG 69 -13.383 38.744 -3.857 1.00 72.22 ATOM 1105 CZ ARG 69 -13.983 38.519 -5.751 1.00 51.14 ATOM 1106 NH1 ARG 69 -14.240 37.651 -6.720 1.00 25.20 ATOM 1107 HH11 ARG 69 -14.140 36.669 -6.584 1.00 42.15 ATOM 1108 HH12 ARG 69 -14.544 37.986 -7.615 1.00 33.31 ATOM 1109 NH2 ARG 69 -14.134 39.818 -5.974 1.00 41.44 ATOM 1110 HH21 ARG 69 -13.939 40.481 -5.252 1.00 3.04 ATOM 1111 HH22 ARG 69 -14.445 40.141 -6.870 1.00 73.32 ATOM 1112 C ARG 69 -16.907 34.339 -5.378 1.00 64.41 ATOM 1113 O ARG 69 -17.627 35.313 -5.160 1.00 42.01 ATOM 1114 N ARG 70 -16.877 33.707 -6.547 1.00 53.32 ATOM 1115 HN ARG 70 -16.259 32.959 -6.679 1.00 36.04 ATOM 1116 CA ARG 70 -17.708 34.134 -7.667 1.00 22.01 ATOM 1117 HA ARG 70 -17.547 35.193 -7.825 1.00 61.32 ATOM 1118 CB ARG 70 -17.311 33.383 -8.939 1.00 45.43 ATOM 1119 HB1 ARG 70 -17.279 32.327 -8.729 1.00 36.04 ATOM 1120 HB2 ARG 70 -16.323 33.711 -9.234 1.00 33.30 ATOM 1121 CG ARG 70 -18.265 33.607 -10.101 1.00 64.22 ATOM 1122 HG1 ARG 70 -18.435 34.668 -10.221 1.00 36.04 ATOM 1123 HG2 ARG 70 -19.202 33.114 -9.887 1.00 54.20 ATOM 1124 CD ARG 70 -17.712 33.029 -11.395 1.00 32.43 ATOM 1125 HD1 ARG 70 -18.531 32.607 -11.960 1.00 36.04 ATOM 1126 HD2 ARG 70 -17.001 32.243 -11.172 1.00 25.40 ATOM 1127 NE ARG 70 -17.048 34.044 -12.208 1.00 73.43 ATOM 1128 HE ARG 70 -16.073 33.975 -12.308 1.00 53.51 ATOM 1129 CZ ARG 70 -17.690 35.039 -12.809 1.00 52.14 ATOM 1130 NH1 ARG 70 -19.006 35.153 -12.688 1.00 64.14 ATOM 1131 HH11 ARG 70 -19.545 34.506 -12.160 1.00 10.40 ATOM 1132 HH12 ARG 70 -19.476 35.913 -13.141 1.00 55.21 ATOM 1133 NH2 ARG 70 -17.016 35.924 -13.533 1.00 71.31 ATOM 1134 HH21 ARG 70 -16.022 35.844 -13.628 1.00 54.34 ATOM 1135 HH22 ARG 70 -17.498 36.676 -13.988 1.00 40.31 ATOM 1136 C ARG 70 -19.186 33.902 -7.367 1.00 62.30 ATOM 1137 O ARG 70 -20.006 34.811 -7.497 1.00 30.40 ATOM 1138 N ARG 71 -19.518 32.679 -6.966 1.00 22.01 ATOM 1139 HN ARG 71 -18.813 31.993 -6.873 1.00 36.04 ATOM 1140 CA ARG 71 -20.897 32.327 -6.649 1.00 63.24 ATOM 1141 HA ARG 71 -21.531 32.664 -7.461 1.00 22.43 ATOM 1142 CB ARG 71 -21.039 30.810 -6.511 1.00 73.04 ATOM 1143 HB1 ARG 71 -22.037 30.571 -6.160 1.00 36.04 ATOM 1144 HB2 ARG 71 -20.324 30.467 -5.776 1.00 14.23 ATOM 1145 CG ARG 71 -20.778 30.054 -7.804 1.00 32.44 ATOM 1146 HG1 ARG 71 -20.393 29.075 -7.558 1.00 36.04 ATOM 1147 HG2 ARG 71 -20.048 30.584 -8.402 1.00 74.04 ATOM 1148 CD ARG 71 -22.052 29.885 -8.617 1.00 63.34 ATOM 1149 HD1 ARG 71 -22.363 30.853 -8.983 1.00 36.04 ATOM 1150 HD2 ARG 71 -22.817 29.482 -7.965 1.00 60.44 ATOM 1151 NE ARG 71 -21.861 28.984 -9.751 1.00 52.44 ATOM 1152 HE ARG 71 -20.939 28.814 -10.055 1.00 41.35 ATOM 1153 CZ ARG 71 -22.861 28.390 -10.394 1.00 25.14 ATOM 1154 NH1 ARG 71 -24.114 28.600 -10.016 1.00 21.44 ATOM 1155 HH11 ARG 71 -24.338 29.202 -9.254 1.00 0.23 ATOM 1156 HH12 ARG 71 -24.860 28.144 -10.506 1.00 23.33 ATOM 1157 NH2 ARG 71 -22.607 27.584 -11.417 1.00 30.12 ATOM 1158 HH21 ARG 71 -21.662 27.421 -11.707 1.00 34.42 ATOM 1159 HH22 ARG 71 -23.359 27.135 -11.904 1.00 65.13 ATOM 1160 C ARG 71 -21.351 33.010 -5.363 1.00 2.31 ATOM 1161 O ARG 71 -22.540 33.253 -5.164 1.00 12.45 ATOM 1162 N GLY 72 -20.394 33.317 -4.492 1.00 41.42 ATOM 1163 HN GLY 72 -19.457 33.089 -4.676 1.00 36.04 ATOM 1164 CA GLY 72 -20.715 33.969 -3.236 1.00 34.00 ATOM 1165 HA1 GLY 72 -19.853 33.913 -2.595 1.00 36.04 ATOM 1166 HA2 GLY 72 -21.537 33.452 -2.757 1.00 32.34 ATOM 1167 C GLY 72 -21.089 35.427 -3.418 1.00 22.21 ATOM 1168 O GLY 72 -22.099 35.888 -2.886 1.00 42.10 ATOM 1169 N LYS 73 -20.272 36.156 -4.170 1.00 65.33 ATOM 1170 HN LYS 73 -19.478 35.727 -4.569 1.00 36.04 ATOM 1171 CA LYS 73 -20.520 37.570 -4.421 1.00 41.45 ATOM 1172 HA LYS 73 -20.555 38.073 -3.462 1.00 25.24 ATOM 1173 CB LYS 73 -19.393 38.164 -5.270 1.00 53.31 ATOM 1174 HB1 LYS 73 -19.733 38.295 -6.290 1.00 36.04 ATOM 1175 HB2 LYS 73 -18.553 37.488 -5.284 1.00 22.33 ATOM 1176 CG LYS 73 -18.903 39.513 -4.772 1.00 52.05 ATOM 1177 HG1 LYS 73 -19.757 40.110 -4.474 1.00 36.04 ATOM 1178 HG2 LYS 73 -18.396 40.017 -5.582 1.00 52.03 ATOM 1179 CD LYS 73 -17.976 39.363 -3.578 1.00 15.34 ATOM 1180 HD1 LYS 73 -18.159 38.420 -3.088 1.00 36.04 ATOM 1181 HD2 LYS 73 -18.180 40.167 -2.886 1.00 41.34 ATOM 1182 CE LYS 73 -16.515 39.426 -3.994 1.00 50.44 ATOM 1183 HE1 LYS 73 -16.425 39.898 -4.962 1.00 36.04 ATOM 1184 HE2 LYS 73 -16.135 38.422 -4.051 1.00 3.41 ATOM 1185 NZ LYS 73 -15.692 40.192 -3.018 1.00 13.43 ATOM 1186 HZ1 LYS 73 -15.709 39.724 -2.088 1.00 22.32 ATOM 1187 HZ2 LYS 73 -16.063 41.159 -2.912 1.00 52.41 ATOM 1188 HZ3 LYS 73 -14.712 40.252 -3.341 1.00 54.43 ATOM 1189 C LYS 73 -21.859 37.772 -5.123 1.00 73.50 ATOM 1190 O LYS 73 -22.477 38.829 -5.009 1.00 35.11 ATOM 1191 N ASN 74 -22.302 36.749 -5.848 1.00 11.05 ATOM 1192 HN ASN 74 -21.748 35.943 -5.952 1.00 36.04 ATOM 1193 CA ASN 74 -23.569 36.814 -6.567 1.00 32.13 ATOM 1194 HA ASN 74 -23.467 37.546 -7.355 1.00 71.03 ATOM 1195 CB ASN 74 -23.896 35.455 -7.189 1.00 35.00 ATOM 1196 HB1 ASN 74 -23.974 34.718 -6.405 1.00 36.04 ATOM 1197 HB2 ASN 74 -23.095 35.175 -7.859 1.00 63.24 ATOM 1198 CG ASN 74 -25.191 35.477 -7.979 1.00 3.50 ATOM 1199 OD1 ASN 74 -25.328 36.228 -8.945 1.00 14.21 ATOM 1200 ND2 ASN 74 -26.148 34.652 -7.570 1.00 45.24 ATOM 1201 HD21 ASN 74 -25.985 34.073 -6.791 1.00 65.10 ATOM 1202 HD22 ASN 74 -26.992 34.653 -8.069 1.00 73.25 ATOM 1203 C ASN 74 -24.700 37.246 -5.638 1.00 51.34 ATOM 1204 O ASN 74 -25.574 38.023 -6.025 1.00 64.02 ATOM 1205 N LYS 75 -24.677 36.738 -4.411 1.00 12.42 ATOM 1206 HN LYS 75 -23.964 36.104 -4.160 1.00 36.04 ATOM 1207 CA LYS 75 -25.698 37.072 -3.425 1.00 14.30 ATOM 1208 HA LYS 75 -26.633 36.691 -3.798 1.00 75.52 ATOM 1209 CB LYS 75 -25.369 36.423 -2.079 1.00 4.21 ATOM 1210 HB1 LYS 75 -24.564 36.968 -1.603 1.00 36.04 ATOM 1211 HB2 LYS 75 -25.039 35.407 -2.254 1.00 54.11 ATOM 1212 CG LYS 75 -26.546 36.379 -1.120 1.00 71.35 ATOM 1213 HG1 LYS 75 -26.896 37.387 -0.947 1.00 36.04 ATOM 1214 HG2 LYS 75 -26.209 35.948 -0.190 1.00 21.41 ATOM 1215 CD LYS 75 -27.688 35.545 -1.678 1.00 42.42 ATOM 1216 HD1 LYS 75 -27.317 34.567 -1.955 1.00 36.04 ATOM 1217 HD2 LYS 75 -28.098 36.037 -2.545 1.00 52.41 ATOM 1218 CE LYS 75 -28.802 35.372 -0.657 1.00 24.40 ATOM 1219 HE1 LYS 75 -29.618 34.840 -1.124 1.00 36.04 ATOM 1220 HE2 LYS 75 -29.146 36.346 -0.339 1.00 5.15 ATOM 1221 NZ LYS 75 -28.346 34.604 0.535 1.00 74.31 ATOM 1222 HZ1 LYS 75 -27.879 33.718 0.246 1.00 74.33 ATOM 1223 HZ2 LYS 75 -29.163 34.366 1.133 1.00 33.30 ATOM 1224 HZ3 LYS 75 -27.681 35.170 1.097 1.00 51.04 ATOM 1225 C LYS 75 -25.819 38.584 -3.257 1.00 24.43 ATOM 1226 O LYS 75 -26.892 39.100 -2.944 1.00 45.11 ATOM 1227 N VAL 76 -24.711 39.288 -3.467 1.00 52.03 ATOM 1228 HN VAL 76 -23.869 38.833 -3.671 1.00 36.04 ATOM 1229 CA VAL 76 -24.693 40.740 -3.341 1.00 55.55 ATOM 1230 HA VAL 76 -25.503 41.046 -2.686 1.00 53.05 ATOM 1231 CB VAL 76 -23.373 41.234 -2.720 1.00 73.11 ATOM 1232 HB VAL 76 -22.565 41.026 -3.410 1.00 73.11 ATOM 1233 CG1 VAL 76 -23.422 42.736 -2.486 1.00 2.10 ATOM 1234 HG11 VAL 76 -22.517 43.055 -1.985 1.00 43.35 ATOM 1235 HG12 VAL 76 -24.275 42.982 -1.869 1.00 32.50 ATOM 1236 HG13 VAL 76 -23.500 43.254 -3.430 1.00 72.34 ATOM 1237 CG2 VAL 76 -23.086 40.493 -1.423 1.00 62.10 ATOM 1238 HG21 VAL 76 -22.980 39.436 -1.622 1.00 74.43 ATOM 1239 HG22 VAL 76 -23.898 40.648 -0.727 1.00 54.31 ATOM 1240 HG23 VAL 76 -22.168 40.865 -0.988 1.00 62.33 ATOM 1241 C VAL 76 -24.887 41.412 -4.696 1.00 62.15 ATOM 1242 O VAL 76 -25.684 42.340 -4.833 1.00 22.52 ATOM 1243 N ALA 77 -24.152 40.936 -5.697 1.00 12.24 ATOM 1244 HN ALA 77 -23.521 40.199 -5.526 1.00 36.04 ATOM 1245 CA ALA 77 -24.245 41.489 -7.042 1.00 65.43 ATOM 1246 HA ALA 77 -23.894 42.511 -7.010 1.00 54.44 ATOM 1247 CB ALA 77 -23.346 40.713 -7.994 1.00 72.31 ATOM 1248 HB1 ALA 77 -22.332 40.733 -7.623 1.00 14.51 ATOM 1249 HB2 ALA 77 -23.377 41.166 -8.975 1.00 4.44 ATOM 1250 HB3 ALA 77 -23.683 39.688 -8.059 1.00 61.45 ATOM 1251 C ALA 77 -25.685 41.477 -7.543 1.00 62.51 ATOM 1252 O ALA 77 -26.069 42.297 -8.376 1.00 33.03 ATOM 1253 N ALA 78 -26.477 40.540 -7.031 1.00 3.34 ATOM 1254 HN ALA 78 -26.109 39.865 -6.418 1.00 36.04 ATOM 1255 CA ALA 78 -27.875 40.423 -7.425 1.00 60.41 ATOM 1256 HA ALA 78 -27.906 40.111 -8.459 1.00 62.53 ATOM 1257 CB ALA 78 -28.571 39.358 -6.590 1.00 52.21 ATOM 1258 HB1 ALA 78 -28.569 39.652 -5.550 1.00 72.03 ATOM 1259 HB2 ALA 78 -28.046 38.420 -6.697 1.00 23.32 ATOM 1260 HB3 ALA 78 -29.590 39.238 -6.929 1.00 44.44 ATOM 1261 C ALA 78 -28.597 41.759 -7.291 1.00 74.15 ATOM 1262 O ALA 78 -29.534 42.045 -8.037 1.00 43.11 ATOM 1263 N GLN 79 -28.157 42.572 -6.337 1.00 24.21 ATOM 1264 HN GLN 79 -27.428 42.287 -5.741 1.00 36.04 ATOM 1265 CA GLN 79 -28.763 43.877 -6.106 1.00 13.44 ATOM 1266 HA GLN 79 -29.802 43.841 -6.411 1.00 1.42 ATOM 1267 CB GLN 79 -28.713 44.230 -4.618 1.00 53.20 ATOM 1268 HB1 GLN 79 -29.261 45.152 -4.465 1.00 36.04 ATOM 1269 HB2 GLN 79 -27.682 44.379 -4.323 1.00 64.45 ATOM 1270 CG GLN 79 -29.307 43.158 -3.718 1.00 52.43 ATOM 1271 HG1 GLN 79 -28.610 42.335 -3.654 1.00 36.04 ATOM 1272 HG2 GLN 79 -30.237 42.808 -4.147 1.00 32.43 ATOM 1273 CD GLN 79 -29.588 43.663 -2.317 1.00 32.04 ATOM 1274 OE1 GLN 79 -28.849 43.366 -1.378 1.00 32.24 ATOM 1275 NE2 GLN 79 -30.661 44.431 -2.168 1.00 1.33 ATOM 1276 HE21 GLN 79 -31.217 44.636 -2.954 1.00 13.44 ATOM 1277 HE22 GLN 79 -30.859 44.767 -1.269 1.00 23.53 ATOM 1278 C GLN 79 -28.059 44.957 -6.920 1.00 43.13 ATOM 1279 O GLN 79 -28.653 45.980 -7.258 1.00 62.24 ATOM 1280 N ASN 80 -26.788 44.722 -7.232 1.00 32.21 ATOM 1281 HN ASN 80 -26.343 43.917 -6.909 1.00 36.04 ATOM 1282 CA ASN 80 -26.002 45.675 -8.006 1.00 51.25 ATOM 1283 HA ASN 80 -26.599 46.556 -8.208 1.00 43.13 ATOM 1284 CB ASN 80 -24.764 46.106 -7.218 1.00 43.41 ATOM 1285 HB1 ASN 80 -24.328 46.972 -7.695 1.00 36.04 ATOM 1286 HB2 ASN 80 -24.040 45.300 -7.217 1.00 31.02 ATOM 1287 CG ASN 80 -25.089 46.466 -5.781 1.00 52.13 ATOM 1288 OD1 ASN 80 -26.105 47.105 -5.504 1.00 64.14 ATOM 1289 ND2 ASN 80 -24.226 46.056 -4.859 1.00 12.41 ATOM 1290 HD21 ASN 80 -23.430 45.548 -5.137 1.00 3.13 ATOM 1291 HD22 ASN 80 -24.419 46.279 -3.924 1.00 25.30 ATOM 1292 C ASN 80 -25.583 45.074 -9.345 1.00 10.52 ATOM 1293 O ASN 80 -24.405 45.091 -9.703 1.00 31.21 ATOM 1294 N TYR 81 -26.555 44.546 -10.080 1.00 20.43 ATOM 1295 HN TYR 81 -27.485 44.575 -9.751 1.00 36.04 ATOM 1296 CA TYR 81 -26.287 43.938 -11.378 1.00 33.13 ATOM 1297 HA TYR 81 -25.228 43.704 -11.441 1.00 32.42 ATOM 1298 CB TYR 81 -27.086 42.643 -11.533 1.00 35.24 ATOM 1299 HB1 TYR 81 -28.071 42.862 -11.932 1.00 36.04 ATOM 1300 HB2 TYR 81 -27.210 42.188 -10.558 1.00 23.53 ATOM 1301 CG TYR 81 -26.422 41.625 -12.432 1.00 51.22 ATOM 1302 CD1 TYR 81 -25.442 40.771 -11.942 1.00 33.50 ATOM 1303 HD1 TYR 81 -25.155 40.838 -10.902 1.00 62.33 ATOM 1304 CD2 TYR 81 -26.773 41.519 -13.772 1.00 52.02 ATOM 1305 HD2 TYR 81 -27.533 42.172 -14.171 1.00 32.31 ATOM 1306 CE1 TYR 81 -24.832 39.840 -12.760 1.00 70.43 ATOM 1307 HE1 TYR 81 -24.072 39.185 -12.360 1.00 65.40 ATOM 1308 CE2 TYR 81 -26.169 40.590 -14.597 1.00 54.24 ATOM 1309 HE2 TYR 81 -26.457 40.523 -15.636 1.00 74.44 ATOM 1310 CZ TYR 81 -25.199 39.753 -14.087 1.00 13.01 ATOM 1311 OH TYR 81 -24.594 38.827 -14.906 1.00 54.40 ATOM 1312 HH TYR 81 -24.912 37.944 -14.693 1.00 4.33 ATOM 1313 C TYR 81 -26.632 44.900 -12.511 1.00 24.41 ATOM 1314 O TYR 81 -27.372 45.864 -12.318 1.00 5.51 ATOM 1315 N ARG 82 -26.089 44.628 -13.694 1.00 15.44 ATOM 1316 HN ARG 82 -25.486 43.854 -13.783 1.00 36.04 ATOM 1317 CA ARG 82 -26.338 45.469 -14.859 1.00 22.23 ATOM 1318 HA ARG 82 -26.252 46.506 -14.551 1.00 25.43 ATOM 1319 CB ARG 82 -25.292 45.198 -15.942 1.00 2.13 ATOM 1320 HB1 ARG 82 -25.249 44.134 -16.124 1.00 36.04 ATOM 1321 HB2 ARG 82 -24.330 45.529 -15.572 1.00 45.50 ATOM 1322 CG ARG 82 -25.585 45.896 -17.260 1.00 32.32 ATOM 1323 HG1 ARG 82 -25.983 46.884 -17.063 1.00 36.04 ATOM 1324 HG2 ARG 82 -26.315 45.318 -17.808 1.00 74.34 ATOM 1325 CD ARG 82 -24.329 46.041 -18.105 1.00 13.43 ATOM 1326 HD1 ARG 82 -23.481 46.260 -17.468 1.00 36.04 ATOM 1327 HD2 ARG 82 -24.476 46.864 -18.790 1.00 64.01 ATOM 1328 NE ARG 82 -24.047 44.835 -18.878 1.00 41.22 ATOM 1329 HE ARG 82 -24.651 44.063 -18.768 1.00 3.24 ATOM 1330 CZ ARG 82 -23.024 44.723 -19.718 1.00 5.34 ATOM 1331 NH1 ARG 82 -22.190 45.739 -19.891 1.00 5.44 ATOM 1332 HH11 ARG 82 -22.311 46.600 -19.399 1.00 34.13 ATOM 1333 HH12 ARG 82 -21.420 45.646 -20.527 1.00 40.14 ATOM 1334 NH2 ARG 82 -22.832 43.593 -20.386 1.00 35.12 ATOM 1335 HH21 ARG 82 -23.458 42.821 -20.259 1.00 20.32 ATOM 1336 HH22 ARG 82 -22.061 43.507 -21.020 1.00 73.33 ATOM 1337 C ARG 82 -27.737 45.226 -15.416 1.00 73.31 ATOM 1338 O ARG 82 -28.182 44.083 -15.531 1.00 51.40 ATOM 1339 N LYS 83 -28.427 46.308 -15.761 1.00 35.44 ATOM 1340 HN LYS 83 -28.022 47.200 -15.656 1.00 36.04 ATOM 1341 CA LYS 83 -29.776 46.214 -16.307 1.00 31.43 ATOM 1342 HA LYS 83 -30.101 45.179 -16.254 1.00 73.13 ATOM 1343 CB LYS 83 -30.743 47.068 -15.483 1.00 44.14 ATOM 1344 HB1 LYS 83 -30.769 48.076 -15.878 1.00 36.04 ATOM 1345 HB2 LYS 83 -30.385 47.118 -14.461 1.00 1.51 ATOM 1346 CG LYS 83 -32.164 46.534 -15.468 1.00 14.13 ATOM 1347 HG1 LYS 83 -32.421 46.183 -16.460 1.00 36.04 ATOM 1348 HG2 LYS 83 -32.835 47.338 -15.199 1.00 0.44 ATOM 1349 CD LYS 83 -32.317 45.382 -14.489 1.00 24.20 ATOM 1350 HD1 LYS 83 -31.393 44.819 -14.430 1.00 36.04 ATOM 1351 HD2 LYS 83 -33.104 44.734 -14.847 1.00 72.01 ATOM 1352 CE LYS 83 -32.686 45.876 -13.099 1.00 14.31 ATOM 1353 HE1 LYS 83 -33.333 46.741 -13.177 1.00 36.04 ATOM 1354 HE2 LYS 83 -31.782 46.153 -12.579 1.00 43.11 ATOM 1355 NZ LYS 83 -33.392 44.831 -12.308 1.00 20.53 ATOM 1356 HZ1 LYS 83 -32.786 43.992 -12.194 1.00 22.32 ATOM 1357 HZ2 LYS 83 -34.273 44.548 -12.786 1.00 70.43 ATOM 1358 HZ3 LYS 83 -33.630 45.201 -11.365 1.00 61.51 ATOM 1359 C LYS 83 -29.805 46.658 -17.766 1.00 24.14 ATOM 1360 O LYS 83 -29.668 47.844 -18.066 1.00 10.03 ATOM 1361 N ARG 84 -29.984 45.699 -18.668 1.00 71.01 ATOM 1362 HN ARG 84 -30.085 44.765 -18.372 1.00 36.04 ATOM 1363 CA ARG 84 -30.031 45.992 -20.095 1.00 42.25 ATOM 1364 HA ARG 84 -30.195 47.053 -20.238 1.00 51.12 ATOM 1365 CB ARG 84 -28.707 45.610 -20.760 1.00 1.01 ATOM 1366 HB1 ARG 84 -27.937 46.257 -20.363 1.00 36.04 ATOM 1367 HB2 ARG 84 -28.780 45.790 -21.824 1.00 42.34 ATOM 1368 CG ARG 84 -28.287 44.173 -20.498 1.00 5.01 ATOM 1369 HG1 ARG 84 -29.014 43.676 -19.870 1.00 36.04 ATOM 1370 HG2 ARG 84 -27.333 44.184 -19.992 1.00 15.33 ATOM 1371 CD ARG 84 -28.155 43.386 -21.793 1.00 12.24 ATOM 1372 HD1 ARG 84 -27.972 44.057 -22.624 1.00 36.04 ATOM 1373 HD2 ARG 84 -29.085 42.862 -21.957 1.00 62.34 ATOM 1374 NE ARG 84 -27.064 42.418 -21.736 1.00 63.51 ATOM 1375 HE ARG 84 -26.403 42.508 -21.011 1.00 72.34 ATOM 1376 CZ ARG 84 -26.913 41.429 -22.610 1.00 63.30 ATOM 1377 NH1 ARG 84 -27.779 41.279 -23.603 1.00 23.12 ATOM 1378 HH11 ARG 84 -28.553 41.897 -23.720 1.00 10.04 ATOM 1379 HH12 ARG 84 -27.657 40.528 -24.255 1.00 50.23 ATOM 1380 NH2 ARG 84 -25.893 40.587 -22.492 1.00 55.32 ATOM 1381 HH21 ARG 84 -25.235 40.695 -21.744 1.00 45.12 ATOM 1382 HH22 ARG 84 -25.777 39.840 -23.150 1.00 42.42 ATOM 1383 C ARG 84 -31.182 45.248 -20.766 1.00 11.31 ATOM 1384 O ARG 84 -31.894 44.475 -20.124 1.00 41.42 ATOM 1385 N LYS 85 -31.360 45.487 -22.061 1.00 2.42 ATOM 1386 HN LYS 85 -30.778 46.136 -22.521 1.00 36.04 ATOM 1387 CA LYS 85 -32.423 44.841 -22.820 1.00 35.41 ATOM 1388 HA LYS 85 -32.720 43.931 -22.313 1.00 21.40 ATOM 1389 CB LYS 85 -33.640 45.764 -22.921 1.00 20.33 ATOM 1390 HB1 LYS 85 -34.158 45.755 -21.971 1.00 36.04 ATOM 1391 HB2 LYS 85 -34.316 45.384 -23.679 1.00 42.02 ATOM 1392 CG LYS 85 -33.288 47.197 -23.278 1.00 42.23 ATOM 1393 HG1 LYS 85 -34.082 47.607 -23.889 1.00 36.04 ATOM 1394 HG2 LYS 85 -32.365 47.213 -23.846 1.00 3.30 ATOM 1395 CD LYS 85 -33.108 48.054 -22.036 1.00 73.21 ATOM 1396 HD1 LYS 85 -32.430 48.861 -22.272 1.00 36.04 ATOM 1397 HD2 LYS 85 -32.696 47.468 -21.229 1.00 24.31 ATOM 1398 CE LYS 85 -34.429 48.652 -21.576 1.00 42.22 ATOM 1399 HE1 LYS 85 -35.031 47.869 -21.139 1.00 36.04 ATOM 1400 HE2 LYS 85 -34.948 49.073 -22.428 1.00 23.25 ATOM 1401 NZ LYS 85 -34.228 49.728 -20.566 1.00 54.03 ATOM 1402 HZ1 LYS 85 -33.742 49.350 -19.726 1.00 21.44 ATOM 1403 HZ2 LYS 85 -35.147 50.115 -20.272 1.00 43.30 ATOM 1404 HZ3 LYS 85 -33.656 50.500 -20.968 1.00 70.43 ATOM 1405 C LYS 85 -31.942 44.462 -24.217 1.00 11.11 ATOM 1406 O LYS 85 -30.849 44.847 -24.633 1.00 43.15 ATOM 1407 N LEU 86 -32.765 43.708 -24.937 1.00 21.52 ATOM 1408 HN LEU 86 -33.625 43.419 -24.551 1.00 36.04 ATOM 1409 CA LEU 86 -32.424 43.278 -26.289 1.00 3.24 ATOM 1410 HA LEU 86 -31.564 43.843 -26.632 1.00 12.44 ATOM 1411 CB LEU 86 -32.055 41.794 -26.296 1.00 21.34 ATOM 1412 HB1 LEU 86 -32.822 41.264 -25.744 1.00 36.04 ATOM 1413 HB2 LEU 86 -31.118 41.678 -25.767 1.00 3.34 ATOM 1414 CG LEU 86 -31.920 41.142 -27.672 1.00 43.13 ATOM 1415 HG LEU 86 -32.826 41.294 -28.239 1.00 61.35 ATOM 1416 CD1 LEU 86 -30.772 41.769 -28.449 1.00 21.51 ATOM 1417 HD11 LEU 86 -30.928 42.828 -28.550 1.00 43.32 ATOM 1418 HD12 LEU 86 -30.717 41.325 -29.433 1.00 25.24 ATOM 1419 HD13 LEU 86 -29.841 41.594 -27.927 1.00 4.33 ATOM 1420 CD2 LEU 86 -31.716 39.640 -27.534 1.00 3.50 ATOM 1421 HD21 LEU 86 -30.805 39.444 -26.984 1.00 44.33 ATOM 1422 HD22 LEU 86 -31.646 39.191 -28.516 1.00 72.20 ATOM 1423 HD23 LEU 86 -32.554 39.208 -27.005 1.00 63.43 ATOM 1424 C LEU 86 -33.582 43.531 -27.249 1.00 23.32 ATOM 1425 O LEU 86 -34.736 43.242 -26.933 1.00 45.14 ATOM 1426 N GLU 87 -33.264 44.069 -28.422 1.00 54.31 ATOM 1427 HN GLU 87 -32.325 44.294 -28.614 1.00 36.04 ATOM 1428 CA GLU 87 -34.279 44.359 -29.428 1.00 71.24 ATOM 1429 HA GLU 87 -35.106 44.866 -28.942 1.00 54.21 ATOM 1430 CB GLU 87 -33.710 45.282 -30.508 1.00 10.34 ATOM 1431 HB1 GLU 87 -34.463 45.422 -31.276 1.00 36.04 ATOM 1432 HB2 GLU 87 -32.841 44.812 -30.948 1.00 25.15 ATOM 1433 CG GLU 87 -33.298 46.648 -29.985 1.00 24.15 ATOM 1434 HG1 GLU 87 -32.399 46.537 -29.397 1.00 36.04 ATOM 1435 HG2 GLU 87 -34.089 47.042 -29.362 1.00 35.32 ATOM 1436 CD GLU 87 -33.029 47.642 -31.097 1.00 51.25 ATOM 1437 OE1 GLU 87 -32.654 48.792 -30.787 1.00 11.31 ATOM 1438 OE2 GLU 87 -33.194 47.271 -32.278 1.00 71.11 ATOM 1439 C GLU 87 -34.796 43.072 -30.065 1.00 53.24 ATOM 1440 O GLU 87 -34.298 42.635 -31.103 1.00 65.21 ATOM 1441 N THR 88 -35.800 42.469 -29.436 1.00 52.11 ATOM 1442 HN THR 88 -36.172 42.870 -28.615 1.00 36.04 ATOM 1443 CA THR 88 -36.384 41.232 -29.939 1.00 15.30 ATOM 1444 HA THR 88 -35.677 40.777 -30.629 1.00 63.02 ATOM 1445 CB THR 88 -36.653 40.233 -28.798 1.00 0.23 ATOM 1446 HB THR 88 -37.712 40.219 -28.563 1.00 21.41 ATOM 1447 OG1 THR 88 -35.937 40.628 -27.622 1.00 41.22 ATOM 1448 HG1 THR 88 -36.458 41.263 -27.124 1.00 33.31 ATOM 1449 CG2 THR 88 -36.238 38.826 -29.201 1.00 54.34 ATOM 1450 HG21 THR 88 -35.182 38.811 -29.431 1.00 51.43 ATOM 1451 HG22 THR 88 -36.801 38.517 -30.070 1.00 73.33 ATOM 1452 HG23 THR 88 -36.436 38.147 -28.385 1.00 11.33 ATOM 1453 C THR 88 -37.689 41.502 -30.680 1.00 62.03 ATOM 1454 O THR 88 -38.578 42.181 -30.165 1.00 25.11 ATOM 1455 N ILE 89 -37.797 40.966 -31.891 1.00 54.02 ATOM 1456 HN ILE 89 -37.059 40.420 -32.252 1.00 36.04 ATOM 1457 CA ILE 89 -38.995 41.148 -32.702 1.00 41.11 ATOM 1458 HA ILE 89 -39.515 42.040 -32.365 1.00 73.43 ATOM 1459 CB ILE 89 -38.644 41.342 -34.189 1.00 42.20 ATOM 1460 HB ILE 89 -38.202 40.427 -34.561 1.00 41.21 ATOM 1461 CG1 ILE 89 -37.634 42.480 -34.353 1.00 11.02 ATOM 1462 HG11 ILE 89 -37.350 42.550 -35.394 1.00 36.04 ATOM 1463 HG12 ILE 89 -36.752 42.275 -33.765 1.00 11.44 ATOM 1464 CG2 ILE 89 -39.901 41.622 -34.998 1.00 55.20 ATOM 1465 HG21 ILE 89 -39.630 41.902 -36.008 1.00 65.21 ATOM 1466 HG22 ILE 89 -40.463 42.427 -34.545 1.00 71.55 ATOM 1467 HG23 ILE 89 -40.515 40.735 -35.036 1.00 22.12 ATOM 1468 CD1 ILE 89 -38.172 43.830 -33.933 1.00 2.11 ATOM 1469 HD11 ILE 89 -38.461 43.806 -32.895 1.00 50.04 ATOM 1470 HD12 ILE 89 -39.024 44.095 -34.540 1.00 45.21 ATOM 1471 HD13 ILE 89 -37.400 44.574 -34.066 1.00 13.22 ATOM 1472 C ILE 89 -39.938 39.957 -32.565 1.00 42.42 ATOM 1473 O ILE 89 -39.754 38.928 -33.216 1.00 14.43 ATOM 1474 N VAL 90 -40.949 40.105 -31.715 1.00 53.14 ATOM 1475 HN VAL 90 -41.042 40.958 -31.242 1.00 36.04 ATOM 1476 CA VAL 90 -41.924 39.043 -31.495 1.00 3.22 ATOM 1477 HA VAL 90 -41.428 38.083 -31.605 1.00 25.13 ATOM 1478 CB VAL 90 -42.519 39.114 -30.076 1.00 71.31 ATOM 1479 HB VAL 90 -43.302 38.372 -29.986 1.00 31.30 ATOM 1480 CG1 VAL 90 -41.458 38.793 -29.035 1.00 4.32 ATOM 1481 HG11 VAL 90 -41.898 38.824 -28.047 1.00 54.44 ATOM 1482 HG12 VAL 90 -40.658 39.518 -29.094 1.00 11.11 ATOM 1483 HG13 VAL 90 -41.060 37.804 -29.217 1.00 30.34 ATOM 1484 CG2 VAL 90 -43.130 40.484 -29.823 1.00 31.44 ATOM 1485 HG21 VAL 90 -43.868 40.712 -30.578 1.00 60.11 ATOM 1486 HG22 VAL 90 -42.364 41.242 -29.830 1.00 35.30 ATOM 1487 HG23 VAL 90 -43.611 40.482 -28.855 1.00 5.11 ATOM 1488 C VAL 90 -43.056 39.116 -32.513 1.00 63.14 ATOM 1489 O VAL 90 -43.167 40.085 -33.264 1.00 4.03 ATOM 1490 N GLN 91 -43.894 38.085 -32.533 1.00 62.50 ATOM 1491 HN GLN 91 -43.767 37.351 -31.889 1.00 36.04 ATOM 1492 HA GLN 91 -44.849 38.737 -34.266 1.00 45.10 ATOM 1493 CB GLN 91 -45.139 36.634 -34.069 1.00 31.20 ATOM 1494 HB1 GLN 91 -44.262 36.447 -34.673 1.00 36.04 ATOM 1495 HB2 GLN 91 -46.013 36.606 -34.711 1.00 64.21 ATOM 1496 CG GLN 91 -45.242 35.526 -33.033 1.00 62.01 ATOM 1497 HG1 GLN 91 -45.746 35.883 -32.148 1.00 36.04 ATOM 1498 HG2 GLN 91 -44.241 35.222 -32.765 1.00 32.55 ATOM 1499 CD GLN 91 -45.978 34.307 -33.553 1.00 64.13 ATOM 1500 OE1 GLN 91 -45.446 33.544 -34.361 1.00 40.50 ATOM 1501 NE2 GLN 91 -47.208 34.116 -33.092 1.00 51.10 ATOM 1502 HE21 GLN 91 -47.585 34.757 -32.447 1.00 75.51 ATOM 1503 HE22 GLN 91 -47.699 33.332 -33.417 1.00 23.30 ATOM 1504 CA GLN 91 -45.018 38.032 -33.460 1.00 61.13 ATOM 1505 C GLN 91 -46.319 38.409 -32.760 1.00 52.01 ATOM 1506 OT1 GLN 91 -46.486 38.079 -31.563 1.00 36.04 ATOM 1507 OT2 GLN 91 -47.173 39.039 -33.418 1.00 36.04 ATOM 1508 OH2 TIP3 1 -43.501 26.820 -37.736 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -43.942 26.100 -37.286 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -43.514 27.541 -37.106 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -42.989 28.660 -35.388 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -43.931 28.718 -35.227 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -42.713 29.566 -35.525 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -44.737 30.441 -38.763 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -44.312 29.734 -39.248 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -44.420 31.242 -39.180 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -41.892 26.908 -31.777 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -41.752 26.317 -32.516 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -41.724 27.781 -32.133 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -51.001 28.138 -36.489 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -51.096 27.560 -37.246 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -50.272 27.767 -35.993 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -45.692 28.982 -34.803 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -45.933 29.644 -34.155 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -45.890 28.148 -34.378 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -51.121 27.878 -30.820 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -51.433 28.660 -30.364 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -51.771 27.725 -31.506 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -47.416 29.979 -39.933 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -46.942 30.274 -39.155 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -47.979 30.717 -40.166 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -52.882 29.950 -30.056 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -52.874 29.814 -31.004 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -53.798 29.832 -29.804 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -48.358 29.163 -31.324 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -48.271 29.989 -30.849 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -49.222 28.833 -31.075 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -47.944 32.935 -41.518 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -48.019 32.814 -42.464 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -47.911 33.885 -41.399 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -45.173 32.015 -41.766 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -46.108 32.115 -41.587 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -44.893 31.306 -41.188 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -42.055 33.457 -29.093 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -41.855 33.881 -29.928 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -41.399 33.800 -28.486 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -45.487 28.585 -31.461 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -46.388 28.768 -31.729 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -45.453 28.844 -30.540 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -49.815 30.564 -33.583 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -49.452 31.419 -33.816 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -49.283 30.272 -32.842 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -46.271 26.663 -33.882 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -46.697 26.436 -33.056 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -45.690 25.925 -34.065 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -43.612 31.215 -31.413 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -44.214 30.660 -31.908 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -43.331 31.882 -32.039 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -52.031 31.059 -27.598 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -51.263 30.600 -27.257 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -52.052 30.833 -28.528 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -45.454 29.439 -28.869 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -45.805 28.583 -28.626 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -44.728 29.582 -28.262 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -39.626 32.119 -35.217 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -39.648 32.304 -34.278 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -38.936 32.688 -35.558 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -40.063 31.686 -32.295 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -40.550 30.951 -32.666 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -39.514 31.293 -31.617 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -41.671 29.449 -33.064 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -42.319 29.774 -32.439 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -42.189 29.009 -33.739 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -42.888 32.209 -39.645 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -42.235 31.862 -40.253 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -42.377 32.698 -38.999 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -52.549 30.113 -32.843 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -52.974 30.922 -33.126 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -51.644 30.198 -33.145 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -48.238 31.512 -29.884 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -48.053 31.178 -29.006 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -47.391 31.821 -30.206 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -55.147 33.369 -32.796 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -55.867 33.809 -33.247 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -55.513 33.118 -31.947 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -52.680 32.969 -33.766 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -53.545 33.041 -33.362 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -52.735 33.516 -34.550 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -51.054 31.172 -36.382 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -50.841 30.284 -36.669 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -50.989 31.138 -35.427 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -41.690 30.740 -29.487 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -42.472 30.554 -30.007 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -41.762 31.669 -29.270 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -39.564 32.072 -25.751 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -38.821 32.658 -25.891 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -40.259 32.640 -25.418 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -47.939 30.567 -27.367 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -48.583 29.936 -27.045 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -47.177 30.036 -27.599 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -43.335 30.384 -27.133 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -43.052 29.590 -26.680 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -42.595 30.617 -27.694 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -47.617 32.426 -25.461 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -46.751 32.792 -25.639 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -47.864 31.986 -26.274 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -46.140 43.482 -39.457 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -46.051 44.426 -39.589 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -46.779 43.207 -40.115 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -47.207 42.737 -36.038 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -47.245 42.091 -35.333 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -47.530 42.271 -36.809 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -43.501 45.676 -37.736 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -43.942 44.956 -37.286 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -43.514 46.397 -37.106 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -48.818 45.170 -35.632 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -48.514 44.484 -36.226 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -48.096 45.288 -35.014 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -52.522 37.665 -38.032 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -52.479 38.525 -38.450 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -52.980 37.113 -38.665 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -44.800 37.796 -39.631 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -44.154 37.467 -39.006 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -44.290 38.314 -40.254 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -50.746 41.612 -38.054 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -50.130 41.086 -37.545 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -51.332 40.972 -38.458 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -53.712 36.583 -33.958 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -53.931 37.113 -34.724 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -54.380 36.810 -33.310 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -51.143 44.259 -33.670 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -51.883 44.857 -33.567 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -50.429 44.813 -33.986 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -43.036 37.087 -37.650 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -43.251 36.321 -37.118 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -42.380 37.559 -37.137 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -54.118 38.475 -36.005 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -53.505 39.108 -35.632 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -53.606 38.003 -36.662 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -42.989 47.516 -35.388 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -43.931 47.574 -35.227 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -42.713 48.422 -35.525 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -49.686 33.889 -36.505 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -49.803 32.940 -36.559 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -50.541 34.221 -36.232 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -41.892 45.764 -31.777 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -41.752 45.173 -32.516 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -41.724 46.637 -32.133 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -44.013 42.936 -41.053 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -44.745 43.164 -40.480 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -43.566 42.222 -40.598 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -52.001 42.335 -35.537 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -51.436 42.456 -36.300 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -51.682 42.972 -34.898 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -39.337 48.445 -30.200 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -39.386 47.490 -30.237 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -40.163 48.713 -29.798 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -52.417 34.792 -35.727 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -53.278 34.705 -36.135 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -52.439 35.648 -35.300 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -52.326 39.758 -34.632 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -52.968 39.717 -33.923 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -52.289 40.684 -34.870 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -46.793 40.395 -40.903 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -47.202 41.210 -41.195 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -46.073 40.255 -41.518 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -45.789 39.841 -38.089 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -45.984 40.446 -38.804 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -45.607 39.007 -38.524 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -54.576 40.078 -32.765 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -54.614 40.478 -31.897 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -55.067 39.261 -32.675 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -49.747 37.406 -38.634 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -50.658 37.463 -38.345 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -49.242 37.346 -37.823 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -47.737 44.979 -31.411 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -48.083 44.598 -30.605 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -47.937 45.913 -31.340 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -50.107 42.068 -29.351 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -50.403 41.902 -30.246 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -49.176 41.848 -29.361 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -45.487 47.441 -31.461 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -46.388 47.624 -31.729 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -45.453 47.700 -30.540 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -44.300 43.280 -35.607 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -45.228 43.048 -35.634 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -43.849 42.503 -35.937 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -46.271 45.519 -33.882 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -46.697 45.292 -33.056 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -45.690 44.781 -34.065 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -45.971 36.697 -42.019 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -45.751 37.169 -42.822 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -45.413 37.092 -41.348 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -48.771 38.425 -41.184 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -47.959 38.929 -41.138 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -49.016 38.280 -40.270 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -47.887 35.506 -40.246 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -48.234 36.124 -39.601 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -47.229 36.007 -40.727 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -42.342 50.325 -35.446 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -42.498 51.003 -36.103 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -41.410 50.397 -35.243 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -50.066 44.776 -28.831 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -50.394 45.047 -29.689 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -49.914 43.835 -28.919 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -44.331 44.692 -31.448 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -43.586 45.280 -31.568 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -45.088 45.274 -31.385 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -51.942 41.015 -31.470 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -52.560 41.690 -31.189 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -51.598 41.336 -32.303 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -46.922 43.486 -28.192 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -45.969 43.570 -28.220 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -47.082 42.775 -27.573 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -51.602 38.370 -30.387 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -51.452 37.641 -30.990 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -51.600 39.147 -30.946 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -51.190 36.740 -32.895 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -50.654 37.191 -33.547 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -52.042 36.632 -33.317 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -49.608 42.179 -32.655 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -48.857 42.023 -33.228 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -49.947 43.031 -32.931 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -53.124 39.568 -28.476 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -53.891 39.036 -28.686 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -52.445 39.258 -29.075 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -44.770 36.279 -27.819 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -44.867 35.327 -27.825 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -45.092 36.548 -26.958 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -50.162 33.490 -29.792 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -49.450 32.850 -29.806 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -50.263 33.757 -30.706 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -49.809 35.173 -27.738 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -49.940 34.697 -28.559 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -50.408 35.917 -27.794 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -39.626 50.975 -35.217 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -39.648 51.160 -34.278 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -38.936 51.544 -35.558 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -40.063 50.542 -32.295 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -40.550 49.807 -32.666 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -39.514 50.149 -31.617 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -41.612 46.332 -27.657 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -42.478 46.227 -27.263 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -41.236 47.091 -27.210 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -40.311 44.589 -42.143 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -39.461 45.010 -42.015 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -40.306 43.849 -41.535 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -39.917 42.642 -40.319 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -40.643 42.163 -39.921 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -39.336 42.848 -39.587 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -41.671 48.305 -33.064 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -42.319 48.630 -32.439 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -42.189 47.865 -33.739 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -42.130 41.163 -39.756 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -42.280 40.218 -39.776 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -42.484 41.444 -38.912 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -42.420 38.746 -41.294 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -42.140 37.839 -41.169 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -41.661 39.180 -41.683 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -39.496 34.044 -27.728 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -39.146 33.390 -28.334 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -39.349 34.881 -28.168 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -41.806 36.009 -41.245 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -41.624 35.560 -40.420 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -42.406 35.424 -41.709 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -40.975 34.243 -31.560 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -41.788 34.568 -31.948 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -40.742 33.483 -32.093 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -47.545 35.692 -37.237 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -48.220 35.063 -36.982 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -46.981 35.208 -37.840 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -42.403 33.799 -37.125 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -41.799 34.347 -37.626 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -43.272 34.119 -37.365 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -40.676 34.938 -38.791 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -40.064 34.424 -39.318 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -40.293 35.816 -38.768 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -50.639 34.253 -39.602 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -49.765 34.641 -39.632 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -50.775 34.038 -38.679 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -53.288 34.191 -28.362 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -52.389 33.917 -28.547 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -53.674 33.448 -27.898 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -44.866 33.523 -28.180 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -44.790 33.097 -27.326 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -43.973 33.537 -28.522 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -47.365 41.184 -26.110 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -46.664 41.206 -25.459 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -47.063 40.556 -26.766 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -40.050 42.104 -14.855 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -40.702 42.799 -14.766 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -39.585 42.314 -15.665 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -45.142 42.098 -24.512 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -44.563 42.248 -23.765 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -44.728 42.569 -25.235 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -41.444 33.848 -24.699 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -42.343 33.987 -24.404 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -41.192 34.679 -25.101 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -40.254 48.214 -26.322 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -40.181 49.153 -26.152 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -39.349 47.909 -26.379 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -39.337 48.445 -11.344 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -39.386 47.490 -11.381 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -40.163 48.713 -10.942 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -48.092 37.007 -26.212 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -48.346 37.026 -25.289 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -48.349 36.135 -26.513 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -51.210 37.452 -27.111 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -51.641 37.007 -26.381 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -51.928 37.824 -27.623 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -45.359 37.609 -25.593 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -46.297 37.721 -25.744 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -45.062 38.466 -25.287 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -44.641 39.476 -23.932 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -43.749 39.339 -23.613 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -44.584 40.267 -24.469 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -39.756 39.686 -24.238 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -40.310 39.290 -24.910 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -39.655 40.596 -24.515 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -39.792 45.486 -11.401 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -40.644 45.724 -11.768 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -39.202 45.469 -12.154 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -41.460 48.472 -23.773 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -41.833 47.646 -23.463 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -41.183 48.289 -24.670 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -44.068 46.448 -25.952 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -43.715 46.068 -25.148 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -45.017 46.355 -25.866 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -39.564 50.928 -25.751 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -38.821 51.514 -25.891 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -40.259 51.496 -25.418 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -43.202 45.121 -23.726 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -43.479 44.393 -23.170 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -42.275 45.240 -23.520 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -45.971 36.697 -23.163 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -45.751 37.169 -23.966 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -45.413 37.092 -22.492 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -47.028 46.197 -27.540 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -47.296 46.377 -26.639 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -47.234 45.271 -27.671 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -50.160 41.365 -26.707 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -50.340 41.211 -27.635 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -49.209 41.473 -26.663 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -39.626 50.975 -16.361 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -39.648 51.160 -15.422 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -38.936 51.544 -16.702 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -40.311 44.589 -23.287 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -39.461 45.010 -23.159 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -40.306 43.849 -22.679 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -39.917 42.642 -21.463 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -40.643 42.163 -21.065 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -39.336 42.848 -20.731 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -40.158 45.427 -16.515 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -39.324 45.049 -16.796 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -40.046 46.370 -16.634 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -39.649 42.543 -25.072 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -40.170 42.900 -25.791 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -39.682 43.218 -24.394 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -39.777 41.036 -10.577 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -40.640 40.657 -10.742 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -39.173 40.297 -10.651 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -42.420 38.746 -22.438 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -42.140 37.839 -22.313 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -41.661 39.180 -22.827 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -41.806 36.009 -22.389 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -41.624 35.560 -21.564 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -42.406 35.424 -22.853 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -39.940 36.076 -25.861 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -39.527 35.355 -26.337 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -39.258 36.746 -25.803 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -43.729 34.309 -23.404 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -44.432 34.923 -23.614 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -44.174 33.471 -23.273 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -40.908 50.845 -22.781 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -41.102 50.097 -23.346 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -40.947 51.603 -23.365 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -40.676 53.794 -19.935 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -40.064 53.280 -20.462 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -40.293 54.672 -19.912 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -21.194 -14.464 22.857 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -21.846 -13.769 22.946 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -20.729 -14.254 22.047 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -20.481 -8.123 26.368 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -20.530 -9.078 26.331 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -21.307 -7.855 26.770 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -23.199 -4.255 27.475 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -22.999 -3.831 26.640 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -22.543 -3.912 28.082 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -23.486 -6.243 21.122 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -23.642 -5.565 20.465 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -22.554 -6.171 21.325 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -21.207 -6.026 24.273 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -21.694 -6.761 23.902 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -20.658 -6.419 24.951 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -21.302 -11.141 21.197 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -20.468 -11.519 20.916 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -21.190 -10.198 21.078 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -22.815 -8.263 23.504 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -23.463 -7.938 24.129 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -23.333 -8.703 22.829 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -24.181 -4.407 23.218 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -24.363 -3.491 23.007 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -24.005 -4.817 22.371 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -27.534 13.069 0.188 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -26.914 12.392 -0.085 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -27.742 12.851 1.096 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -20.481 10.733 7.512 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -20.530 9.778 7.475 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -21.307 11.001 7.914 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -24.756 12.359 6.299 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -25.358 11.804 5.804 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -24.475 13.026 5.673 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -23.486 12.613 2.266 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -23.642 13.291 1.609 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -22.554 12.685 2.469 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -26.598 10.583 8.843 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -26.949 9.727 9.086 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -25.872 10.726 9.450 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -20.770 13.263 2.495 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -20.792 13.448 3.434 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -20.080 13.832 2.154 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -21.207 12.830 5.417 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -21.694 12.095 5.046 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -20.658 12.437 6.095 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -24.032 13.353 -1.933 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -23.379 13.006 -2.541 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -23.521 13.842 -1.287 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -29.382 12.656 7.828 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -29.197 12.322 8.706 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -28.535 12.965 7.506 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -27.037 13.941 7.072 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -26.360 13.309 6.832 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -26.715 14.343 7.880 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -29.113 14.001 3.122 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -29.570 14.530 2.468 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -28.950 14.604 3.847 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -26.786 12.879 4.067 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -27.690 13.044 3.801 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -26.357 13.732 4.001 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -24.181 14.449 4.362 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -24.363 15.365 4.151 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -24.005 14.039 3.515 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -22.052 13.133 -3.925 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -22.246 12.385 -4.490 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -22.091 13.891 -4.509 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -22.834 11.884 8.225 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -23.616 11.698 7.705 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -22.906 12.813 8.442 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -24.645 7.964 18.832 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -25.086 7.244 19.282 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -24.658 8.685 19.462 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -27.534 13.069 19.044 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -26.914 12.392 18.771 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -27.742 12.851 19.952 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -21.299 -0.941 21.797 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -21.250 -0.331 22.533 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -20.873 -0.480 21.074 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -20.907 0.537 24.033 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -21.596 1.195 23.938 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -20.892 0.340 24.970 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -24.180 -0.625 18.918 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -24.395 -1.391 19.450 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -23.524 -0.153 19.431 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -24.133 9.804 21.180 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -25.075 9.862 21.341 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -23.857 10.710 21.043 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -23.833 -1.910 22.597 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -24.569 -1.299 22.559 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -23.149 -1.495 22.071 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -25.881 11.585 17.805 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -25.456 10.878 17.320 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -25.564 12.386 17.388 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -24.722 9.486 16.314 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -24.979 8.796 15.702 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -24.651 9.043 17.159 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -23.036 8.052 24.791 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -22.896 7.461 24.052 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -22.868 8.925 24.435 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -21.194 4.392 22.857 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -21.846 5.087 22.946 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -20.729 4.602 22.047 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -21.398 10.502 11.390 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -21.325 11.441 11.560 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -20.493 10.197 11.333 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -20.481 10.733 26.368 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -20.530 9.778 26.331 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -21.307 11.001 26.770 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -29.088 14.079 15.050 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -29.163 13.958 14.104 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -29.055 15.029 15.169 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -25.986 13.233 12.053 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -25.611 12.489 11.582 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -25.982 12.963 12.971 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -26.317 13.159 14.802 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -27.252 13.259 14.981 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -26.037 12.450 15.380 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -23.199 14.601 27.475 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -22.999 15.025 26.640 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -22.543 14.944 28.082 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -23.251 6.216 22.706 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -22.609 6.673 22.163 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -24.081 6.329 22.244 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -20.936 7.774 26.311 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -21.788 8.012 25.944 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -20.346 7.757 25.558 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -22.604 10.760 13.939 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -22.977 9.934 14.249 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -22.327 10.577 13.042 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -24.756 12.359 25.155 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -25.358 11.804 24.660 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -24.475 13.026 24.529 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -20.708 13.216 11.961 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -19.965 13.802 11.821 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -21.403 13.784 12.294 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -23.175 -0.394 25.404 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -24.091 -0.131 25.316 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -22.839 -0.397 24.507 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -23.486 12.613 21.122 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -23.642 13.291 20.465 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -22.554 12.685 21.325 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -29.083 11.711 10.345 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -29.727 11.080 10.667 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -28.321 11.180 10.113 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -24.479 11.528 10.579 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -24.196 10.734 11.032 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -23.739 11.761 10.018 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -31.406 14.344 12.006 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -30.473 14.502 12.150 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -31.670 15.019 11.381 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -21.061 4.930 16.249 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -21.787 4.451 16.647 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -20.480 5.136 16.981 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -21.302 7.715 21.197 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -20.468 7.337 20.916 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -21.190 8.658 21.078 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -22.815 10.593 23.504 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -23.463 10.918 24.129 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -23.333 10.153 22.829 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -22.418 5.421 26.451 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -21.835 4.687 26.642 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -21.854 6.193 26.497 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -20.921 3.324 27.135 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -21.784 2.945 26.970 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -20.317 2.585 27.061 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -22.952 1.615 20.710 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -22.019 1.827 20.676 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -23.187 1.717 21.633 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -22.923 2.352 23.486 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -23.766 2.620 23.852 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -22.480 3.174 23.275 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -20.640 -3.668 28.840 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -20.290 -4.322 28.234 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -20.493 -2.831 28.400 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -21.120 -1.559 27.189 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -22.037 -1.288 27.153 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -20.997 -2.094 26.405 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -24.032 13.353 16.923 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -23.379 13.006 16.315 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -23.521 13.842 17.569 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -22.119 -3.469 25.008 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -22.932 -3.144 24.620 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -21.886 -4.229 24.475 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -26.786 12.879 22.923 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -27.690 13.044 22.657 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -26.357 13.732 22.857 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -24.181 14.449 23.218 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -24.363 15.365 23.007 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -24.005 14.039 22.371 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -23.547 -3.913 19.443 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -22.943 -3.365 18.942 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -24.416 -3.593 19.203 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -21.820 -2.774 17.777 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -21.208 -3.288 17.250 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -21.437 -1.896 17.800 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -28.761 13.570 12.251 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -27.895 13.936 12.073 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -29.008 13.130 11.438 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -22.052 13.133 14.931 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -22.246 12.385 14.366 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -22.091 13.891 14.347 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -22.834 11.884 27.081 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -23.616 11.698 26.561 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -22.906 12.813 27.298 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -37.772 32.140 -29.218 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -37.232 31.923 -28.459 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -38.253 31.334 -29.408 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -36.291 33.369 -32.796 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -37.011 33.809 -33.247 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -36.657 33.118 -31.947 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -33.824 32.969 -33.766 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -34.689 33.041 -33.362 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -33.879 33.516 -34.550 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -36.876 31.992 -35.885 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -36.895 31.567 -35.028 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -36.071 31.674 -36.294 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -24.645 26.820 -18.880 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -25.086 26.100 -18.430 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -24.658 27.541 -18.250 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -20.907 19.393 -13.679 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -21.596 20.051 -13.774 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -20.892 19.196 -12.742 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -24.133 28.660 -16.532 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -25.075 28.718 -16.371 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -23.857 29.566 -16.669 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -21.194 23.248 -14.855 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -21.846 23.943 -14.766 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -20.729 23.458 -15.665 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -25.260 22.254 -13.129 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -25.180 23.017 -12.557 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -25.861 22.533 -13.820 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -26.836 28.982 -15.947 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -27.077 29.644 -15.299 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -27.034 28.148 -15.522 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -29.502 29.163 -12.468 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -29.415 29.989 -11.993 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -30.366 28.833 -12.219 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -23.329 21.082 -10.864 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -23.736 21.563 -11.584 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -23.288 20.177 -11.171 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -25.572 19.414 -12.643 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -26.086 19.288 -11.846 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -25.727 20.326 -12.888 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -28.835 21.714 -10.559 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -29.398 21.010 -10.239 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -28.009 21.594 -10.092 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -27.669 22.623 -14.562 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -27.345 21.992 -15.205 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -28.109 22.088 -13.901 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -23.251 25.072 -15.006 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -22.609 25.529 -15.549 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -24.081 25.185 -15.468 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -28.881 26.123 -12.555 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -29.227 25.742 -11.749 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -29.081 27.057 -12.484 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -31.251 23.212 -10.495 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -31.547 23.046 -11.390 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -30.320 22.992 -10.505 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -25.444 24.424 -16.751 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -26.372 24.192 -16.778 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -24.993 23.647 -17.081 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -27.415 26.663 -15.026 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -27.841 26.436 -14.200 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -26.834 25.925 -15.209 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -23.175 18.462 -12.308 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -24.091 18.725 -12.396 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -22.839 18.459 -13.205 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -23.486 31.469 -16.590 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -23.642 32.147 -17.247 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -22.554 31.541 -16.387 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -33.175 31.059 -8.742 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -32.407 30.600 -8.401 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -33.196 30.833 -9.672 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -31.210 25.920 -9.975 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -31.538 26.191 -10.833 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -31.058 24.979 -10.063 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -26.336 21.138 -8.771 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -26.144 20.207 -8.882 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -25.479 21.563 -8.781 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -25.020 23.927 -10.693 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -25.301 24.636 -11.271 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -24.077 23.854 -10.844 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -30.264 19.662 -10.044 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -30.500 19.442 -9.142 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -31.047 19.455 -10.553 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -25.914 17.423 -8.963 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -26.011 16.471 -8.969 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -26.236 17.692 -8.102 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -31.406 33.200 -25.706 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -30.473 33.358 -25.562 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -31.670 33.875 -26.331 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -20.770 32.119 -16.361 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -20.792 32.304 -15.422 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -20.080 32.688 -16.702 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -21.207 31.686 -13.439 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -21.694 30.951 -13.810 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -20.658 31.293 -12.761 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -21.302 26.571 -16.515 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -20.468 26.193 -16.796 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -21.190 27.514 -16.634 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -22.923 21.208 -14.226 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -23.766 21.476 -13.860 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -22.480 22.030 -14.437 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -21.120 17.297 -10.523 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -22.037 17.568 -10.559 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -20.997 16.762 -11.307 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -29.382 31.512 -11.028 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -29.197 31.178 -10.150 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -28.535 31.821 -11.350 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -27.037 32.797 -11.784 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -26.360 32.165 -12.024 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -26.715 33.199 -10.976 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -29.113 32.857 -15.734 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -29.570 33.386 -16.388 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -28.950 33.460 -15.009 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -26.786 31.735 -14.789 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -27.690 31.900 -15.055 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -26.357 32.588 -14.855 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -24.181 33.305 -14.494 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -24.363 34.221 -14.705 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -24.005 32.895 -15.341 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -35.807 32.136 -26.833 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -36.075 32.423 -25.960 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -35.036 31.590 -26.681 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -29.962 26.314 2.080 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -29.658 25.628 1.486 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -29.240 26.432 2.698 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -25.944 18.940 -1.919 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -25.298 18.611 -1.294 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -25.434 19.458 -2.542 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -31.890 22.756 -0.342 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -31.274 22.230 0.167 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -32.476 22.116 -0.746 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -32.287 25.403 4.042 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -33.027 26.001 4.145 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -31.573 25.957 3.726 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -33.879 27.367 4.829 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -33.885 28.246 4.451 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -34.733 27.284 5.254 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -25.881 30.441 -1.051 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -25.456 29.734 -1.536 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -25.564 31.242 -1.468 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -32.145 28.138 1.223 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -32.240 27.560 0.466 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -31.416 27.767 1.719 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -33.145 23.479 2.175 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -32.580 23.600 1.412 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -32.826 24.116 2.814 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -32.265 27.878 6.892 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -32.577 28.660 7.348 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -32.915 27.725 6.206 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -28.560 29.979 -2.221 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -28.086 30.274 -1.443 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -29.123 30.717 -2.454 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -22.588 14.992 -5.843 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -23.487 15.131 -5.548 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -22.336 15.823 -6.245 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -29.502 29.163 6.388 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -29.415 29.989 6.863 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -30.366 28.833 6.637 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -35.434 31.724 -2.025 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -35.282 31.376 -1.146 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -36.285 31.368 -2.280 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -26.317 32.015 -4.054 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -27.252 32.115 -3.875 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -26.037 31.306 -3.476 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -28.898 15.658 5.359 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -28.478 15.243 6.112 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -29.831 15.480 5.476 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -29.236 18.151 -7.356 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -29.490 18.170 -6.433 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -29.493 17.279 -7.657 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -33.470 20.902 3.080 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -34.112 20.861 3.789 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -33.433 21.828 2.842 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -26.933 20.985 -0.377 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -27.128 21.590 -1.092 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -26.751 20.151 -0.812 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -30.891 18.550 -0.922 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -31.802 18.607 -0.633 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -30.386 18.490 -0.111 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -23.199 33.457 8.619 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -22.999 33.881 7.784 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -22.543 33.800 9.226 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.571 21.338 0.965 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -29.007 20.791 0.418 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -29.719 20.816 1.754 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -30.945 19.726 3.379 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -31.780 20.180 3.489 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -30.421 20.002 4.131 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -30.401 25.939 -4.936 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -31.145 25.432 -5.259 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -30.535 25.988 -3.990 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -26.503 18.753 -6.737 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -27.441 18.865 -6.888 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -26.206 19.610 -6.431 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -31.251 23.212 8.361 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -31.547 23.046 7.466 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -30.320 22.992 8.351 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -32.901 28.752 -1.762 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -32.374 29.525 -1.963 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -33.781 28.977 -2.064 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -31.474 26.415 -2.186 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -31.715 27.340 -2.144 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -32.214 25.956 -1.790 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -30.959 30.564 4.129 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -30.596 31.419 3.896 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -30.427 30.272 4.870 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -32.790 31.437 -2.641 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -33.740 31.542 -2.589 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -32.439 32.257 -2.296 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -24.756 31.215 6.299 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -25.358 30.660 5.804 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -24.475 31.882 5.673 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -31.121 28.704 -8.649 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -30.882 27.956 -9.197 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -31.390 28.316 -7.817 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -32.184 28.274 -6.193 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -32.037 27.754 -5.403 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -32.187 29.181 -5.887 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -27.899 18.189 4.596 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -27.201 18.263 5.246 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -28.280 17.325 4.751 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -27.115 17.841 -4.307 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -26.895 18.313 -5.110 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -26.557 18.236 -3.636 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -29.446 29.972 -5.444 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -30.263 30.469 -5.391 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -28.917 30.447 -6.084 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -29.915 19.569 -3.472 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -29.103 20.073 -3.426 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -30.160 19.424 -2.558 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -32.108 31.015 -5.462 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -31.947 31.815 -5.963 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -32.305 31.322 -4.577 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -23.486 31.469 2.266 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -23.642 32.147 1.609 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -22.554 31.541 2.469 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -29.083 30.567 -8.511 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -29.727 29.936 -8.189 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -28.321 30.036 -8.743 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -26.598 29.439 8.843 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -26.949 28.583 9.086 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -25.872 29.582 9.450 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -33.524 26.294 -8.420 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -33.460 25.500 -7.889 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -32.871 26.175 -9.109 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -31.210 25.920 8.881 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -31.538 26.191 8.023 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -31.058 24.979 8.793 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -32.375 24.266 -6.114 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -32.834 23.782 -5.428 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -32.120 23.598 -6.750 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -33.086 22.159 6.242 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -33.704 22.834 6.523 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -32.742 22.480 5.409 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -31.304 22.509 -7.851 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -31.484 22.355 -8.779 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -30.353 22.617 -7.807 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -32.746 19.514 7.325 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -32.596 18.785 6.722 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -32.744 20.291 6.766 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -32.334 17.884 4.817 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -31.798 18.335 4.165 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -33.186 17.776 4.395 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -30.752 23.323 5.057 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -30.001 23.167 4.484 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -31.091 24.175 4.781 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -30.264 19.662 8.812 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -30.500 19.442 9.714 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -31.047 19.455 8.303 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -31.306 14.634 7.920 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -30.594 13.994 7.906 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -31.407 14.901 7.006 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -30.953 16.317 9.974 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -31.084 15.841 9.153 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -31.552 17.061 9.918 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -31.406 33.200 -6.850 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -30.473 33.358 -6.706 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -31.670 33.875 -7.475 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -22.815 29.449 4.648 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -23.463 29.774 5.273 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -23.333 29.009 3.973 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -23.196 18.335 -8.548 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -22.586 17.963 -7.911 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -24.033 17.913 -8.352 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -22.950 17.153 -3.533 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -22.768 16.704 -2.708 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -23.550 16.568 -3.997 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -21.084 17.220 -7.005 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -20.671 16.499 -7.481 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -20.402 17.890 -6.947 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -29.382 31.512 7.828 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -29.197 31.178 8.706 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -28.535 31.821 7.506 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -27.037 32.797 7.072 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -26.360 32.165 6.832 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -26.715 33.199 7.880 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -22.119 15.387 6.152 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -22.932 15.712 5.764 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -21.886 14.627 5.619 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -33.824 32.969 3.946 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -34.689 33.041 4.350 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -33.879 33.516 3.162 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -26.786 31.735 4.067 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -27.690 31.900 3.801 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -26.357 32.588 4.001 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -24.181 33.305 4.362 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -24.363 34.221 4.151 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -24.005 32.895 3.515 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -34.735 30.702 0.482 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -34.954 29.786 0.651 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -33.911 30.842 0.948 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -32.198 31.172 1.330 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -31.985 30.284 1.043 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -32.133 31.138 2.285 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -28.689 16.836 0.475 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -29.364 16.207 0.730 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -28.125 16.352 -0.128 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -23.547 14.943 0.587 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -22.943 15.491 0.086 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -24.416 15.263 0.347 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -26.226 15.427 -0.241 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -26.150 15.522 -1.190 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -26.502 14.519 -0.112 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -24.873 15.453 -4.548 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -25.576 16.067 -4.758 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -25.318 14.615 -4.417 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -22.834 30.740 8.225 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -23.616 30.554 7.705 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -22.906 31.669 8.442 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -27.284 24.626 17.111 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -27.195 25.570 16.979 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -27.923 24.351 16.453 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -28.351 23.881 20.530 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -28.389 23.235 21.235 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -28.674 23.415 19.759 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -24.645 26.820 18.832 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -25.086 26.100 19.282 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -24.658 27.541 19.462 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -26.821 20.708 21.264 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -26.678 19.761 21.284 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -26.927 20.915 20.335 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -25.944 18.940 16.937 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -25.298 18.611 17.562 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -25.434 19.458 16.314 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -20.907 19.393 24.033 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -21.596 20.051 23.938 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -20.892 19.196 24.970 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -27.487 27.227 16.154 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -27.783 26.905 15.303 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -27.811 28.127 16.196 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -24.180 18.231 18.918 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -24.395 17.465 19.450 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -23.524 18.703 19.431 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -23.833 16.946 22.597 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -24.569 17.557 22.559 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -23.149 17.361 22.071 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -25.881 30.441 17.805 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -25.456 29.734 17.320 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -25.564 31.242 17.388 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -24.722 28.342 16.314 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -24.979 27.652 15.702 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -24.651 27.899 17.159 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -28.563 23.870 14.563 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -29.275 24.405 14.212 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -27.872 23.926 13.903 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -21.194 23.248 22.857 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -21.846 23.943 22.946 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -20.729 23.458 22.047 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -25.260 22.254 24.583 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -25.180 23.017 25.155 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -25.861 22.533 23.892 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -28.560 29.979 16.635 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -28.086 30.274 17.413 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -29.123 30.717 16.402 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -25.986 32.089 12.053 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -25.611 31.345 11.582 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -25.982 31.819 12.971 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -26.317 32.015 14.802 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -27.252 32.115 14.981 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -26.037 31.306 15.380 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -25.572 19.414 25.069 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -26.086 19.288 25.866 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -25.727 20.326 24.824 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -29.236 18.151 11.500 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -29.490 18.170 12.423 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -29.493 17.279 11.199 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -27.937 21.539 15.665 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -28.346 22.354 15.373 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -27.217 21.399 15.050 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -26.933 20.985 18.479 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -27.128 21.590 17.764 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -26.751 20.151 18.044 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -32.354 18.596 10.601 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -32.785 18.151 11.331 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -33.072 18.968 10.089 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -26.486 17.785 21.198 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -27.163 17.916 21.862 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -26.972 17.630 20.388 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -30.401 25.939 13.920 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -31.145 25.432 13.597 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -30.535 25.988 14.866 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -23.251 25.072 22.706 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -22.609 25.529 22.163 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -24.081 25.185 22.244 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -28.275 27.398 12.945 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -28.570 28.224 13.327 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -28.978 26.778 13.141 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -25.444 24.424 20.961 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -26.372 24.192 20.934 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -24.993 23.647 20.631 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -20.708 32.072 11.961 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -19.965 32.658 11.821 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -21.403 32.640 12.294 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -31.121 28.704 10.207 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -30.882 27.956 9.659 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -31.390 28.316 11.039 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -32.184 28.274 12.663 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -32.037 27.754 13.453 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -32.187 29.181 12.969 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -27.115 17.841 14.549 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -26.895 18.313 13.746 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -26.557 18.236 15.220 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -29.446 29.972 13.412 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -30.263 30.469 13.465 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -28.917 30.447 12.772 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -29.915 19.569 15.384 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -29.103 20.073 15.430 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -30.160 19.424 16.298 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -29.031 16.650 16.322 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -29.378 17.268 16.967 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -28.373 17.151 15.841 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -23.175 18.462 25.404 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -24.091 18.725 25.316 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -22.839 18.459 24.507 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -24.573 22.213 19.500 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -25.370 21.798 19.171 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -24.128 21.522 19.991 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -29.083 30.567 10.345 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -29.727 29.936 10.667 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -28.321 30.036 10.113 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -24.479 30.384 10.579 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -24.196 29.590 11.032 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -23.739 30.617 10.018 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -33.524 26.294 10.436 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -33.460 25.500 10.967 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -32.871 26.175 9.747 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -32.375 24.266 12.742 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -32.834 23.782 13.428 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -32.120 23.598 12.106 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -31.304 22.509 11.005 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -31.484 22.355 10.077 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -30.353 22.617 11.049 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -21.302 26.571 21.197 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -20.468 26.193 20.916 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -21.190 27.514 21.078 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -20.921 22.180 27.135 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -21.784 21.801 26.970 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -20.317 21.441 27.061 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -22.923 21.208 23.486 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -23.766 21.476 23.852 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -22.480 22.030 23.275 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -20.640 15.188 28.840 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -20.290 14.534 28.234 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -20.493 16.025 28.400 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -21.120 17.297 27.189 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -22.037 17.568 27.153 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -20.997 16.762 26.405 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -24.032 32.209 16.923 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -23.379 31.862 16.315 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -23.521 32.698 17.569 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -22.119 15.387 25.008 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -22.932 15.712 24.620 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -21.886 14.627 24.475 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -26.226 15.427 18.615 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -26.150 15.522 17.666 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -26.502 14.519 18.744 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -30.639 17.477 13.856 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -30.461 16.831 14.539 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -30.693 18.311 14.323 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -22.052 31.989 14.931 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -22.246 31.241 14.366 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -22.091 32.747 14.347 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -28.351 42.737 -36.038 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -28.389 42.091 -35.333 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -28.674 42.271 -36.809 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -35.059 46.802 -35.910 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -35.429 46.000 -36.279 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -34.118 46.633 -35.863 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -38.449 40.462 -40.517 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -38.897 41.308 -40.535 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -39.010 39.882 -41.032 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -37.739 42.624 -38.391 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -37.525 41.854 -37.864 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -37.001 42.713 -38.994 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -29.962 45.170 -35.632 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -29.658 44.484 -36.226 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -29.240 45.288 -35.014 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -33.666 37.665 -38.032 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -33.623 38.525 -38.450 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -34.124 37.113 -38.665 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -31.890 41.612 -38.054 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -31.274 41.086 -37.545 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -32.476 40.972 -38.458 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -34.856 36.583 -33.958 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -35.075 37.113 -34.724 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -35.524 36.810 -33.310 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -35.262 38.475 -36.005 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -34.649 39.108 -35.632 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -34.750 38.003 -36.662 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -25.260 41.110 -31.985 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -25.180 41.873 -31.413 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -25.861 41.389 -32.676 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -33.512 43.566 -39.170 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -33.842 43.196 -39.989 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -32.924 42.896 -38.824 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -32.145 46.994 -36.489 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -32.240 46.416 -37.246 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -31.416 46.623 -35.993 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -33.145 42.335 -35.537 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -32.580 42.456 -36.300 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -32.826 42.972 -34.898 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -26.836 47.838 -34.803 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -27.077 48.500 -34.155 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -27.034 47.004 -34.378 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -34.522 42.636 -41.581 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -34.814 43.404 -42.072 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -35.196 41.976 -41.744 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -38.678 47.779 -35.882 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -37.732 47.635 -35.901 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -38.791 48.563 -35.345 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -23.329 39.938 -29.720 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -23.736 40.419 -30.440 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -23.288 39.033 -30.027 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -33.561 34.792 -35.727 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -34.422 34.705 -36.135 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -33.583 35.648 -35.300 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -28.898 34.514 -32.353 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -28.478 34.099 -31.600 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -29.831 34.336 -32.236 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -25.572 38.270 -31.499 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -26.086 38.144 -30.702 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -25.727 39.182 -31.744 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -33.470 39.758 -34.632 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -34.112 39.717 -33.923 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -33.433 40.684 -34.870 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -33.473 39.979 -39.720 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -34.366 39.638 -39.779 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -33.022 39.602 -40.476 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -39.112 37.194 -38.915 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -38.481 37.165 -38.195 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -38.662 36.769 -39.645 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -27.669 41.479 -33.418 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -27.345 40.848 -34.061 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -28.109 40.944 -32.757 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -36.063 39.035 -39.807 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -36.952 39.135 -40.147 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -35.767 38.193 -40.153 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -29.571 40.194 -36.747 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -29.007 39.647 -37.294 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -29.719 39.672 -35.958 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -30.945 38.582 -34.333 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -31.780 39.036 -34.223 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -30.421 38.858 -33.581 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -28.881 44.979 -31.411 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -29.227 44.598 -30.605 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -29.081 45.913 -31.340 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -26.631 47.441 -31.461 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -27.532 47.624 -31.729 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -26.597 47.700 -30.540 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -32.901 47.608 -39.474 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -32.374 48.381 -39.675 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -33.781 47.833 -39.776 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -27.415 45.519 -33.882 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -27.841 45.292 -33.056 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -26.834 44.781 -34.065 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -36.983 49.109 -33.571 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -36.766 48.177 -33.602 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -36.736 49.383 -32.687 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -27.899 37.045 -33.116 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -27.201 37.119 -32.466 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -28.280 36.181 -32.961 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -29.379 39.411 -31.999 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -29.260 39.985 -31.242 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -28.724 38.723 -31.884 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -35.991 34.443 -36.709 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -36.220 34.502 -37.636 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -36.434 33.651 -36.402 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -37.772 50.996 -29.218 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -37.232 50.779 -28.459 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -38.253 50.190 -29.408 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -26.598 48.295 -28.869 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -26.949 47.439 -28.626 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -25.872 48.438 -28.262 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -25.475 44.692 -31.448 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -24.730 45.280 -31.568 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -26.232 45.274 -31.385 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -32.334 36.740 -32.895 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -31.798 37.191 -33.547 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -33.186 36.632 -33.317 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -26.336 39.994 -27.627 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -26.144 39.063 -27.738 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -25.479 40.419 -27.637 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -25.020 42.783 -29.549 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -25.301 43.492 -30.127 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -24.077 42.710 -29.700 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -31.528 34.196 -32.463 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -31.626 35.143 -32.569 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -32.271 33.824 -32.939 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -27.548 37.645 -29.824 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -28.496 37.677 -29.692 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -27.236 37.020 -29.170 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -25.914 36.279 -27.819 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -26.011 35.327 -27.825 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -26.236 36.548 -26.958 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -31.306 33.490 -29.792 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -30.594 32.850 -29.806 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -31.407 33.757 -30.706 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -30.953 35.173 -27.738 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -31.084 34.697 -28.559 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -31.552 35.917 -27.794 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -38.319 50.166 -38.197 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -38.653 49.285 -38.025 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -38.097 50.511 -37.333 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -22.756 46.332 -27.657 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -23.622 46.227 -27.263 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -22.380 47.091 -27.210 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -37.420 36.824 -36.714 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -36.975 36.032 -36.412 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -36.954 37.540 -36.283 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -38.839 34.819 -33.246 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -39.504 34.573 -32.603 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -39.282 35.441 -33.823 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -27.037 51.653 -30.640 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -26.360 51.021 -30.880 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -26.715 52.055 -29.832 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -36.291 52.225 -32.796 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -37.011 52.665 -33.247 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -36.657 51.974 -31.947 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -33.824 51.825 -33.766 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -34.689 51.897 -33.362 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -33.879 52.372 -34.550 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -29.113 51.713 -34.590 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -29.570 52.242 -35.244 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -28.950 52.316 -33.865 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -26.786 50.591 -33.645 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -27.690 50.756 -33.911 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -26.357 51.444 -33.711 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -36.876 50.848 -35.885 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -36.895 50.423 -35.028 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -36.071 50.530 -36.294 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -34.735 49.558 -37.230 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -34.954 48.642 -37.061 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -33.911 49.698 -36.764 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -32.198 50.028 -36.382 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -31.985 49.140 -36.669 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -32.133 49.994 -35.427 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -36.405 34.840 -29.898 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -36.771 34.075 -29.455 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -35.492 34.869 -29.611 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -34.432 34.191 -28.362 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -33.533 33.917 -28.547 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -34.818 33.448 -27.898 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -35.983 42.352 -15.589 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -35.941 41.726 -14.865 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -35.280 42.975 -15.407 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -38.449 40.462 -21.661 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -38.897 41.308 -21.679 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -39.010 39.882 -22.176 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -37.739 42.624 -19.535 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -37.525 41.854 -19.008 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -37.001 42.713 -20.138 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -21.299 36.771 -15.915 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -21.250 37.381 -15.179 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -20.873 37.232 -16.638 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -33.666 37.665 -19.176 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -33.623 38.525 -19.594 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -34.124 37.113 -19.809 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -37.046 40.062 -18.414 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -36.392 39.512 -17.982 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -37.022 39.788 -19.330 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -24.180 37.087 -18.794 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -24.395 36.321 -18.262 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -23.524 37.559 -18.281 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -35.262 38.475 -17.149 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -34.649 39.108 -16.776 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -34.750 38.003 -17.806 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -37.758 45.894 -23.245 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -38.030 46.123 -24.134 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -37.713 46.732 -22.785 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -25.881 49.297 -19.907 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -25.456 48.590 -20.392 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -25.564 50.098 -20.324 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -21.194 42.104 -14.855 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -21.846 42.799 -14.766 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -20.729 42.314 -15.665 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -22.588 33.848 -24.699 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -23.487 33.987 -24.404 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -22.336 34.679 -25.101 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -21.398 48.214 -26.322 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -21.325 49.153 -26.152 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -20.493 47.909 -26.379 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -38.429 44.999 -13.910 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -38.930 44.971 -14.725 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -38.423 44.093 -13.600 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -38.678 47.779 -17.026 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -37.732 47.635 -17.045 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -38.791 48.563 -16.489 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -20.481 48.445 -11.344 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -20.530 47.490 -11.381 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -21.307 48.713 -10.942 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -29.088 51.791 -22.662 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -29.163 51.670 -23.608 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -29.055 52.741 -22.543 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -25.986 50.945 -25.659 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -25.611 50.201 -26.130 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -25.982 50.675 -24.741 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -26.317 50.871 -22.910 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -27.252 50.971 -22.731 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -26.037 50.162 -22.332 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -28.898 34.514 -13.497 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -28.478 34.099 -12.744 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -29.831 34.336 -13.380 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -24.809 43.131 -26.882 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -24.767 42.908 -27.812 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -23.960 43.529 -26.692 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -33.470 39.758 -15.776 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -34.112 39.717 -15.067 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -33.433 40.684 -16.014 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -33.473 39.979 -20.864 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -34.366 39.638 -20.923 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -33.022 39.602 -21.620 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -35.720 40.078 -13.909 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -35.758 40.478 -13.041 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -36.211 39.261 -13.819 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -37.837 37.940 -24.635 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -37.363 38.531 -25.220 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -38.555 38.471 -24.288 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -30.891 37.406 -19.778 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -31.802 37.463 -19.489 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -30.386 37.346 -18.967 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -36.063 39.035 -20.951 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -36.952 39.135 -21.291 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -35.767 38.193 -21.297 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -32.410 39.035 -23.295 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -31.478 39.164 -23.117 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -32.625 39.705 -23.944 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -23.199 52.313 -10.237 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -22.999 52.737 -11.072 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -22.543 52.656 -9.630 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -29.571 40.194 -17.891 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -29.007 39.647 -18.438 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -29.719 39.672 -17.102 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -34.569 36.330 -21.473 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -34.886 35.428 -21.508 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -33.788 36.332 -22.025 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -30.945 38.582 -15.477 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -31.780 39.036 -15.367 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -30.421 38.858 -14.725 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -26.503 37.609 -25.593 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -27.441 37.721 -25.744 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -26.206 38.466 -25.287 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -35.276 44.090 -18.023 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -34.531 44.088 -18.624 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -35.198 43.266 -17.541 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -38.268 42.551 -12.708 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -38.045 42.133 -11.876 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -38.870 41.938 -13.130 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -20.900 39.686 -24.238 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -21.454 39.290 -24.910 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -20.799 40.596 -24.515 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -22.604 48.472 -23.773 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -22.977 47.646 -23.463 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -22.327 48.289 -24.670 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -25.212 46.448 -25.952 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -24.859 46.068 -25.148 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -26.161 46.355 -25.866 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -24.756 50.071 -12.557 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -25.358 49.516 -13.052 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -24.475 50.738 -13.183 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -20.708 50.928 -25.751 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -19.965 51.514 -25.891 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -21.403 51.496 -25.418 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -36.983 49.109 -14.715 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -36.766 48.177 -14.746 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -36.736 49.383 -13.831 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -27.115 36.697 -23.163 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -26.895 37.169 -23.966 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -26.557 37.092 -22.492 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -29.446 48.828 -24.300 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -30.263 49.325 -24.247 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -28.917 49.303 -24.940 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -29.031 35.506 -21.390 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -29.378 36.124 -20.745 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -28.373 36.007 -21.871 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -33.374 36.569 -24.702 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -33.457 37.458 -24.356 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -32.484 36.304 -24.471 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -23.486 50.325 -16.590 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -23.642 51.003 -17.247 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -22.554 50.397 -16.387 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -37.772 50.996 -10.362 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -37.232 50.779 -9.603 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -38.253 50.190 -10.552 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -33.175 49.915 -8.742 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -32.407 49.456 -8.401 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -33.196 49.689 -9.672 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -29.083 49.423 -27.367 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -29.727 48.792 -27.045 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -28.321 48.892 -27.599 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -37.865 44.806 -9.408 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -37.721 43.904 -9.694 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -38.638 45.092 -9.896 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -28.172 46.197 -27.540 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -28.440 46.377 -26.639 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -28.378 45.271 -27.671 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -37.033 42.006 -9.988 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -36.625 41.149 -10.109 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -37.293 42.021 -9.067 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -21.914 43.720 -27.262 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -22.187 43.295 -28.075 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -21.874 44.651 -27.479 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -32.746 38.370 -11.531 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -32.596 37.641 -12.134 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -32.744 39.147 -12.090 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -32.334 36.740 -14.039 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -31.798 37.191 -14.691 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -33.186 36.632 -14.461 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -34.268 39.568 -9.620 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -35.035 39.036 -9.830 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -33.589 39.258 -10.219 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -31.306 33.490 -10.936 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -30.594 32.850 -10.950 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -31.407 33.757 -11.850 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -30.953 35.173 -8.882 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -31.084 34.697 -9.703 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -31.552 35.917 -8.938 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -31.406 52.056 -25.706 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -30.473 52.214 -25.562 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -31.670 52.731 -26.331 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -37.838 46.692 -26.223 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -36.924 46.771 -25.950 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -37.831 46.005 -26.890 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -39.189 52.085 -21.146 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -39.836 51.623 -21.679 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -38.834 51.413 -20.563 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -38.319 50.166 -19.341 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -38.653 49.285 -19.169 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -38.097 50.511 -18.477 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -20.770 50.975 -16.361 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -20.792 51.160 -15.422 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -20.080 51.544 -16.702 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -21.207 50.542 -13.439 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -21.694 49.807 -13.810 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -20.658 50.149 -12.761 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -22.815 48.305 -14.208 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -23.463 48.630 -13.583 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -23.333 47.865 -14.883 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -20.793 42.543 -25.072 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -21.314 42.900 -25.791 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -20.826 43.218 -24.394 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -22.444 39.783 -26.521 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -22.347 40.450 -27.201 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -22.584 38.967 -27.003 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -38.239 43.241 -16.890 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -38.055 43.159 -17.825 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -37.390 43.117 -16.466 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -23.196 37.191 -27.404 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -22.586 36.819 -26.767 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -24.033 36.769 -27.208 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -22.950 36.009 -22.389 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -22.768 35.560 -21.564 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -23.550 35.424 -22.853 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -21.084 36.076 -25.861 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -20.671 35.355 -26.337 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -20.402 36.746 -25.803 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -38.803 36.081 -22.734 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -39.728 36.290 -22.864 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -38.349 36.565 -23.424 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -24.032 51.065 -20.789 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -23.379 50.718 -21.397 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -23.521 51.554 -20.143 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -36.647 47.994 -10.246 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -37.468 48.169 -10.706 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -36.899 47.921 -9.325 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -29.382 50.368 -11.028 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -29.197 50.034 -10.150 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -28.535 50.677 -11.350 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -27.037 51.653 -11.784 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -26.360 51.021 -12.024 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -26.715 52.055 -10.976 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -36.291 52.225 -13.940 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -37.011 52.665 -14.391 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -36.657 51.974 -13.091 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -33.824 51.825 -14.910 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -34.689 51.897 -14.506 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -33.879 52.372 -15.694 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -29.113 51.713 -15.734 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -29.570 52.242 -16.388 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -28.950 52.316 -15.009 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -26.786 50.591 -14.789 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -27.690 50.756 -15.055 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -26.357 51.444 -14.855 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -24.181 52.161 -14.494 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -24.363 53.077 -14.705 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -24.005 51.751 -15.341 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -36.876 50.848 -17.029 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -36.895 50.423 -16.172 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -36.071 50.530 -17.438 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -28.689 35.692 -18.381 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -29.364 35.063 -18.126 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -28.125 35.208 -18.984 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -23.547 33.799 -18.269 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -22.943 34.347 -18.770 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -24.416 34.119 -18.509 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -21.820 34.938 -19.935 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -21.208 34.424 -20.462 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -21.437 35.816 -19.912 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -37.526 34.124 -24.756 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -37.087 34.735 -25.347 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -38.160 34.662 -24.282 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -26.226 34.283 -19.097 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -26.150 34.378 -20.046 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -26.502 33.375 -18.968 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -24.873 34.309 -23.404 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -25.576 34.923 -23.614 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -25.318 33.471 -23.273 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -37.625 50.072 -23.858 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -38.310 50.034 -24.526 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -37.622 50.985 -23.570 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -35.665 36.040 -26.313 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -35.174 35.410 -26.841 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -35.042 36.336 -25.650 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -30.639 36.333 -23.856 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -30.461 35.687 -23.173 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -30.693 37.167 -23.389 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -28.761 51.282 -25.461 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -27.895 51.648 -25.639 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -29.008 50.842 -26.274 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -22.052 50.845 -22.781 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -22.246 50.097 -23.346 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -22.091 51.603 -23.365 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -35.807 50.992 -26.833 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -36.075 51.279 -25.960 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -35.036 50.446 -26.681 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -22.834 49.596 -10.631 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -23.616 49.410 -11.151 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -22.906 50.525 -10.414 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -35.983 42.352 3.267 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -35.941 41.726 3.991 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -35.280 42.975 3.449 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -24.645 45.676 -0.024 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -25.086 44.956 0.426 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -24.658 46.397 0.606 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -35.059 46.802 1.802 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -35.429 46.000 1.433 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -34.118 46.633 1.849 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -37.739 42.624 -0.679 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -37.525 41.854 -0.152 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -37.001 42.713 -1.282 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -27.534 50.781 0.188 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -26.914 50.104 -0.085 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -27.742 50.563 1.096 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -29.962 45.170 2.080 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -29.658 44.484 1.486 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -29.240 45.288 2.698 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -26.821 39.564 2.408 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -26.678 38.617 2.428 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -26.927 39.771 1.479 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -33.666 37.665 -0.320 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -33.623 38.525 -0.738 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -34.124 37.113 -0.953 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -34.856 36.583 3.754 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -35.075 37.113 2.988 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -35.524 36.810 4.402 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -32.287 44.259 4.042 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -33.027 44.857 4.145 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -31.573 44.813 3.726 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -35.262 38.475 1.707 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -34.649 39.108 2.080 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -34.750 38.003 1.050 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -33.879 46.223 4.829 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -33.885 47.102 4.451 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -34.733 46.140 5.254 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -37.758 45.894 -4.389 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -38.030 46.123 -5.278 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -37.713 46.732 -3.929 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -24.133 47.516 2.324 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -25.075 47.574 2.485 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -23.857 48.422 2.187 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -23.833 35.802 3.741 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -24.569 36.413 3.703 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -23.149 36.217 3.215 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -25.881 49.297 -1.051 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -25.456 48.590 -1.536 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -25.564 50.098 -1.468 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -21.194 42.104 4.001 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -21.846 42.799 4.090 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -20.729 42.314 3.191 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -25.260 41.110 5.727 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -25.180 41.873 6.299 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -25.861 41.389 5.036 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -32.145 46.994 1.223 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -32.240 46.416 0.466 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -31.416 46.623 1.719 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -33.145 42.335 2.175 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -32.580 42.456 1.412 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -32.826 42.972 2.814 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -26.836 47.838 2.909 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -27.077 48.500 3.557 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -27.034 47.004 3.334 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -28.560 48.835 -2.221 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -28.086 49.130 -1.443 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -29.123 49.573 -2.454 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -34.522 42.636 -3.869 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -34.814 43.404 -4.360 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -35.196 41.976 -4.032 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -29.088 51.791 -3.806 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -29.163 51.670 -4.752 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -29.055 52.741 -3.687 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -35.434 50.580 -2.025 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -35.282 50.232 -1.146 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -36.285 50.224 -2.280 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -25.986 50.945 -6.803 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -25.611 50.201 -7.274 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -25.982 50.675 -5.885 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -26.317 50.871 -4.054 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -27.252 50.971 -3.875 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -26.037 50.162 -3.476 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -23.329 39.938 7.992 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -23.736 40.419 7.272 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -23.288 39.033 7.685 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -33.561 34.792 1.985 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -34.422 34.705 1.577 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -33.583 35.648 2.412 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -28.898 34.514 5.359 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -28.478 34.099 6.112 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -29.831 34.336 5.476 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -25.572 38.270 6.213 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -26.086 38.144 7.010 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -25.727 39.182 5.968 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -33.470 39.758 3.080 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -34.112 39.717 3.789 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -33.433 40.684 2.842 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -33.473 39.979 -2.008 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -34.366 39.638 -2.067 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -33.022 39.602 -2.764 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -32.354 37.452 -8.255 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -32.785 37.007 -7.525 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -33.072 37.824 -8.767 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -27.669 41.479 4.294 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -27.345 40.848 3.651 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -28.109 40.944 4.955 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -36.063 39.035 -2.095 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -36.952 39.135 -2.435 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -35.767 38.193 -2.441 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -32.410 39.035 -4.439 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -31.478 39.164 -4.261 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -32.625 39.705 -5.088 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -33.736 40.230 -6.872 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -34.278 39.850 -7.563 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -32.902 40.424 -7.301 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -29.571 40.194 0.965 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -29.007 39.647 0.418 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -29.719 39.672 1.754 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -34.569 36.330 -2.617 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -34.886 35.428 -2.652 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -33.788 36.332 -3.169 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -30.945 38.582 3.379 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -31.780 39.036 3.489 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -30.421 38.858 4.131 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -23.251 43.928 3.850 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -22.609 44.385 3.307 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -24.081 44.041 3.388 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -28.881 44.979 6.301 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -29.227 44.598 7.107 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -29.081 45.913 6.372 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -35.276 44.090 0.833 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -34.531 44.088 0.232 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -35.198 43.266 1.315 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -25.444 43.280 2.105 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -26.372 43.048 2.078 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -24.993 42.503 1.775 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -37.146 42.470 -7.175 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -36.530 43.097 -6.796 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -38.008 42.786 -6.904 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -32.790 50.293 -2.641 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -33.740 50.398 -2.589 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -32.439 51.113 -2.296 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -27.415 45.519 3.830 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -27.841 45.292 4.656 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -26.834 44.781 3.647 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -20.708 50.928 -6.895 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -19.965 51.514 -7.035 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -21.403 51.496 -6.562 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -35.731 44.383 -5.683 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -36.417 44.735 -5.116 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -35.208 45.146 -5.929 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -27.899 37.045 4.596 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -27.201 37.119 5.246 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -28.280 36.181 4.751 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -29.379 39.411 5.713 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -29.260 39.985 6.470 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -28.724 38.723 5.828 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -32.108 49.871 -5.462 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -31.947 50.671 -5.963 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -32.305 50.178 -4.577 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -33.374 36.569 -5.846 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -33.457 37.458 -5.500 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -32.484 36.304 -5.615 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -23.175 37.318 6.548 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -24.091 37.581 6.460 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -22.839 37.315 5.651 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -35.115 46.997 -6.786 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -34.523 47.696 -6.510 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -34.656 46.564 -7.505 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -36.799 39.661 -7.670 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -36.844 40.600 -7.491 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -37.687 39.425 -7.940 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -35.991 34.443 1.003 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -36.220 34.502 0.076 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -36.434 33.651 1.310 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -37.061 48.383 -2.836 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -37.893 48.856 -2.809 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -36.515 48.893 -3.435 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -32.334 36.740 4.817 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -31.798 37.191 4.165 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -33.186 36.632 4.395 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -30.752 42.179 5.057 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -30.001 42.023 4.484 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -31.091 43.031 4.781 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -31.528 34.196 5.249 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -31.626 35.143 5.143 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -32.271 33.824 4.773 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -27.548 37.645 7.888 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -28.496 37.677 8.020 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -27.236 37.020 8.542 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -31.406 52.056 -6.850 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -30.473 52.214 -6.706 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -31.670 52.731 -7.475 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -37.838 46.692 -7.367 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -36.924 46.771 -7.094 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -37.831 46.005 -8.034 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -21.302 45.427 2.341 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -20.468 45.049 2.060 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -21.190 46.370 2.222 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -22.418 43.133 7.595 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -21.835 42.399 7.786 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -21.854 43.905 7.641 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -20.921 41.036 8.279 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -21.784 40.657 8.114 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -20.317 40.297 8.205 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -22.923 40.064 4.630 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -23.766 40.332 4.996 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -22.480 40.886 4.419 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -20.640 34.044 9.984 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -20.290 33.390 9.378 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -20.493 34.881 9.544 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -24.032 51.065 -1.933 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -23.379 50.718 -2.541 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -23.521 51.554 -1.287 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -22.119 34.243 6.152 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -22.932 34.568 5.764 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -21.886 33.483 5.619 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -34.735 49.558 0.482 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -34.954 48.642 0.651 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -33.911 49.698 0.948 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -32.198 50.028 1.330 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -31.985 49.140 1.043 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -32.133 49.994 2.285 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -23.547 33.799 0.587 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -22.943 34.347 0.086 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -24.416 34.119 0.347 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -36.363 34.326 -1.703 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -37.140 34.092 -2.211 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -35.832 33.529 -1.695 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -35.665 36.040 -7.457 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -35.174 35.410 -7.985 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -35.042 36.336 -6.794 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -28.761 51.282 -6.605 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -27.895 51.648 -6.783 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -29.008 50.842 -7.418 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -22.052 50.845 -3.925 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -22.246 50.097 -4.490 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -22.091 51.603 -4.509 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -35.807 50.992 -7.977 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -36.075 51.279 -7.104 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -35.036 50.446 -7.825 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -22.588 33.848 13.013 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -23.487 33.987 13.308 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -22.336 34.679 12.611 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -20.900 39.686 13.474 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -21.454 39.290 12.802 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -20.799 40.596 13.197 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -22.444 39.783 11.191 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -22.347 40.450 10.511 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -22.584 38.967 10.709 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -23.196 37.191 10.308 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -22.586 36.819 10.945 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -24.033 36.769 10.504 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -21.084 36.076 11.851 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -20.671 35.355 11.375 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -20.402 36.746 11.909 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -34.856 55.439 -33.958 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -35.075 55.969 -34.724 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -35.524 55.666 -33.310 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -30.830 52.745 -36.505 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -30.947 51.796 -36.559 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -31.685 53.077 -36.232 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -33.561 53.648 -35.727 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -34.422 53.561 -36.135 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -33.583 54.504 -35.300 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -28.898 53.370 -32.353 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -28.478 52.955 -31.600 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -29.831 53.192 -32.236 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -35.991 53.299 -36.709 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -36.220 53.358 -37.636 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -36.434 52.507 -36.402 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -32.334 55.596 -32.895 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -31.798 56.047 -33.547 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -33.186 55.488 -33.317 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -31.528 53.052 -32.463 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -31.626 53.999 -32.569 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -32.271 52.680 -32.939 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -30.953 54.029 -27.738 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -31.084 53.553 -28.559 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -31.552 54.773 -27.794 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -36.405 53.696 -29.898 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -36.771 52.931 -29.455 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -35.492 53.725 -29.611 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -34.432 53.047 -28.362 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -33.533 52.773 -28.547 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -34.818 52.304 -27.898 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -26.010 52.379 -28.180 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -25.934 51.953 -27.326 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -25.117 52.393 -28.522 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -33.666 56.521 -19.176 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -33.623 57.381 -19.594 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -34.124 55.969 -19.809 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -34.856 55.439 -15.102 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -35.075 55.969 -15.868 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -35.524 55.666 -14.454 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -30.830 52.745 -17.649 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -30.947 51.796 -17.703 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -31.685 53.077 -17.376 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -33.561 53.648 -16.871 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -34.422 53.561 -17.279 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -33.583 54.504 -16.444 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -28.898 53.370 -13.497 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -28.478 52.955 -12.744 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -29.831 53.192 -13.380 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -30.891 56.262 -19.778 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -31.802 56.319 -19.489 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -30.386 56.202 -18.967 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -34.569 55.186 -21.473 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -34.886 54.284 -21.508 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -33.788 55.188 -22.025 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -29.031 54.362 -21.390 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -29.378 54.980 -20.745 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -28.373 54.863 -21.871 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -33.374 55.425 -24.702 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -33.457 56.314 -24.356 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -32.484 55.160 -24.471 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -35.991 53.299 -17.853 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -36.220 53.358 -18.780 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -36.434 52.507 -17.546 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -31.528 53.052 -13.607 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -31.626 53.999 -13.713 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -32.271 52.680 -14.083 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -31.306 52.346 -10.936 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -30.594 51.706 -10.950 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -31.407 52.613 -11.850 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -37.420 55.680 -17.858 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -36.975 54.888 -17.556 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -36.954 56.396 -17.427 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -38.803 54.937 -22.734 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -39.728 55.146 -22.864 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -38.349 55.421 -23.424 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -28.689 54.548 -18.381 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -29.364 53.919 -18.126 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -28.125 54.064 -18.984 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -23.547 52.655 -18.269 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -22.943 53.203 -18.770 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -24.416 52.975 -18.509 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -36.363 53.182 -20.559 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -37.140 52.948 -21.067 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -35.832 52.385 -20.551 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -37.526 52.980 -24.756 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -37.087 53.591 -25.347 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -38.160 53.518 -24.282 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -31.783 53.109 -20.746 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -30.909 53.497 -20.776 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -31.919 52.894 -19.823 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -26.226 53.139 -19.097 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -26.150 53.234 -20.046 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -26.502 52.231 -18.968 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -35.665 54.896 -26.313 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -35.174 54.266 -26.841 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -35.042 55.192 -25.650 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -30.639 55.189 -23.856 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -30.461 54.543 -23.173 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -30.693 56.023 -23.389 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -26.010 52.379 -9.324 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -25.934 51.953 -8.470 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -25.117 52.393 -9.666 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -22.588 52.704 -5.843 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -23.487 52.843 -5.548 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -22.336 53.535 -6.245 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -24.873 53.165 -4.548 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -25.576 53.779 -4.758 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -25.318 52.327 -4.417 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -3.900 -29.092 10.055 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -4.766 -29.197 10.449 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -3.524 -28.333 10.502 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -8.428 -31.942 17.111 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -8.339 -30.998 16.979 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -9.067 -32.217 16.453 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -9.495 -32.687 20.530 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -9.533 -33.333 21.235 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -9.818 -33.153 19.759 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -16.203 -28.622 20.658 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -16.573 -29.424 20.289 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -15.262 -28.791 20.705 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -11.106 -30.254 20.936 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -10.802 -30.940 20.342 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -10.384 -30.136 21.554 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -8.631 -29.341 16.154 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -8.927 -29.663 15.303 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -8.955 -28.441 16.196 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -13.431 -31.165 22.898 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -14.171 -30.567 23.001 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -12.717 -30.611 22.582 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -15.023 -29.201 23.685 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -15.029 -28.322 23.307 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -15.877 -29.284 24.110 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -4.180 -29.660 24.791 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -4.040 -30.251 24.052 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -4.012 -28.787 24.435 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -2.338 -33.320 22.857 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -2.990 -32.625 22.946 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -1.873 -33.110 22.047 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -6.301 -32.488 15.515 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -7.033 -32.260 16.088 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -5.854 -33.202 15.970 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -13.289 -28.430 20.079 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -13.384 -29.008 19.322 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -12.560 -28.801 20.575 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -13.409 -28.690 25.748 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -13.721 -27.908 26.204 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -14.059 -28.843 25.062 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -2.542 -27.210 11.390 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -2.469 -26.271 11.560 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -1.637 -27.515 11.333 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -1.625 -26.979 26.368 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -1.674 -27.934 26.331 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -2.451 -26.711 26.770 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -10.646 -27.405 25.244 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -10.559 -26.579 25.719 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -11.510 -27.735 25.493 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -10.232 -23.633 15.050 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -10.307 -23.754 14.104 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -10.199 -22.683 15.169 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -16.578 -24.844 16.831 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -16.426 -25.192 17.710 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -17.429 -25.200 16.576 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -7.130 -24.479 12.053 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -6.755 -25.223 11.582 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -7.126 -24.749 12.971 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -7.461 -24.553 14.802 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -8.396 -24.453 14.981 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -7.181 -25.262 15.380 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -4.343 -23.111 27.475 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -4.143 -22.687 26.640 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -3.687 -22.768 28.082 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -11.545 -30.629 13.920 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -12.289 -31.136 13.597 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -11.679 -30.580 14.866 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -4.395 -31.496 22.706 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -3.753 -31.039 22.163 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -5.225 -31.383 22.244 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -10.025 -30.445 25.157 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -10.371 -30.826 25.963 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -10.225 -29.511 25.228 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -9.419 -29.170 12.945 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -9.714 -28.344 13.327 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -10.122 -29.790 13.141 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -7.775 -27.983 25.107 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -8.676 -27.800 24.839 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -7.741 -27.724 26.028 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -2.044 -35.738 13.474 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -2.598 -36.134 12.802 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -1.943 -34.828 13.197 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -2.080 -29.938 26.311 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -2.932 -29.700 25.944 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -1.490 -29.955 25.558 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -3.748 -26.952 13.939 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -4.121 -27.778 14.249 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -3.471 -27.135 13.042 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -6.588 -32.144 20.961 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -7.516 -32.376 20.934 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -6.137 -32.921 20.631 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -14.045 -27.816 17.094 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -13.518 -27.043 16.893 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -14.925 -27.591 16.792 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -12.618 -30.153 16.670 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -12.859 -29.228 16.712 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -13.358 -30.612 17.066 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -13.934 -25.131 16.215 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -14.884 -25.026 16.267 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -13.583 -24.311 16.560 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -8.559 -29.905 22.686 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -8.985 -30.132 23.512 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -7.978 -30.643 22.503 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -6.356 -28.976 11.760 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -6.003 -29.356 12.564 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -7.305 -29.069 11.846 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -5.900 -25.353 25.155 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -6.502 -25.908 24.660 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -5.619 -24.686 24.529 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -1.852 -24.496 11.961 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -1.109 -23.910 11.821 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -2.547 -23.928 12.294 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -5.490 -30.303 13.986 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -5.767 -31.031 14.542 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -4.563 -30.184 14.192 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -10.590 -26.596 13.412 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -11.407 -26.099 13.465 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -10.061 -26.121 12.772 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -13.252 -25.553 13.394 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -13.091 -24.753 12.893 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -13.449 -25.246 14.279 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -5.717 -34.355 19.500 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -6.514 -34.770 19.171 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -5.272 -35.046 19.991 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -7.742 -27.129 27.699 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -8.093 -27.985 27.942 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -7.016 -26.986 28.306 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -6.619 -30.732 25.120 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -5.874 -30.144 25.000 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -7.376 -30.150 25.183 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -3.058 -31.704 10.450 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -3.331 -32.129 9.637 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -3.018 -30.773 10.233 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -3.900 -29.092 28.911 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -4.766 -29.197 29.305 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -3.524 -28.333 29.358 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -1.937 -32.881 12.640 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -2.458 -32.524 11.921 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -1.970 -32.206 13.318 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -4.418 -34.261 16.812 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -4.568 -35.206 16.792 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -4.772 -33.980 17.656 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -3.562 -32.291 26.451 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -2.979 -33.025 26.642 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -2.998 -31.519 26.497 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -4.708 -36.678 15.274 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -4.428 -37.585 15.399 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -3.949 -36.244 14.885 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -4.096 -36.097 20.710 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -3.163 -35.885 20.676 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -4.331 -35.995 21.633 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -4.067 -35.360 23.486 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -4.910 -35.092 23.852 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -3.624 -34.538 23.275 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -14.837 -26.455 23.725 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -15.262 -25.646 23.442 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -13.932 -26.370 23.423 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -10.526 -25.056 26.684 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -10.341 -25.390 27.562 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -9.679 -24.747 26.362 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -8.181 -23.771 25.928 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -7.504 -24.403 25.688 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -7.859 -23.369 26.736 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -14.968 -23.599 22.802 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -15.833 -23.527 23.206 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -15.023 -23.052 22.018 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -18.020 -24.576 20.683 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -18.039 -25.001 21.540 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -17.215 -24.894 20.274 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -15.879 -25.866 19.338 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -16.098 -26.782 19.507 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -15.055 -25.726 19.804 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -9.905 -24.142 12.251 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -9.039 -23.776 12.073 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -10.152 -24.582 11.438 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -3.196 -24.579 14.931 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -3.390 -25.327 14.366 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -3.235 -23.821 14.347 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -3.978 -25.828 27.081 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -4.760 -26.014 26.561 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -4.050 -24.899 27.298 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -16.203 -9.766 20.658 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -16.573 -10.568 20.289 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -15.262 -9.935 20.705 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -19.593 -16.106 16.051 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -20.041 -15.260 16.033 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -20.154 -16.686 15.536 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -18.883 -13.944 18.177 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -18.669 -14.714 18.704 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -18.145 -13.855 17.574 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -14.810 -18.903 18.536 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -14.767 -18.043 18.118 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -15.268 -19.455 17.903 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -18.190 -16.506 19.298 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -17.536 -17.056 19.730 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -18.166 -16.780 18.382 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -2.051 -18.319 24.033 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -2.740 -17.661 23.938 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -2.036 -18.516 24.970 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -16.000 -19.985 22.610 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -16.219 -19.455 21.844 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -16.668 -19.758 23.258 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -8.631 -10.485 16.154 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -8.927 -10.807 15.303 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -8.955 -9.585 16.196 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -16.406 -18.093 20.563 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -15.793 -17.460 20.936 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -15.894 -18.565 19.906 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -15.023 -10.345 23.685 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -15.029 -9.466 23.307 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -15.877 -10.428 24.110 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -7.025 -7.271 17.805 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -6.600 -7.978 17.320 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -6.708 -6.470 17.388 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -5.866 -9.370 16.314 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -6.123 -10.060 15.702 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -5.795 -9.813 17.159 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -9.707 -13.842 14.563 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -10.419 -13.307 14.212 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -9.016 -13.786 13.903 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -7.430 -14.470 13.200 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -6.851 -14.320 13.947 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -7.016 -13.999 12.477 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -16.489 -13.636 24.977 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -16.419 -12.985 25.675 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -17.380 -13.533 24.642 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -9.704 -7.733 16.635 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -9.230 -7.438 17.413 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -10.267 -6.995 16.402 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -15.170 -7.762 26.512 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -15.162 -7.898 25.564 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -16.086 -7.880 26.764 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -3.732 -22.720 13.013 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -4.631 -22.581 13.308 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -3.480 -21.889 12.611 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -15.666 -13.932 14.987 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -15.958 -13.164 14.496 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -16.340 -14.592 14.824 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -19.573 -11.569 23.802 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -20.074 -11.597 22.987 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -19.567 -12.475 24.112 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -19.822 -8.789 20.686 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -18.876 -8.933 20.667 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -19.935 -8.005 21.223 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -1.625 -8.123 26.368 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -1.674 -9.078 26.331 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -2.451 -7.855 26.770 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -16.578 -5.988 16.831 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -16.426 -6.336 17.710 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -17.429 -6.344 16.576 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -7.130 -5.623 12.053 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -6.755 -6.367 11.582 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -7.126 -5.893 12.971 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -7.461 -5.697 14.802 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -8.396 -5.597 14.981 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -7.181 -6.406 15.380 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -17.324 -10.246 24.845 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -17.107 -10.607 25.705 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -18.179 -10.620 24.635 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -14.705 -21.776 20.841 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -15.566 -21.863 20.433 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -14.727 -20.920 21.268 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -14.617 -16.589 16.848 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -15.510 -16.930 16.789 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -14.166 -16.966 16.092 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -9.081 -16.173 15.665 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -9.490 -15.358 15.373 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -8.361 -16.313 15.050 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -16.864 -16.490 23.803 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -16.902 -16.090 24.671 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -17.355 -17.307 23.893 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -12.035 -19.162 17.934 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -12.946 -19.105 18.223 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -11.530 -19.222 18.745 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -17.207 -17.533 16.761 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -18.096 -17.433 16.421 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -16.911 -18.375 16.415 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -13.554 -17.533 14.417 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -12.622 -17.404 14.595 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -13.769 -16.863 13.768 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -4.343 -4.255 27.475 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -4.143 -3.831 26.640 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -3.687 -3.912 28.082 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -16.745 -11.781 27.083 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -16.012 -11.527 27.644 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -17.525 -11.577 27.598 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -15.713 -20.238 16.239 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -16.030 -21.140 16.204 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -14.932 -20.236 15.687 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -11.545 -11.773 13.920 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -12.289 -12.280 13.597 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -11.679 -11.724 14.866 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -7.647 -18.959 12.119 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -8.585 -18.847 11.968 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -7.350 -18.102 12.425 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -6.929 -17.092 13.780 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -6.037 -17.229 14.099 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -6.872 -16.301 13.243 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -9.419 -10.314 12.945 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -9.714 -9.488 13.327 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -10.122 -10.934 13.141 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -19.412 -14.017 25.004 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -19.189 -14.435 25.836 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -20.014 -14.630 24.582 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -12.395 -14.500 27.217 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -12.691 -14.666 26.322 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -11.464 -14.720 27.207 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -2.044 -16.882 13.474 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -2.598 -17.278 12.802 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -1.943 -15.972 13.197 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -2.080 -11.082 26.311 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -2.932 -10.844 25.944 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -1.490 -11.099 25.558 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -14.045 -8.960 17.094 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -13.518 -8.187 16.893 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -14.925 -8.735 16.792 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -12.618 -11.297 16.670 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -12.859 -10.372 16.712 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -13.358 -11.756 17.066 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -13.934 -6.275 16.215 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -14.884 -6.170 16.267 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -13.583 -5.455 16.560 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -17.778 -19.264 24.562 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -18.671 -18.925 24.495 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -17.877 -20.119 24.980 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -5.490 -11.447 13.986 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -5.767 -12.175 14.542 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -4.563 -11.328 14.192 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -18.127 -7.459 22.997 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -17.910 -8.391 22.966 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -17.880 -7.185 23.881 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -8.259 -19.871 14.549 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -8.039 -19.399 13.746 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -7.701 -19.476 15.220 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -10.590 -7.740 13.412 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -11.407 -7.243 13.465 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -10.061 -7.265 12.772 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -11.059 -18.143 15.384 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -10.247 -17.639 15.430 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -11.304 -18.288 16.298 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -10.175 -21.062 16.322 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -10.522 -20.444 16.967 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -9.517 -20.561 15.841 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -13.252 -6.697 13.394 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -13.091 -5.897 12.893 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -13.449 -6.390 14.279 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -4.630 -6.243 21.122 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -4.786 -5.565 20.465 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -3.698 -6.171 21.325 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -17.135 -22.125 19.859 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -17.364 -22.066 18.932 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -17.578 -22.917 20.166 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -18.205 -8.185 16.020 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -19.037 -7.712 16.047 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -17.659 -7.675 15.421 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -18.916 -5.572 27.350 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.376 -5.789 28.109 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -19.397 -6.378 27.160 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -14.319 -6.653 28.970 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -13.551 -7.112 29.311 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -14.340 -6.879 28.040 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -13.519 -13.446 12.742 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -13.978 -13.930 13.428 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -13.264 -14.114 12.106 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -14.230 -15.553 25.098 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -14.848 -14.878 25.379 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -13.886 -15.232 24.265 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -9.210 -13.082 28.376 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -8.257 -12.998 28.348 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -9.370 -13.793 28.995 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -13.890 -18.198 26.181 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -13.740 -18.927 25.578 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -13.888 -17.421 25.622 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -13.478 -19.828 23.673 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -12.942 -19.377 23.021 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -14.330 -19.936 23.251 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -7.480 -16.574 28.941 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -7.288 -17.505 28.830 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -6.623 -16.149 28.931 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -12.672 -22.372 24.105 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -12.770 -21.425 23.999 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -13.415 -22.744 23.629 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -11.408 -18.050 27.668 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -11.644 -18.270 28.570 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -12.191 -18.257 27.159 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -8.692 -18.923 26.744 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -9.640 -18.891 26.876 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -8.380 -19.548 27.398 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -7.058 -20.289 28.749 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -7.155 -21.241 28.743 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -7.380 -20.020 29.610 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -12.450 -23.078 26.776 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -11.738 -23.718 26.762 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -12.551 -22.811 25.862 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -12.550 -4.512 12.006 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -11.617 -4.354 12.150 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -12.814 -3.837 11.381 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.333 -4.483 16.566 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -20.980 -4.945 16.033 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -19.978 -5.155 17.149 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -19.463 -6.402 18.371 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -19.797 -7.283 18.543 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -19.241 -6.057 19.235 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -1.914 -5.593 21.351 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -1.936 -5.408 22.290 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -1.224 -5.024 21.010 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -2.351 -6.026 24.273 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -2.838 -6.761 23.902 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -1.802 -6.419 24.951 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -3.900 -10.236 28.911 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -4.766 -10.341 29.305 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -3.524 -9.477 29.358 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -2.599 -11.979 14.425 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -1.749 -11.558 14.553 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -2.594 -12.719 15.033 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -2.205 -13.926 16.249 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -2.931 -14.405 16.647 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -1.624 -13.720 16.981 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -2.446 -11.141 21.197 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -1.612 -11.519 20.916 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -2.334 -10.198 21.078 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -3.959 -8.263 23.504 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -4.607 -7.938 24.129 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -4.477 -8.703 22.829 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -1.937 -14.025 12.640 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -2.458 -13.668 11.921 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -1.970 -13.350 13.318 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -19.383 -13.327 20.822 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -19.199 -13.409 19.887 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -18.534 -13.451 21.246 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -4.708 -17.822 15.274 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -4.428 -18.729 15.399 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -3.949 -17.388 14.885 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -4.094 -20.559 15.323 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -3.912 -21.008 16.148 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -4.694 -21.144 14.859 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -18.564 -19.744 19.854 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -18.119 -20.536 20.156 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -18.098 -19.028 20.285 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -20.260 -16.745 20.923 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -19.768 -16.966 20.133 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -19.898 -15.904 21.204 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -2.264 -20.415 27.189 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -3.181 -20.144 27.153 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -2.141 -20.950 26.405 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -5.176 -5.503 16.923 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -4.523 -5.850 16.315 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -4.665 -5.014 17.569 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -17.791 -8.574 27.466 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -18.612 -8.399 27.006 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -18.043 -8.647 28.387 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -3.263 -22.325 25.008 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -4.076 -22.000 24.620 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -3.030 -23.085 24.475 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -5.325 -4.407 23.218 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -5.507 -3.491 23.007 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -5.149 -4.817 22.371 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -15.879 -7.010 19.338 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -16.098 -7.926 19.507 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -15.055 -6.870 19.804 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -12.927 -22.315 16.966 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -12.053 -21.927 16.936 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -13.063 -22.530 17.889 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -6.017 -22.259 14.308 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -6.720 -21.645 14.098 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -6.462 -23.097 14.439 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -11.783 -20.235 13.856 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -11.605 -20.881 14.539 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -11.837 -19.401 14.323 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -9.905 -5.286 12.251 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -9.039 -4.920 12.073 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -10.152 -5.726 11.438 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -7.154 -23.045 28.388 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -7.078 -23.471 29.242 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -6.261 -23.031 28.046 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -3.978 -6.972 27.081 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -4.760 -7.158 26.561 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -4.050 -6.043 27.298 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -9.653 -15.384 30.458 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -8.952 -15.362 31.109 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -9.351 -16.012 29.802 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -7.430 -14.470 32.056 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -6.851 -14.320 32.803 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -7.016 -13.999 31.333 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -9.704 -7.733 35.491 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -9.230 -7.438 36.269 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -10.267 -6.995 35.258 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -10.232 -4.777 33.906 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -10.307 -4.898 32.960 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -10.199 -3.827 34.025 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -7.130 -5.623 30.909 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -6.755 -6.367 30.438 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -7.126 -5.893 31.827 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -7.461 -5.697 33.658 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -8.396 -5.597 33.837 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -7.181 -6.406 34.236 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -5.953 -13.437 29.686 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -5.911 -13.660 28.756 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -5.104 -13.039 29.876 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -10.380 -19.561 30.356 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -10.634 -19.542 31.279 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -10.637 -20.433 30.055 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -11.545 -11.773 32.776 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -12.289 -12.280 32.453 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -11.679 -11.724 33.722 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -7.647 -18.959 30.975 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -8.585 -18.847 30.824 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -7.350 -18.102 31.281 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -9.419 -10.314 31.801 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -9.714 -9.488 32.183 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -10.122 -10.934 31.997 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -6.356 -10.120 30.616 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -6.003 -10.500 31.420 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -7.305 -10.213 30.702 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -13.328 -9.438 31.519 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -13.181 -9.958 32.309 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -13.331 -8.531 31.825 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -10.590 -7.740 32.268 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -11.407 -7.243 32.321 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -10.061 -7.265 31.628 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -13.252 -6.697 32.250 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -13.091 -5.897 31.749 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -13.449 -6.390 33.135 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -16.259 -9.571 30.926 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -15.667 -8.872 31.202 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -15.800 -10.004 30.207 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -5.623 -7.328 29.435 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -5.340 -8.122 29.888 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -4.883 -7.095 28.874 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -14.668 -11.418 29.292 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -14.604 -12.212 29.823 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -14.015 -11.537 28.603 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -13.519 -13.446 31.598 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -13.978 -13.930 32.284 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -13.264 -14.114 30.962 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -12.448 -15.203 29.861 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -12.628 -15.357 28.933 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -11.497 -15.095 29.905 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -3.058 -12.848 29.306 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -3.331 -13.273 28.493 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -3.018 -11.917 29.089 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -12.550 -4.512 30.862 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -11.617 -4.354 31.006 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -12.814 -3.837 30.237 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -1.937 -14.025 31.496 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -2.458 -13.668 30.777 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -1.970 -13.350 32.174 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -3.588 -16.785 30.047 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -3.491 -16.118 29.367 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -3.728 -17.601 29.565 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -4.340 -19.377 29.164 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -3.730 -19.749 29.801 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -5.177 -19.799 29.360 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -9.905 -5.286 31.107 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -9.039 -4.920 30.929 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -10.152 -5.726 30.294 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -16.951 -5.576 29.735 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -17.219 -5.289 30.608 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -16.180 -6.122 29.887 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -4.343 14.601 -10.237 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -4.143 15.025 -11.072 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -3.687 14.944 -9.630 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -5.789 7.964 -0.024 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -6.230 7.244 0.426 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -5.802 8.685 0.606 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -8.631 8.371 -2.702 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -8.927 8.049 -3.553 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -8.955 9.271 -2.660 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -5.277 9.804 2.324 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -6.219 9.862 2.485 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -5.001 10.710 2.187 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -7.025 11.585 -1.051 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -6.600 10.878 -1.536 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -6.708 12.386 -1.468 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -5.866 9.486 -2.542 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -6.123 8.796 -3.154 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -5.795 9.043 -1.697 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -7.980 10.126 2.909 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -8.221 10.788 3.557 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -8.178 9.292 3.334 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -9.704 11.123 -2.221 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -9.230 11.418 -1.443 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -10.267 11.861 -2.454 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -10.232 14.079 -3.806 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -10.307 13.958 -4.752 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -10.199 15.029 -3.687 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -16.578 12.868 -2.025 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -16.426 12.520 -1.146 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -17.429 12.512 -2.280 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -7.130 13.233 -6.803 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -6.755 12.489 -7.274 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -7.126 12.963 -5.885 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -7.461 13.159 -4.054 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -8.396 13.259 -3.875 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -7.181 12.450 -3.476 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -4.343 14.601 8.619 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -4.143 15.025 7.784 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -3.687 14.944 9.226 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -3.748 10.760 -4.917 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -4.121 9.934 -4.607 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -3.471 10.577 -5.814 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -14.045 9.896 -1.762 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -13.518 10.669 -1.963 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -14.925 10.121 -2.064 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -12.103 11.708 4.129 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -11.740 12.563 3.896 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -11.571 11.416 4.870 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -13.934 12.581 -2.641 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -14.884 12.686 -2.589 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -13.583 13.401 -2.296 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -5.900 12.359 6.299 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -6.502 11.804 5.804 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -5.619 13.026 5.673 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -18.127 11.397 4.141 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -17.910 10.465 4.110 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -17.880 11.671 5.025 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -10.590 11.116 -5.444 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -11.407 11.613 -5.391 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -10.061 11.591 -6.084 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -13.252 12.159 -5.462 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -13.091 12.959 -5.963 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -13.449 12.466 -4.577 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -4.630 12.613 2.266 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -4.786 13.291 1.609 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -3.698 12.685 2.469 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -18.916 13.284 8.494 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -18.376 13.067 9.253 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -19.397 12.478 8.304 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -14.319 12.203 10.114 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -13.551 11.744 10.455 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -14.340 11.977 9.184 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -12.550 14.344 -6.850 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -11.617 14.502 -6.706 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -12.814 15.019 -7.475 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -20.333 14.373 -2.290 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -20.980 13.911 -2.823 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -19.978 13.701 -1.707 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -19.463 12.454 -0.485 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -19.797 11.573 -0.313 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -19.241 12.799 0.379 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -1.914 13.263 2.495 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -1.936 13.448 3.434 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -1.224 13.832 2.154 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -2.351 12.830 5.417 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -2.838 12.095 5.046 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -1.802 12.437 6.095 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -3.959 10.593 4.648 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -4.607 10.918 5.273 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -4.477 10.153 3.973 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -14.837 11.257 4.869 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -15.262 12.066 4.586 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -13.932 11.342 4.567 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -10.526 12.656 7.828 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -10.341 12.322 8.706 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -9.679 12.965 7.506 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -8.181 13.941 7.072 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -7.504 13.309 6.832 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -7.859 14.343 7.880 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -17.435 14.513 4.916 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -18.155 14.953 4.465 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -17.801 14.262 5.765 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -14.968 14.113 3.946 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -15.833 14.185 4.350 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -15.023 14.660 3.162 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -7.930 12.879 4.067 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -8.834 13.044 3.801 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -7.501 13.732 4.001 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -5.325 14.449 4.362 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -5.507 15.365 4.151 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -5.149 14.039 3.515 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -18.020 13.136 1.827 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -18.039 12.711 2.684 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -17.215 12.818 1.418 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -15.879 11.846 0.482 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -16.098 10.930 0.651 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -15.055 11.986 0.948 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -13.342 12.316 1.330 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -13.129 11.428 1.043 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -13.277 12.282 2.285 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -18.769 12.360 -5.002 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -19.454 12.322 -5.670 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -18.766 13.273 -4.714 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -9.905 13.570 -6.605 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -9.039 13.936 -6.783 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -10.152 13.130 -7.418 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -3.196 13.133 -3.925 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -3.390 12.385 -4.490 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -3.235 13.891 -4.509 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -5.789 7.964 18.832 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -6.230 7.244 19.282 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -5.802 8.685 19.462 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -19.593 2.750 16.051 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -20.041 3.596 16.033 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -20.154 2.170 15.536 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -18.883 4.912 18.177 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -18.669 4.142 18.704 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -18.145 5.001 17.574 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -8.678 13.069 19.044 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -8.058 12.392 18.771 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -8.886 12.851 19.952 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -7.088 0.084 16.937 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -6.442 -0.245 17.562 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -6.578 0.602 16.314 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -5.324 -0.625 18.918 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -5.539 -1.391 19.450 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -4.668 -0.153 19.431 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -18.902 8.182 14.467 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -19.174 8.411 13.578 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -18.857 9.020 14.927 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -5.277 9.804 21.180 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -6.219 9.862 21.341 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -5.001 10.710 21.043 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -4.977 -1.910 22.597 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -5.713 -1.299 22.559 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -4.293 -1.495 22.071 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -7.025 11.585 17.805 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -6.600 10.878 17.320 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -6.708 12.386 17.388 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -5.866 9.486 16.314 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -6.123 8.796 15.702 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -5.795 9.043 17.159 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -4.180 8.052 24.791 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -4.040 7.461 24.052 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -4.012 8.925 24.435 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -9.707 5.014 14.563 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -10.419 5.549 14.212 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -9.016 5.070 13.903 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -2.338 4.392 22.857 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -2.990 5.087 22.946 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -1.873 4.602 22.047 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -6.301 5.224 15.515 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -7.033 5.452 16.088 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -5.854 4.510 15.970 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -6.404 3.398 24.583 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -6.324 4.161 25.155 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -7.005 3.677 23.892 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -7.980 10.126 21.765 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -8.221 10.788 22.413 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -8.178 9.292 22.190 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -7.430 4.386 13.200 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -6.851 4.536 13.947 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -7.016 4.857 12.477 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -9.704 11.123 16.635 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -9.230 11.418 17.413 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -10.267 11.861 16.402 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -15.170 11.094 26.512 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -15.162 10.958 25.564 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -16.086 10.976 26.764 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -15.666 4.924 14.987 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -15.958 5.692 14.496 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -16.340 4.264 14.824 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -10.646 10.307 25.244 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -10.559 11.133 25.719 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -11.510 9.977 25.493 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -10.232 14.079 15.050 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -10.307 13.958 14.104 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -10.199 15.029 15.169 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -7.461 13.159 14.802 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -8.396 13.259 14.981 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -7.181 12.450 15.380 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -4.473 2.226 26.848 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -4.880 2.707 26.128 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -4.432 1.321 26.541 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -6.716 0.558 25.069 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -7.230 0.432 25.866 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -6.871 1.470 24.824 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -10.380 -0.705 11.500 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -10.634 -0.686 12.423 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -10.637 -1.577 11.199 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -14.617 2.267 16.848 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -15.510 1.926 16.789 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -14.166 1.890 16.092 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -9.081 2.683 15.665 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -9.490 3.498 15.373 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -8.361 2.543 15.050 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -9.979 2.858 27.153 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -10.542 2.154 27.473 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -9.153 2.738 27.620 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -20.256 -0.518 17.653 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -19.625 -0.547 18.373 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -19.806 -0.943 16.923 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -17.207 1.323 16.761 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -18.096 1.423 16.421 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -16.911 0.481 16.415 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -13.554 1.323 14.417 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -12.622 1.452 14.595 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -13.769 1.993 13.768 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -7.630 -1.071 21.198 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -8.307 -0.940 21.862 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -8.116 -1.226 20.388 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -16.745 7.075 27.083 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -16.012 7.329 27.644 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -17.525 7.279 27.598 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -15.713 -1.382 16.239 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -16.030 -2.284 16.204 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -14.932 -1.380 15.687 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -11.545 7.083 13.920 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -12.289 6.576 13.597 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -11.679 7.132 14.866 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -4.395 6.216 22.706 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -3.753 6.673 22.163 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -5.225 6.329 22.244 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -7.647 -0.103 12.119 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -8.585 0.009 11.968 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -7.350 0.754 12.425 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -10.025 7.267 25.157 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -10.371 6.886 25.963 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -10.225 8.201 25.228 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -6.929 1.764 13.780 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -6.037 1.627 14.099 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -6.872 2.555 13.243 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -9.419 8.542 12.945 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -9.714 9.368 13.327 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -10.122 7.922 13.141 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -12.395 4.356 27.217 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -12.691 4.190 26.322 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -11.464 4.136 27.207 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -7.775 9.729 25.107 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -8.676 9.912 24.839 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -7.741 9.988 26.028 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -8.559 7.807 22.686 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -8.985 7.580 23.512 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -7.978 7.069 22.503 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -5.490 7.409 13.986 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -5.767 6.681 14.542 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -4.563 7.528 14.192 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -13.328 9.418 12.663 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -13.181 8.898 13.453 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -13.331 10.325 12.969 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -16.875 6.671 13.173 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -17.561 7.023 13.740 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -16.352 7.434 12.927 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -8.259 -1.015 14.549 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -8.039 -0.543 13.746 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -7.701 -0.620 15.220 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -10.590 11.116 13.412 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -11.407 11.613 13.465 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -10.061 11.591 12.772 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -11.059 0.713 15.384 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -10.247 1.217 15.430 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -11.304 0.568 16.298 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -13.252 12.159 13.394 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -13.091 12.959 12.893 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -13.449 12.466 14.279 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -14.518 -1.143 13.010 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -14.601 -0.254 13.356 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -13.628 -1.408 13.241 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -4.319 -0.394 25.404 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -5.235 -0.131 25.316 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -3.983 -0.397 24.507 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -5.717 3.357 19.500 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -6.514 2.942 19.171 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -5.272 2.666 19.991 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -16.259 9.285 12.070 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -15.667 9.984 12.346 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -15.800 8.852 11.351 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -18.916 13.284 27.350 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -18.376 13.067 28.109 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -19.397 12.478 27.160 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -14.319 12.203 28.970 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -13.551 11.744 29.311 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -14.340 11.977 28.040 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -19.009 7.094 28.304 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -18.865 6.192 28.018 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -19.782 7.380 27.816 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -12.354 7.064 27.737 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -12.682 7.335 26.879 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -12.202 6.123 27.649 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -6.619 6.980 25.120 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -5.874 7.568 25.000 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -7.376 7.562 25.183 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -18.177 4.294 27.724 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -17.769 3.437 27.603 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -18.437 4.309 28.645 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -13.519 5.410 12.742 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -13.978 4.926 13.428 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -13.264 4.742 12.106 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -9.210 5.774 28.376 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -8.257 5.858 28.348 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -9.370 5.063 28.995 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -7.480 2.282 28.941 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -7.288 1.351 28.830 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -6.623 2.707 28.931 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -6.164 5.071 27.019 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -6.445 5.780 26.441 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -5.221 4.998 26.868 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -15.412 1.856 28.092 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -16.179 1.324 27.882 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -14.733 1.546 27.493 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -11.408 0.806 27.668 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -11.644 0.586 28.570 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -12.191 0.599 27.159 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -7.058 -1.433 28.749 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -7.155 -2.385 28.743 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -7.380 -1.164 29.610 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -17.231 -0.223 27.797 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -17.020 -0.930 27.186 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -17.343 -0.661 28.641 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -12.550 14.344 12.006 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -11.617 14.502 12.150 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -12.814 15.019 11.381 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -4.418 3.451 16.812 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -4.568 2.506 16.792 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -4.772 3.732 17.656 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -4.708 1.034 15.274 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -4.428 0.127 15.399 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -3.949 1.468 14.885 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -4.096 1.615 20.710 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -3.163 1.827 20.676 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -4.331 1.717 21.633 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -4.067 2.352 23.486 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -4.910 2.620 23.852 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -3.624 3.174 23.275 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -19.785 0.800 26.963 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -18.866 0.678 27.199 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -20.235 0.050 27.352 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -4.094 -1.703 15.323 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -3.912 -2.152 16.148 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -4.694 -2.288 14.859 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -20.260 2.111 20.923 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -19.768 1.890 20.133 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -19.898 2.952 21.204 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -19.947 -1.631 14.978 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -20.872 -1.422 14.848 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -19.493 -1.147 14.288 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -17.791 10.282 27.466 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -18.612 10.457 27.006 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -18.043 10.209 28.387 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -10.526 12.656 26.684 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -10.341 12.322 27.562 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -9.679 12.965 26.362 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -3.263 -3.469 25.008 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -4.076 -3.144 24.620 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -3.030 -4.229 24.475 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -10.257 14.001 21.978 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -10.714 14.530 21.324 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -10.094 14.604 22.703 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -7.930 12.879 22.923 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -8.834 13.044 22.657 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -7.501 13.732 22.857 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -4.691 -3.913 19.443 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -4.087 -3.365 18.942 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -5.560 -3.593 19.203 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -2.964 -2.774 17.777 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -2.352 -3.288 17.250 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -2.581 -1.896 17.800 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -17.507 -3.386 17.153 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -18.284 -3.620 16.645 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -16.976 -4.183 17.161 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -6.017 -3.403 14.308 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -6.720 -2.789 14.098 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -6.462 -4.241 14.439 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -11.783 -1.379 13.856 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -11.605 -2.025 14.539 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -11.837 -0.545 14.323 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -9.905 13.570 12.251 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -9.039 13.936 12.073 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -10.152 13.130 11.438 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -15.576 -3.521 28.206 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -14.677 -3.795 28.021 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -15.962 -4.264 28.670 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -16.951 13.280 10.879 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -17.219 13.567 11.752 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -16.180 12.734 11.031 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -9.653 3.472 30.458 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -8.952 3.494 31.109 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -9.351 2.844 29.802 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -10.380 -0.705 30.356 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -10.634 -0.686 31.279 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -10.637 -1.577 30.055 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -13.498 -0.260 29.457 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -13.929 -0.705 30.187 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -14.216 0.112 28.945 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -14.880 2.518 30.840 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -15.422 2.138 30.149 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -14.046 2.712 30.411 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -7.647 -0.103 30.975 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -8.585 0.009 30.824 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -7.350 0.754 31.281 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -12.265 9.848 29.063 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -12.026 9.100 28.515 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -12.534 9.460 29.895 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -14.518 -1.143 31.866 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -14.601 -0.254 32.212 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -13.628 -1.408 32.097 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -17.943 1.949 30.042 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -17.988 2.888 30.221 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -18.831 1.713 29.772 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -14.668 7.438 29.292 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -14.604 6.644 29.823 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -14.015 7.319 28.603 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -12.448 3.653 29.861 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -12.628 3.499 28.933 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -11.497 3.761 29.905 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -18.982 8.980 30.345 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -18.068 9.059 30.618 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -18.975 8.293 29.678 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -4.340 -0.521 29.164 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -3.730 -0.893 29.801 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -5.177 -0.943 29.360 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -6.017 -3.403 33.164 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -6.720 -2.789 32.954 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -6.462 -4.241 33.295 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -16.809 -1.672 30.255 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -16.318 -2.302 29.727 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -16.186 -1.376 30.918 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -11.783 -1.379 32.712 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -11.605 -2.025 33.395 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -11.837 -0.545 33.179 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -16.951 13.280 29.735 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -17.219 13.567 30.608 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -16.180 12.734 29.887 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -9.495 23.881 -17.182 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -9.533 23.235 -16.477 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -9.818 23.415 -17.953 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -17.127 23.496 -15.589 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -17.085 22.870 -14.865 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -16.424 24.119 -15.407 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -5.789 26.820 -18.880 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -6.230 26.100 -18.430 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -5.802 27.541 -18.250 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -16.203 27.946 -17.054 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -16.573 27.144 -17.423 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -15.262 27.777 -17.007 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -8.678 31.925 -18.668 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -8.058 31.248 -18.941 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -8.886 31.707 -17.760 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -11.106 26.314 -16.776 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -10.802 25.628 -17.370 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -10.384 26.432 -16.158 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -2.443 17.915 -15.915 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -2.394 18.525 -15.179 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -2.017 18.376 -16.638 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -7.965 20.708 -16.448 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -7.822 19.761 -16.428 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -8.071 20.915 -17.377 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -2.051 19.393 -13.679 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -2.740 20.051 -13.774 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -2.036 19.196 -12.742 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -13.431 25.403 -14.814 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -14.171 26.001 -14.711 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -12.717 25.957 -15.130 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -15.023 27.367 -14.027 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -15.029 28.246 -14.405 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -15.877 27.284 -13.602 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -5.277 28.660 -16.532 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -6.219 28.718 -16.371 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -5.001 29.566 -16.669 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -6.404 22.254 -13.129 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -6.324 23.017 -12.557 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -7.005 22.533 -13.820 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -7.980 28.982 -15.947 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -8.221 29.644 -15.299 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -8.178 28.148 -15.522 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -16.489 24.076 -12.735 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -16.419 24.727 -12.037 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -17.380 24.179 -13.070 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -19.573 26.143 -13.910 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -20.074 26.115 -14.725 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -19.567 25.237 -13.600 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -19.822 28.923 -17.026 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -18.876 28.779 -17.045 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -19.935 29.707 -16.489 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -6.716 19.414 -12.643 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -7.230 19.288 -11.846 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -6.871 20.326 -12.888 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -16.864 21.222 -13.909 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -16.902 21.622 -13.041 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -17.355 20.405 -13.819 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -8.813 22.623 -14.562 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -8.489 21.992 -15.205 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -9.253 22.088 -13.901 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -4.343 33.457 -10.237 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -4.143 33.881 -11.072 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -3.687 33.800 -9.630 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -19.412 23.695 -12.708 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -19.189 23.277 -11.876 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -20.014 23.082 -13.130 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -12.395 23.212 -10.495 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -12.691 23.046 -11.390 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -11.464 22.992 -10.505 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -6.588 24.424 -16.751 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -7.516 24.192 -16.778 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -6.137 23.647 -17.081 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -12.103 30.564 -14.727 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -11.740 31.419 -14.960 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -11.571 30.272 -13.986 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -8.559 26.663 -15.026 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -8.985 26.436 -14.200 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -7.978 25.925 -15.209 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -17.778 18.448 -13.150 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -18.671 18.787 -13.217 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -17.877 17.593 -12.732 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -18.127 30.253 -14.715 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -17.910 29.321 -14.746 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -17.880 30.527 -13.831 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -9.043 18.189 -14.260 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -8.345 18.263 -13.610 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -9.424 17.325 -14.105 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -10.523 20.555 -13.143 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -10.404 21.129 -12.386 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -9.868 19.867 -13.028 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -4.319 18.462 -12.308 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -5.235 18.725 -12.396 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -3.983 18.459 -13.205 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -5.717 22.213 -18.212 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -6.514 21.798 -18.541 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -5.272 21.522 -17.721 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -4.630 31.469 -16.590 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -4.786 32.147 -17.247 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -3.698 31.541 -16.387 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -14.230 22.159 -12.614 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -14.848 22.834 -12.333 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -13.886 22.480 -13.447 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -13.890 19.514 -11.531 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -13.740 18.785 -12.134 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -13.888 20.291 -12.090 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -11.896 23.323 -13.799 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -11.145 23.167 -14.372 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -12.235 24.175 -14.075 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -15.412 20.712 -9.620 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -16.179 20.180 -9.830 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -14.733 20.402 -10.219 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -11.408 19.662 -10.044 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -11.644 19.442 -9.142 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -12.191 19.455 -10.553 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -8.692 18.789 -10.968 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -9.640 18.821 -10.836 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -8.380 18.164 -10.314 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -17.231 18.633 -9.915 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -17.020 17.926 -10.526 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -17.343 18.195 -9.071 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -12.097 16.317 -8.882 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -12.228 15.841 -9.703 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -12.696 17.061 -8.938 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -19.463 31.310 -19.341 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -19.797 30.429 -19.169 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -19.241 31.655 -18.477 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -1.914 32.119 -16.361 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -1.936 32.304 -15.422 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -1.224 32.688 -16.702 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -2.351 31.686 -13.439 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -2.838 30.951 -13.810 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -1.802 31.293 -12.761 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -3.959 29.449 -14.208 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -4.607 29.774 -13.583 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -4.477 29.009 -14.883 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -19.383 24.385 -16.890 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -19.199 24.303 -17.825 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -18.534 24.261 -16.466 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -4.096 20.471 -17.002 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -3.163 20.683 -17.036 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -4.331 20.573 -16.079 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -19.785 19.656 -10.749 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -18.866 19.534 -10.513 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -20.235 18.906 -10.360 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -1.784 15.188 -8.872 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -1.434 14.534 -9.478 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -1.637 16.025 -9.312 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -2.264 17.297 -10.523 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -3.181 17.568 -10.559 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -2.141 16.762 -11.307 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -14.837 30.113 -13.987 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -15.262 30.922 -14.270 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -13.932 30.198 -14.289 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -3.263 15.387 -12.704 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -4.076 15.712 -13.092 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -3.030 14.627 -13.237 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -10.257 32.857 -15.734 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -10.714 33.386 -16.388 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -10.094 33.460 -15.009 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -18.020 31.992 -17.029 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -18.039 31.567 -16.172 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -17.215 31.674 -17.438 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -15.879 30.702 -18.374 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -16.098 29.786 -18.205 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -15.055 30.842 -17.908 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -13.342 31.172 -17.526 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -13.129 30.284 -17.813 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -13.277 31.138 -16.571 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -15.576 15.335 -9.506 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -14.677 15.061 -9.691 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -15.962 14.592 -9.042 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -7.154 14.667 -9.324 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -7.078 14.241 -8.470 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -6.261 14.681 -9.666 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -3.978 30.740 -10.631 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -4.760 30.554 -11.151 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -4.050 31.669 -10.414 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -2.443 17.915 2.941 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -2.394 18.525 3.677 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -2.017 18.376 2.218 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -2.051 19.393 5.177 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -2.740 20.051 5.082 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -2.036 19.196 6.114 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -3.732 14.992 -5.843 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -4.631 15.131 -5.548 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -3.480 15.823 -6.245 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -4.473 21.082 7.992 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -4.880 21.563 7.272 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -4.432 20.177 7.685 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -6.716 19.414 6.213 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -7.230 19.288 7.010 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -6.871 20.326 5.968 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -9.979 21.714 8.297 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -10.542 21.010 8.617 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -9.153 21.594 8.764 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -13.498 18.596 -8.255 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -13.929 18.151 -7.525 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -14.216 18.968 -8.767 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -18.981 19.084 -5.779 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -18.507 19.675 -6.364 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -19.699 19.615 -5.432 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -12.395 23.212 8.361 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -12.691 23.046 7.466 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -11.464 22.992 8.351 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -4.319 18.462 6.548 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -5.235 18.725 6.460 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -3.983 18.459 5.651 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -14.230 22.159 6.242 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -14.848 22.834 6.523 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -13.886 22.480 5.409 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -13.890 19.514 7.325 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -13.740 18.785 6.722 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -13.888 20.291 6.766 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -7.480 21.138 10.085 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -7.288 20.207 9.974 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -6.623 21.563 10.075 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -15.412 20.712 9.236 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -16.179 20.180 9.026 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -14.733 20.402 8.637 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -12.672 15.340 5.249 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -12.770 16.287 5.143 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -13.415 14.968 4.773 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -11.408 19.662 8.812 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -11.644 19.442 9.714 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -12.191 19.455 8.303 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -8.692 18.789 7.888 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -9.640 18.821 8.020 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -8.380 18.164 8.542 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -7.058 17.423 9.893 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -7.155 16.471 9.887 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -7.380 17.692 10.754 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -17.231 18.633 8.941 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -17.020 17.926 8.330 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -17.343 18.195 9.785 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -12.450 14.634 7.920 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -11.738 13.994 7.906 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -12.551 14.901 7.006 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -3.900 27.476 10.055 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -4.766 27.371 10.449 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -3.524 28.235 10.502 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -2.065 22.180 8.279 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -2.928 21.801 8.114 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -1.461 21.441 8.205 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -4.067 21.208 4.630 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -4.910 21.476 4.996 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -3.624 22.030 4.419 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -4.094 17.153 -3.533 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -3.912 16.704 -2.708 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -4.694 16.568 -3.997 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -2.228 17.220 -7.005 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -1.815 16.499 -7.481 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -1.546 17.890 -6.947 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -3.263 15.387 6.152 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -4.076 15.712 5.764 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -3.030 14.627 5.619 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -2.964 16.082 -1.079 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -2.352 15.568 -1.606 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -2.581 16.960 -1.056 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -17.507 15.470 -1.703 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -18.284 15.236 -2.211 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -16.976 14.673 -1.695 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -18.670 15.268 -5.900 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -18.231 15.879 -6.491 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -19.304 15.806 -5.426 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -6.017 15.453 -4.548 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -6.720 16.067 -4.758 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -6.462 14.615 -4.417 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -16.809 17.184 -7.457 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -16.318 16.554 -7.985 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -16.186 17.480 -6.794 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -17.549 15.984 7.814 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -17.915 15.219 8.257 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -16.636 16.013 8.101 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -15.576 15.335 9.350 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -14.677 15.061 9.165 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -15.962 14.592 9.814 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -7.154 14.667 9.532 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -7.078 14.241 10.386 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.261 14.681 9.190 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -17.127 23.496 22.123 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -17.085 22.870 22.847 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -16.424 24.119 22.305 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -14.810 18.809 18.536 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -14.767 19.669 18.118 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -15.268 18.257 17.903 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -13.034 22.756 18.514 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -12.418 22.230 19.023 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -13.620 22.116 18.110 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -16.000 17.727 22.610 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -16.219 18.257 21.844 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -16.668 17.954 23.258 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -18.902 27.038 14.467 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -19.174 27.267 13.578 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -18.857 27.876 14.927 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -11.974 15.033 20.063 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -12.091 14.084 20.009 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -12.829 15.365 20.336 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -9.707 23.870 14.563 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -10.419 24.405 14.212 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -9.016 23.926 13.903 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -9.653 22.328 11.602 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -8.952 22.350 12.253 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -9.351 21.700 10.946 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -14.656 24.710 17.398 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -14.986 24.340 16.579 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -14.068 24.040 17.744 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -14.289 23.479 21.031 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -13.724 23.600 20.268 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -13.970 24.116 21.670 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -7.430 23.242 13.200 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -6.851 23.392 13.947 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -7.016 23.713 12.477 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -16.489 24.076 24.977 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -16.419 24.727 25.675 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -17.380 24.179 24.642 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -15.666 23.780 14.987 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -15.958 24.548 14.496 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -16.340 23.120 14.824 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -2.542 29.358 11.390 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -2.469 30.297 11.560 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -1.637 29.053 11.333 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -19.573 26.143 23.802 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -20.074 26.115 22.987 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -19.567 25.237 24.112 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -10.232 32.935 15.050 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -10.307 32.814 14.104 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -10.199 33.885 15.169 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -7.130 32.089 12.053 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -6.755 31.345 11.582 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -7.126 31.819 12.971 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -7.461 32.015 14.802 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -8.396 32.115 14.981 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -7.181 31.306 15.380 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -10.042 15.658 24.215 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -9.622 15.243 24.968 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -10.975 15.480 24.332 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -5.953 24.275 10.830 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -5.911 24.052 9.900 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -5.104 24.673 11.020 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -14.614 20.902 21.936 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -15.256 20.861 22.645 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -14.577 21.828 21.698 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -14.617 21.123 16.848 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -15.510 20.782 16.789 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -14.166 20.746 16.092 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -16.864 21.222 23.803 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -16.902 21.622 24.671 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -17.355 20.405 23.893 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -13.498 18.596 10.601 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -13.929 18.151 11.331 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -14.216 18.968 10.089 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -12.035 18.550 17.934 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -12.946 18.607 18.223 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -11.530 18.490 18.745 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -13.554 20.179 14.417 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -12.622 20.308 14.595 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -13.769 20.849 13.768 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -14.880 21.374 11.984 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -15.422 20.994 11.293 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -14.046 21.568 11.555 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -12.089 19.726 22.235 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -12.924 20.180 22.345 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -11.565 20.002 22.987 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -11.545 25.939 13.920 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -12.289 25.432 13.597 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -11.679 25.988 14.866 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -16.420 25.234 19.689 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -15.675 25.232 19.088 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -16.342 24.410 20.171 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -9.419 27.398 12.945 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -9.714 28.224 13.327 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -10.122 26.778 13.141 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -19.412 23.695 25.004 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -19.189 23.277 25.836 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -20.014 23.082 24.582 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -3.748 29.616 13.939 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -4.121 28.790 14.249 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -3.471 29.433 13.042 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -6.356 27.592 11.760 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -6.003 27.212 12.564 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -7.305 27.499 11.846 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -1.852 32.072 11.961 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -1.109 32.658 11.821 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -2.547 32.640 12.294 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -17.778 18.448 24.562 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -18.671 18.787 24.495 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -17.877 17.593 24.980 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -5.490 26.265 13.986 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -5.767 25.537 14.542 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -4.563 26.384 14.192 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -13.328 28.274 12.663 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -13.181 27.754 13.453 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -13.331 29.181 12.969 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -16.875 25.527 13.173 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -17.561 25.879 13.740 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -16.352 26.290 12.927 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -10.590 29.972 13.412 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -11.407 30.469 13.465 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -10.061 30.447 12.772 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -11.059 19.569 15.384 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -10.247 20.073 15.430 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -11.304 19.424 16.298 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -10.175 16.650 16.322 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -10.522 17.268 16.967 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -9.517 17.151 15.841 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -13.252 31.015 13.394 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -13.091 31.815 12.893 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -13.449 31.322 14.279 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -14.518 17.713 13.010 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -14.601 18.602 13.356 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -13.628 17.448 13.241 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -16.259 28.141 12.070 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -15.667 28.840 12.346 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -15.800 27.708 11.351 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -18.205 29.527 16.020 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -19.037 30.000 16.047 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -17.659 30.037 15.421 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -14.668 26.294 10.436 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -14.604 25.500 10.967 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -14.015 26.175 9.747 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -13.519 24.266 12.742 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -13.978 23.782 13.428 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -13.264 23.598 12.106 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -12.448 22.509 11.005 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -12.628 22.355 10.077 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -11.497 22.617 11.049 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -3.058 24.864 10.450 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -3.331 24.439 9.637 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -3.018 25.795 10.233 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -13.478 17.884 23.673 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -12.942 18.335 23.021 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -14.330 17.776 23.251 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -12.672 15.340 24.105 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -12.770 16.287 23.999 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -13.415 14.968 23.629 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -12.450 14.634 26.776 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -11.738 13.994 26.762 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -12.551 14.901 25.862 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -3.588 20.927 11.191 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -3.491 21.594 10.511 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -3.728 20.111 10.709 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -19.383 24.385 20.822 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -19.199 24.303 19.887 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -18.534 24.261 21.246 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -19.785 19.656 26.963 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -18.866 19.534 27.199 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -20.235 18.906 27.352 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -19.983 15.963 23.322 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -20.648 15.717 23.965 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -20.426 16.585 22.745 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -9.833 16.836 19.331 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -10.508 16.207 19.586 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -9.269 16.352 18.728 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -18.769 31.216 13.854 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -19.454 31.178 13.186 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -18.766 32.129 14.142 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -16.809 17.184 11.399 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -16.318 16.554 10.871 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -16.186 17.480 12.062 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -11.783 17.477 13.856 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -11.605 16.831 14.539 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -11.837 18.311 14.323 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -3.196 31.989 14.931 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -3.390 31.241 14.366 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -3.235 32.747 14.347 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -17.549 15.984 26.670 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -17.915 15.219 27.113 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -16.636 16.013 26.957 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -15.576 15.335 28.206 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -14.677 15.061 28.021 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -15.962 14.592 28.670 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -17.127 42.352 -15.589 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -17.085 41.726 -14.865 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -16.424 42.975 -15.407 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -16.203 46.802 -17.054 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -16.573 46.000 -17.423 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -15.262 46.633 -17.007 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -19.593 40.462 -21.661 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -20.041 41.308 -21.679 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -20.154 39.882 -22.176 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -18.883 42.624 -19.535 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -18.669 41.854 -19.008 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -18.145 42.713 -20.138 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -7.965 39.564 -16.448 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -7.822 38.617 -16.428 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -8.071 39.771 -17.377 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -14.810 37.665 -19.176 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -14.767 38.525 -19.594 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -15.268 37.113 -19.809 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -18.190 40.062 -18.414 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -17.536 39.512 -17.982 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -18.166 39.788 -19.330 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -16.406 38.475 -17.149 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -15.793 39.108 -16.776 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -15.894 38.003 -17.806 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -18.902 45.894 -23.245 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -19.174 46.123 -24.134 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -18.857 46.732 -22.785 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -4.977 35.802 -15.115 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -5.713 36.413 -15.153 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -4.293 36.217 -15.641 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -11.974 33.889 -17.649 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -12.091 32.940 -17.703 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -12.829 34.221 -17.376 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -6.404 41.110 -13.129 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -6.324 41.873 -12.557 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -7.005 41.389 -13.820 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -14.656 43.566 -20.314 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -14.986 43.196 -21.133 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -14.068 42.896 -19.968 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -14.289 42.335 -16.681 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -13.724 42.456 -17.444 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -13.970 42.972 -16.042 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -16.489 42.932 -12.735 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -16.419 43.583 -12.037 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -17.380 43.035 -13.070 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -15.666 42.636 -22.725 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -15.958 43.404 -23.216 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -16.340 41.976 -22.888 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -19.573 44.999 -13.910 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -20.074 44.971 -14.725 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -19.567 44.093 -13.600 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -19.822 47.779 -17.026 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -18.876 47.635 -17.045 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -19.935 48.563 -16.489 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -16.578 50.580 -20.881 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -16.426 50.232 -20.002 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -17.429 50.224 -21.136 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -4.473 39.938 -10.864 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -4.880 40.419 -11.584 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -4.432 39.033 -11.171 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -17.324 46.322 -12.867 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -17.107 45.961 -12.007 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -18.179 45.948 -13.077 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -14.705 34.792 -16.871 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -15.566 34.705 -17.279 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -14.727 35.648 -16.444 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -6.716 38.270 -12.643 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -7.230 38.144 -11.846 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -6.871 39.182 -12.888 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -14.614 39.758 -15.776 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -15.256 39.717 -15.067 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -14.577 40.684 -16.014 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -9.979 40.570 -10.559 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -10.542 39.866 -10.239 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -9.153 40.450 -10.092 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -16.864 40.078 -13.909 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -16.902 40.478 -13.041 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -17.355 39.261 -13.819 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -20.256 37.194 -20.059 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -19.625 37.165 -19.339 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -19.806 36.769 -20.789 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -18.981 37.940 -24.635 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -18.507 38.531 -25.220 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -19.699 38.471 -24.288 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -8.813 41.479 -14.562 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -8.489 40.848 -15.205 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -9.253 40.944 -13.901 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -17.207 39.035 -20.951 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -18.096 39.135 -21.291 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -16.911 38.193 -21.297 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -7.630 36.641 -16.514 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -8.307 36.772 -15.850 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -8.116 36.486 -17.324 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -16.745 44.787 -10.629 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -16.012 45.041 -10.068 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -17.525 44.991 -10.114 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -12.089 38.582 -15.477 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -12.924 39.036 -15.367 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -11.565 38.858 -14.725 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -10.025 44.979 -12.555 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -10.371 44.598 -11.749 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -10.225 45.913 -12.484 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -16.420 44.090 -18.023 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -15.675 44.088 -18.624 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -16.342 43.266 -17.541 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -19.412 42.551 -12.708 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -19.189 42.133 -11.876 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -20.014 41.938 -13.130 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -12.395 42.068 -10.495 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -12.691 41.902 -11.390 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -11.464 41.848 -10.505 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -18.290 42.470 -26.031 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -17.674 43.097 -25.652 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -19.152 42.786 -25.760 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -18.127 49.109 -14.715 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -17.910 48.177 -14.746 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -17.880 49.383 -13.831 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -16.875 44.383 -24.539 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -17.561 44.735 -23.972 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -16.352 45.146 -24.785 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -10.523 39.411 -13.143 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -10.404 39.985 -12.386 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -9.868 38.723 -13.028 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -4.319 37.318 -12.308 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -5.235 37.581 -12.396 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -3.983 37.315 -13.205 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -17.135 34.443 -17.853 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -17.364 34.502 -18.780 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -17.578 33.651 -17.546 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -18.205 48.383 -21.692 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -19.037 48.856 -21.665 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -17.659 48.893 -22.291 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -7.742 48.295 -10.013 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -8.093 47.439 -9.770 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -7.016 48.438 -9.406 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -19.009 44.806 -9.408 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -18.865 43.904 -9.694 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -19.782 45.092 -9.896 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -12.354 44.776 -9.975 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -12.682 45.047 -10.833 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -12.202 43.835 -10.063 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -18.177 42.006 -9.988 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -17.769 41.149 -10.109 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -18.437 42.021 -9.067 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -14.230 41.015 -12.614 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -14.848 41.690 -12.333 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -13.886 41.336 -13.447 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -9.210 43.486 -9.336 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -8.257 43.570 -9.364 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -9.370 42.775 -8.717 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -13.890 38.370 -11.531 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -13.740 37.641 -12.134 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -13.888 39.147 -12.090 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -6.164 42.783 -10.693 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -6.445 43.492 -11.271 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -5.221 42.710 -10.844 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -11.408 38.518 -10.044 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -11.644 38.298 -9.142 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -12.191 38.311 -10.553 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -18.982 46.692 -26.223 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -18.068 46.771 -25.950 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -18.975 46.005 -26.890 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -20.333 52.085 -21.146 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -20.980 51.623 -21.679 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -19.978 51.413 -20.563 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -19.463 50.166 -19.341 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -19.797 49.285 -19.169 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -19.241 50.511 -18.477 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -3.900 46.332 -8.801 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -4.766 46.227 -8.407 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -3.524 47.091 -8.354 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -19.383 43.241 -16.890 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -19.199 43.159 -17.825 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -18.534 43.117 -16.466 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -3.562 43.133 -11.261 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -2.979 42.399 -11.070 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -2.998 43.905 -11.215 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -2.065 41.036 -10.577 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -2.928 40.657 -10.742 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -1.461 40.297 -10.651 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -1.784 34.044 -8.872 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -1.434 33.390 -9.478 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -1.637 34.881 -9.312 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -18.564 36.824 -17.858 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -18.119 36.032 -17.556 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -18.098 37.540 -17.427 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -20.260 39.823 -16.789 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -19.768 39.602 -17.579 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -19.898 40.664 -16.508 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -2.264 36.153 -10.523 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -3.181 36.424 -10.559 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -2.141 35.618 -11.307 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -19.947 36.081 -22.734 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -20.872 36.290 -22.864 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -19.493 36.565 -23.424 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -17.791 47.994 -10.246 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -18.612 48.169 -10.706 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -18.043 47.921 -9.325 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -3.263 34.243 -12.704 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -4.076 34.568 -13.092 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -3.030 33.483 -13.237 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -18.020 50.848 -17.029 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -18.039 50.423 -16.172 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -17.215 50.530 -17.438 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -15.879 49.558 -18.374 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -16.098 48.642 -18.205 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -15.055 49.698 -17.908 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -9.833 35.692 -18.381 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -10.508 35.063 -18.126 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -9.269 35.208 -18.984 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -4.691 33.799 -18.269 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -4.087 34.347 -18.770 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -5.560 34.119 -18.509 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -17.507 34.326 -20.559 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -18.284 34.092 -21.067 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -16.976 33.529 -20.551 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -7.370 34.283 -19.097 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -7.294 34.378 -20.046 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -7.646 33.375 -18.968 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -18.769 50.072 -23.858 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -19.454 50.034 -24.526 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -18.766 50.985 -23.570 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -16.203 46.802 1.802 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -16.573 46.000 1.433 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -15.262 46.633 1.849 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -18.883 42.624 -0.679 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -18.669 41.854 -0.152 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -18.145 42.713 -1.282 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -8.678 50.781 0.188 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -8.058 50.104 -0.085 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -8.886 50.563 1.096 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -15.023 46.223 4.829 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -15.029 47.102 4.451 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -15.877 46.140 5.254 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -18.902 45.894 -4.389 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -19.174 46.123 -5.278 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -18.857 46.732 -3.929 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -5.277 47.516 2.324 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -6.219 47.574 2.485 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -5.001 48.422 2.187 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -7.025 49.297 -1.051 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -6.600 48.590 -1.536 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -6.708 50.098 -1.468 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -4.180 45.764 5.935 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -4.040 45.173 5.196 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -4.012 46.637 5.579 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -13.289 46.994 1.223 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -13.384 46.416 0.466 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -12.560 46.623 1.719 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -7.980 47.838 2.909 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -8.221 48.500 3.557 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -8.178 47.004 3.334 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -13.409 46.734 6.892 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -13.721 47.516 7.348 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -14.059 46.581 6.206 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -9.704 48.835 -2.221 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -9.230 49.130 -1.443 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -10.267 49.573 -2.454 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -2.542 48.214 -7.466 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -2.469 49.153 -7.296 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -1.637 47.909 -7.523 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -19.573 44.999 4.946 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -20.074 44.971 4.131 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -19.567 44.093 5.256 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -19.822 47.779 1.830 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -18.876 47.635 1.811 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -19.935 48.563 2.367 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -10.646 48.019 6.388 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -10.559 48.845 6.863 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -11.510 47.689 6.637 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -7.130 50.945 -6.803 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -6.755 50.201 -7.274 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -7.126 50.675 -5.885 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -7.461 50.871 -4.054 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -8.396 50.971 -3.875 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -7.181 50.162 -3.476 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -17.324 46.322 5.989 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -17.107 45.961 6.849 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -18.179 45.948 5.779 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -16.745 44.787 8.227 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -16.012 45.041 8.788 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -17.525 44.991 8.742 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -10.025 44.979 6.301 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -10.371 44.598 7.107 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -10.225 45.913 6.372 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -16.420 44.090 0.833 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -15.675 44.088 0.232 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -16.342 43.266 1.315 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -19.412 42.551 6.148 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -19.189 42.133 6.980 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -20.014 41.938 5.726 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -12.395 42.068 8.361 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -12.691 41.902 7.466 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -11.464 41.848 8.351 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -7.775 47.441 6.251 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -8.676 47.624 5.983 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -7.741 47.700 7.172 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -2.080 45.486 7.455 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -2.932 45.724 7.088 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -1.490 45.469 6.702 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -3.748 48.472 -4.917 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -4.121 47.646 -4.607 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.471 48.289 -5.814 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -14.045 47.608 -1.762 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -13.518 48.381 -1.963 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -14.925 47.833 -2.064 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -12.103 49.420 4.129 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -11.740 50.275 3.896 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -11.571 49.128 4.870 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -13.934 50.293 -2.641 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -14.884 50.398 -2.589 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -13.583 51.113 -2.296 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -6.356 46.448 -7.096 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -6.003 46.068 -6.292 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -7.305 46.355 -7.010 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -12.265 47.560 -8.649 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -12.026 46.812 -9.197 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -12.534 47.172 -7.817 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -13.328 47.130 -6.193 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -13.181 46.610 -5.403 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -13.331 48.037 -5.887 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -16.875 44.383 -5.683 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -17.561 44.735 -5.116 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -16.352 45.146 -5.929 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -10.590 48.828 -5.444 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -11.407 49.325 -5.391 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -10.061 49.303 -6.084 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -13.252 49.871 -5.462 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -13.091 50.671 -5.963 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -13.449 50.178 -4.577 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -16.259 46.997 -6.786 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -15.667 47.696 -6.510 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -15.800 46.564 -7.505 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -4.630 50.325 2.266 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -4.786 51.003 1.609 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -3.698 50.397 2.469 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -18.205 48.383 -2.836 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -19.037 48.856 -2.809 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -17.659 48.893 -3.435 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -10.227 49.423 -8.511 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -10.871 48.792 -8.189 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -9.465 48.892 -8.743 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -5.623 49.240 -8.277 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -5.340 48.446 -7.824 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -4.883 49.473 -8.838 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -19.009 44.806 9.448 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -18.865 43.904 9.162 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -19.782 45.092 8.960 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -14.668 45.150 -8.420 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -14.604 44.356 -7.889 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -14.015 45.031 -9.109 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -12.354 44.776 8.881 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -12.682 45.047 8.023 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -12.202 43.835 8.793 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -9.316 46.197 -8.684 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -9.584 46.377 -7.783 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -9.522 45.271 -8.815 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -6.619 44.692 6.264 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -5.874 45.280 6.144 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -7.376 45.274 6.327 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -18.177 42.006 8.868 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -17.769 41.149 8.747 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -18.437 42.021 9.789 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -9.210 43.486 9.520 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -8.257 43.570 9.492 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -9.370 42.775 10.139 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -3.058 43.720 -8.406 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -3.331 43.295 -9.219 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -3.018 44.651 -8.623 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -7.480 39.994 10.085 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -7.288 39.063 9.974 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -6.623 40.419 10.075 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -6.164 42.783 8.163 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -6.445 43.492 7.585 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -5.221 42.710 8.012 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -18.982 46.692 -7.367 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -18.068 46.771 -7.094 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -18.975 46.005 -8.034 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -20.333 52.085 -2.290 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -20.980 51.623 -2.823 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -19.978 51.413 -1.707 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -19.463 50.166 -0.485 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -19.797 49.285 -0.313 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -19.241 50.511 0.379 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -1.914 50.975 2.495 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -1.936 51.160 3.434 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -1.224 51.544 2.154 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -2.446 45.427 2.341 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -1.612 45.049 2.060 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -2.334 46.370 2.222 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -3.959 48.305 4.648 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -4.607 48.630 5.273 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -4.477 47.865 3.973 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -1.937 42.543 -6.216 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -2.458 42.900 -6.935 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -1.970 43.218 -5.538 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -19.383 43.241 1.966 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -19.199 43.159 1.031 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -18.534 43.117 2.390 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -3.562 43.133 7.595 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -2.979 42.399 7.786 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -2.998 43.905 7.641 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -2.065 41.036 8.279 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -2.928 40.657 8.114 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -1.461 40.297 8.205 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -4.340 37.191 -8.548 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -3.730 36.819 -7.911 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -5.177 36.769 -8.352 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -5.176 51.065 -1.933 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -4.523 50.718 -2.541 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -4.665 51.554 -1.287 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -14.837 48.969 4.869 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -15.262 49.778 4.586 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -13.932 49.054 4.567 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -15.879 49.558 0.482 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -16.098 48.642 0.651 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -15.055 49.698 0.948 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -13.342 50.028 1.330 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -13.129 49.140 1.043 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -13.277 49.994 2.285 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -18.769 50.072 -5.002 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -19.454 50.034 -5.670 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -18.766 50.985 -4.714 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -9.905 51.282 -6.605 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -9.039 51.648 -6.783 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -10.152 50.842 -7.418 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -3.196 50.845 -3.925 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -3.390 50.097 -4.490 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -3.235 51.603 -4.509 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -9.653 41.184 11.602 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -8.952 41.206 12.253 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -9.351 40.556 10.946 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -3.732 33.848 13.013 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -4.631 33.987 13.308 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -3.480 34.679 12.611 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -5.953 43.131 10.830 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -5.911 42.908 9.900 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -5.104 43.529 11.020 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -13.498 37.452 10.601 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -13.929 37.007 11.331 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -14.216 37.824 10.089 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -18.981 37.940 13.077 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -18.507 38.531 12.492 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -19.699 38.471 13.424 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -13.554 39.035 14.417 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -12.622 39.164 14.595 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -13.769 39.705 13.768 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -14.880 40.230 11.984 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -15.422 39.850 11.293 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -14.046 40.424 11.555 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -7.647 37.609 12.119 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -8.585 37.721 11.968 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -7.350 38.466 12.425 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -6.929 39.476 13.780 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -6.037 39.339 14.099 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -6.872 40.267 13.243 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -2.044 39.686 13.474 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -2.598 39.290 12.802 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -1.943 40.596 13.197 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -18.290 42.470 11.681 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -17.674 43.097 12.060 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -19.152 42.786 11.952 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -8.259 36.697 14.549 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -8.039 37.169 13.746 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -7.701 37.092 15.220 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -11.059 38.425 15.384 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -10.247 38.929 15.430 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -11.304 38.280 16.298 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -10.175 35.506 16.322 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -10.522 36.124 16.967 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -9.517 36.007 15.841 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -14.518 36.569 13.010 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -14.601 37.458 13.356 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -13.628 36.304 13.241 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -17.943 39.661 11.186 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -17.988 40.600 11.365 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -18.831 39.425 10.916 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -12.448 41.365 11.005 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -12.628 41.211 10.077 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -11.497 41.473 11.049 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -3.058 43.720 10.450 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -3.331 43.295 9.637 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -3.018 44.651 10.233 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -3.588 39.783 11.191 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -3.491 40.450 10.511 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -3.728 38.967 10.709 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -4.094 36.009 15.323 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -3.912 35.560 16.148 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -4.694 35.424 14.859 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -2.228 36.076 11.851 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -1.815 35.355 11.375 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -1.546 36.746 11.909 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -18.670 34.124 12.956 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -18.231 34.735 12.365 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -19.304 34.662 13.430 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -6.017 34.309 14.308 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -6.720 34.923 14.098 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -6.462 33.471 14.439 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -16.809 36.040 11.399 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -16.318 35.410 10.871 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -16.186 36.336 12.062 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -11.783 36.333 13.856 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -11.605 35.687 14.539 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -11.837 37.167 14.323 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -4.691 52.655 0.587 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -4.087 53.203 0.086 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -5.560 52.975 0.347 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 1.729 -33.072 22.123 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 1.771 -33.698 22.847 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 2.432 -32.449 22.305 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 2.653 -28.622 20.658 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 2.283 -29.424 20.289 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 3.594 -28.791 20.705 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -0.737 -34.962 16.051 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -1.185 -34.116 16.033 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -1.298 -35.542 15.536 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 4.046 -37.759 18.536 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 4.089 -36.899 18.118 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 3.588 -38.311 17.903 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 0.666 -35.362 19.298 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 1.320 -35.912 19.730 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 0.690 -35.636 18.382 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 5.822 -33.812 18.514 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 6.438 -34.338 19.023 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 5.236 -34.452 18.110 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 5.425 -31.165 22.898 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 4.685 -30.567 23.001 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 6.139 -30.611 22.582 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 2.450 -36.949 20.563 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 3.063 -36.316 20.936 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 2.962 -37.421 19.906 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 3.833 -29.201 23.685 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 3.827 -28.322 23.307 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 2.979 -29.284 24.110 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 4.200 -31.858 17.398 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 3.870 -32.228 16.579 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 4.788 -32.528 17.744 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 5.567 -28.430 20.079 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 5.472 -29.008 19.322 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 6.296 -28.801 20.575 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 4.567 -33.089 21.031 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 5.132 -32.968 20.268 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 4.886 -32.452 21.670 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 2.367 -32.492 24.977 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 2.437 -31.841 25.675 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 1.476 -32.389 24.642 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 3.686 -26.618 26.512 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 3.694 -26.754 25.564 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 2.770 -26.736 26.764 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 3.190 -32.788 14.987 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 2.898 -32.020 14.496 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 2.516 -33.448 14.824 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -0.717 -30.425 23.802 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -1.218 -30.453 22.987 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -0.711 -31.331 24.112 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 2.278 -24.844 16.831 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 2.430 -25.192 17.710 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 1.427 -25.200 16.576 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 1.532 -29.102 24.845 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 1.749 -29.463 25.705 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 0.677 -29.476 24.635 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 4.242 -35.666 21.936 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 3.600 -35.707 22.645 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 4.279 -34.740 21.698 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 4.239 -35.445 16.848 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 3.346 -35.786 16.789 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 4.690 -35.822 16.092 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 1.992 -35.346 23.803 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 1.954 -34.946 24.671 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 1.501 -36.163 23.893 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -1.400 -38.230 17.653 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -0.769 -38.259 18.373 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -0.950 -38.655 16.923 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 1.649 -36.389 16.761 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 0.760 -36.289 16.421 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 1.945 -37.231 16.415 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 7.311 -30.629 13.920 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 6.567 -31.136 13.597 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 7.177 -30.580 14.866 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -0.556 -32.873 25.004 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -0.333 -33.291 25.836 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -1.158 -33.486 24.582 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 4.811 -27.816 17.094 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 5.338 -27.043 16.893 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 3.931 -27.591 16.792 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 0.566 -32.954 11.681 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 1.182 -32.327 12.060 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -0.296 -32.638 11.952 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 6.238 -30.153 16.670 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 5.997 -29.228 16.712 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 5.498 -30.612 17.066 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 4.922 -25.131 16.215 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 3.972 -25.026 16.267 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 5.273 -24.311 16.560 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 5.528 -28.294 12.663 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 5.675 -28.814 13.453 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 5.525 -27.387 12.969 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 1.981 -31.041 13.173 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 1.295 -30.689 13.740 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 2.504 -30.278 12.927 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 2.597 -28.427 12.070 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 3.189 -27.728 12.346 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 3.056 -28.860 11.351 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -0.060 -24.428 27.350 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 0.480 -24.645 28.109 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -0.541 -25.234 27.160 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -0.153 -30.618 28.304 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -0.009 -31.520 28.018 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -0.926 -30.332 27.816 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 5.337 -32.302 12.742 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 4.878 -32.786 13.428 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 5.592 -32.970 12.106 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -0.126 -28.732 11.489 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 0.788 -28.653 11.762 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -0.119 -29.419 10.822 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -1.477 -23.339 16.566 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -2.124 -23.801 16.033 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -1.122 -24.011 17.149 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -1.404 -35.601 20.923 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -0.912 -35.822 20.133 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -1.042 -34.760 21.204 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 1.065 -27.430 27.466 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 0.244 -27.255 27.006 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 0.813 -27.503 28.387 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 4.019 -26.455 23.725 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 3.594 -25.646 23.442 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 4.924 -26.370 23.423 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 1.421 -23.199 23.772 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 0.701 -22.759 23.321 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 1.055 -23.450 24.621 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 3.888 -23.599 22.802 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 3.023 -23.527 23.206 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 3.833 -23.052 22.018 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 0.836 -24.576 20.683 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 0.817 -25.001 21.540 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 1.641 -24.894 20.274 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 2.977 -25.866 19.338 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 2.758 -26.782 19.507 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 3.801 -25.726 19.804 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 0.087 -25.352 13.854 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -0.598 -25.390 13.186 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 0.090 -24.439 14.142 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 1.729 -14.216 22.123 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 1.771 -14.842 22.847 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 2.432 -13.593 22.305 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -0.737 -16.106 16.051 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -1.185 -15.260 16.033 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -1.298 -16.686 15.536 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -0.027 -13.944 18.177 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 0.187 -14.714 18.704 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 0.711 -13.855 17.574 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 0.666 -16.506 19.298 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 1.320 -17.056 19.730 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 0.690 -16.780 18.382 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 2.856 -19.985 22.610 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 2.637 -19.455 21.844 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 2.188 -19.758 23.258 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 2.450 -18.093 20.563 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 3.063 -17.460 20.936 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 2.962 -18.565 19.906 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -0.046 -10.674 14.467 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -0.318 -10.445 13.578 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -0.001 -9.836 14.927 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 2.367 -13.636 24.977 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 2.437 -12.985 25.675 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 1.476 -13.533 24.642 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -0.717 -11.569 23.802 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -1.218 -11.597 22.987 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -0.711 -12.475 24.112 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -0.966 -8.789 20.686 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -0.020 -8.933 20.667 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -1.079 -8.005 21.223 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 1.532 -10.246 24.845 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 1.749 -10.607 25.705 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 0.677 -10.620 24.635 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 1.992 -16.490 23.803 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 1.954 -16.090 24.671 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 1.501 -17.307 23.893 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -1.400 -19.374 17.653 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -0.769 -19.403 18.373 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -0.950 -19.799 16.923 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 1.649 -17.533 16.761 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 0.760 -17.433 16.421 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 1.945 -18.375 16.415 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 2.436 -12.478 19.689 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 3.181 -12.480 19.088 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 2.514 -13.302 20.171 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -0.556 -14.017 25.004 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -0.333 -14.435 25.836 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -1.158 -14.630 24.582 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 1.078 -19.264 24.562 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 0.185 -18.925 24.495 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 0.979 -20.119 24.980 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 1.721 -22.125 19.859 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 1.492 -22.066 18.932 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 1.278 -22.917 20.166 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -0.153 -11.762 28.304 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -0.009 -12.664 28.018 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -0.926 -11.476 27.816 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 0.679 -14.562 27.724 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 1.087 -15.419 27.603 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 0.419 -14.547 28.645 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -0.929 -18.056 26.963 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -0.010 -18.178 27.199 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -1.379 -18.806 27.352 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 0.292 -19.744 19.854 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 0.737 -20.536 20.156 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 0.758 -19.028 20.285 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -1.091 -20.487 14.978 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -2.016 -20.278 14.848 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -0.637 -20.003 14.288 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -1.127 -21.749 23.322 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -1.792 -21.995 23.965 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -1.570 -21.127 22.745 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 1.349 -22.242 17.153 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 0.572 -22.476 16.645 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 1.880 -23.039 17.161 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 0.186 -22.444 12.956 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 0.625 -21.833 12.365 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -0.448 -21.906 13.430 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 0.566 -14.098 30.537 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 1.182 -13.471 30.916 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -0.296 -13.782 30.808 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 0.913 -16.907 30.042 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 0.868 -15.968 30.221 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 0.025 -17.143 29.772 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -1.477 14.373 -2.290 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -2.124 13.911 -2.823 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -1.122 13.701 -1.707 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -0.607 12.454 -0.485 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -0.941 11.573 -0.313 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -0.385 12.799 0.379 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 1.729 23.496 -15.589 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 1.771 22.870 -14.865 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 2.432 24.119 -15.407 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 2.653 27.946 -17.054 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 2.283 27.144 -17.423 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 3.594 27.777 -17.007 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -0.027 23.768 -19.535 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 0.187 22.998 -19.008 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 0.711 23.857 -20.138 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 0.666 21.206 -18.414 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 1.320 20.656 -17.982 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 0.690 20.932 -19.330 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 5.425 25.403 -14.814 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 4.685 26.001 -14.711 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 6.139 25.957 -15.130 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 2.450 19.619 -17.149 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 3.063 20.252 -16.776 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 2.962 19.147 -17.806 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 3.833 27.367 -14.027 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 3.827 28.246 -14.405 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 2.979 27.284 -13.602 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 4.567 23.479 -16.681 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 5.132 23.600 -17.444 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 4.886 24.116 -16.042 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 5.447 27.878 -11.964 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 5.135 28.660 -11.508 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 4.797 27.725 -12.650 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 3.686 29.950 -11.200 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 3.694 29.814 -12.148 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 2.770 29.832 -10.948 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -0.966 28.923 -17.026 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -0.020 28.779 -17.045 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -1.079 29.707 -16.489 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 4.242 20.902 -15.776 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 3.600 20.861 -15.067 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 4.279 21.828 -16.014 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 1.992 21.222 -13.909 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 1.954 21.622 -13.041 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 1.501 20.405 -13.819 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 2.436 25.234 -18.023 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 3.181 25.232 -18.624 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 2.514 24.410 -17.541 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 1.078 18.448 -13.150 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 0.185 18.787 -13.217 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 0.979 17.593 -12.732 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 0.729 30.253 -14.715 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 0.946 29.321 -14.746 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 0.976 30.527 -13.831 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -0.060 32.140 -10.362 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 0.480 31.923 -9.603 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -0.541 31.334 -10.552 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 6.502 25.920 -9.975 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 6.174 26.191 -10.833 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 6.654 24.979 -10.063 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 4.626 22.159 -12.614 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 4.008 22.834 -12.333 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 4.970 22.480 -13.447 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 3.444 20.712 -9.620 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 2.677 20.180 -9.830 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 4.123 20.402 -10.219 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 1.625 18.633 -9.915 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 1.836 17.926 -10.526 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 1.513 18.195 -9.071 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -0.527 24.385 -16.890 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -0.343 24.303 -17.825 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 0.322 24.261 -16.466 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -0.929 19.656 -10.749 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -0.010 19.534 -10.513 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -1.379 18.906 -10.360 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -1.404 20.967 -16.789 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -0.912 20.746 -17.579 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -1.042 21.808 -16.508 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 1.065 29.138 -10.246 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 0.244 29.313 -10.706 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 0.813 29.065 -9.325 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 4.019 30.113 -13.987 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 3.594 30.922 -14.270 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 4.924 30.198 -14.289 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 1.421 33.369 -13.940 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 0.701 33.809 -14.391 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 1.055 33.118 -13.091 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 0.836 31.992 -17.029 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 0.817 31.567 -16.172 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 1.641 31.674 -17.438 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 2.977 30.702 -18.374 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 2.758 29.786 -18.205 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 3.801 30.842 -17.908 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 2.653 27.946 1.802 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 2.283 27.144 1.433 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 3.594 27.777 1.849 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 4.046 18.809 -0.320 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 4.089 19.669 -0.738 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 3.588 18.257 -0.953 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 5.822 22.756 -0.342 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 6.438 22.230 0.167 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 5.236 22.116 -0.746 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 2.856 17.727 3.754 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 2.637 18.257 2.988 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 2.188 17.954 4.402 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 5.425 25.403 4.042 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 4.685 26.001 4.145 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 6.139 25.957 3.726 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 2.450 19.619 1.707 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 3.063 20.252 2.080 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 2.962 19.147 1.050 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 3.833 27.367 4.829 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 3.827 28.246 4.451 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 2.979 27.284 5.254 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 4.200 24.710 -1.458 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 3.870 24.340 -2.277 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 4.788 24.040 -1.112 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 5.567 28.138 1.223 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 5.472 27.560 0.466 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 6.296 27.767 1.719 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 4.567 23.479 2.175 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 5.132 23.600 1.412 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 4.886 24.116 2.814 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 5.447 27.878 6.892 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 5.135 28.660 7.348 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 4.797 27.725 6.206 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 2.367 24.076 6.121 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 2.437 24.727 6.819 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 1.476 24.179 5.786 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 3.686 29.950 7.656 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 3.694 29.814 6.708 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 2.770 29.832 7.908 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 3.190 23.780 -3.869 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 2.898 24.548 -4.360 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 2.516 23.120 -4.032 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 1.532 27.466 5.989 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 1.749 27.105 6.849 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 0.677 27.092 5.779 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 4.242 20.902 3.080 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 3.600 20.861 3.789 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 4.279 21.828 2.842 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 4.239 21.123 -2.008 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 3.346 20.782 -2.067 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 4.690 20.746 -2.764 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 1.992 21.222 4.947 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 1.954 21.622 5.815 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 1.501 20.405 5.037 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 5.358 18.596 -8.255 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 4.927 18.151 -7.525 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 4.640 18.968 -8.767 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -1.400 18.338 -1.203 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -0.769 18.309 -0.483 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -0.950 17.913 -1.933 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 1.649 20.179 -2.095 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 0.760 20.279 -2.435 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 1.945 19.337 -2.441 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 5.302 20.179 -4.439 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 6.234 20.308 -4.261 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 5.087 20.849 -5.088 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 3.976 21.374 -6.872 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 3.434 20.994 -7.563 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 4.810 21.568 -7.301 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 2.111 25.931 8.227 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 2.844 26.185 8.788 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 1.331 26.135 8.742 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 3.143 17.474 -2.617 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 2.826 16.572 -2.652 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 3.924 17.476 -3.169 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 4.811 28.752 -1.762 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 5.338 29.525 -1.963 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 3.931 28.977 -2.064 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 6.238 26.415 -2.186 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 5.997 27.340 -2.144 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 5.498 25.956 -1.790 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 6.753 30.564 4.129 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 7.116 31.419 3.896 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 7.285 30.272 4.870 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 4.922 31.437 -2.641 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 3.972 31.542 -2.589 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 5.273 32.257 -2.296 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 1.078 18.448 5.706 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 0.185 18.787 5.639 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 0.979 17.593 6.124 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 5.528 28.274 -6.193 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 5.675 27.754 -5.403 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 5.525 29.181 -5.887 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 5.604 31.015 -5.462 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 5.765 31.815 -5.963 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 5.407 31.322 -4.577 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 4.338 17.713 -5.846 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 4.255 18.602 -5.500 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 5.228 17.448 -5.615 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 2.597 28.141 -6.786 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 3.189 28.840 -6.510 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 3.056 27.708 -7.505 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 4.537 31.059 10.114 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 5.305 30.600 10.455 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 4.516 30.833 9.184 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -0.153 25.950 9.448 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -0.009 25.048 9.162 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -0.926 26.236 8.960 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 4.188 26.294 -8.420 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 4.252 25.500 -7.889 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 4.841 26.175 -9.109 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 0.679 23.150 8.868 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 1.087 22.293 8.747 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 0.419 23.165 9.789 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 5.337 24.266 -6.114 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 4.878 23.782 -5.428 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 5.592 23.598 -6.750 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 4.626 22.159 6.242 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 4.008 22.834 6.523 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 4.970 22.480 5.409 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 6.408 22.509 -7.851 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 6.228 22.355 -8.779 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 7.359 22.617 -7.807 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 6.306 33.200 -6.850 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 7.239 33.358 -6.706 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 6.042 33.875 -7.475 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -0.929 19.656 8.107 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -0.010 19.534 8.343 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -1.379 18.906 8.496 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 0.292 17.968 0.998 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 0.737 17.176 1.300 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 0.758 18.684 1.429 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -1.091 17.225 -3.878 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -2.016 17.434 -4.008 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -0.637 17.709 -4.568 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 -1.127 15.963 4.466 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 -1.792 15.717 5.109 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 -1.570 16.585 3.889 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 1.065 29.138 8.610 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 0.244 29.313 8.150 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 0.813 29.065 9.531 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 4.019 30.113 4.869 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 3.594 30.922 4.586 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 4.924 30.198 4.567 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 3.888 32.969 3.946 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 3.023 33.041 4.350 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 3.833 33.516 3.162 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 5.514 31.172 1.330 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 5.727 30.284 1.043 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 5.579 31.138 2.285 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 1.349 15.470 -1.703 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 0.572 15.236 -2.211 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 1.880 14.673 -1.695 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 0.186 15.268 -5.900 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 0.625 15.879 -6.491 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 -0.448 15.806 -5.426 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 2.047 17.184 -7.457 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 2.538 16.554 -7.985 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 2.670 17.480 -6.794 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 1.905 32.136 -7.977 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 1.637 32.423 -7.104 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 2.676 31.590 -7.825 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 -0.126 27.836 11.489 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 0.788 27.915 11.762 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 -0.119 27.149 10.822 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 0.087 31.216 13.854 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 -0.598 31.178 13.186 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 0.090 32.129 14.142 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 1.905 32.136 10.879 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 1.637 32.423 11.752 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 2.676 31.590 11.031 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -0.929 38.512 -10.749 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 -0.010 38.390 -10.513 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 -1.379 37.762 -10.360 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 -1.127 34.819 -14.390 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 -1.792 34.573 -13.747 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 -1.570 35.441 -14.967 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 3.280 34.191 -9.506 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 4.179 33.917 -9.691 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 2.894 33.448 -9.042 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 1.729 42.352 3.267 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 1.771 41.726 3.991 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 2.432 42.975 3.449 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 2.653 46.802 1.802 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 2.283 46.000 1.433 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 3.594 46.633 1.849 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 4.046 37.665 -0.320 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 4.089 38.525 -0.738 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 3.588 37.113 -0.953 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 5.822 41.612 -0.342 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 6.438 41.086 0.167 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 5.236 40.972 -0.746 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 2.856 36.583 3.754 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 2.637 37.113 2.988 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 2.188 36.810 4.402 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 5.425 44.259 4.042 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 4.685 44.857 4.145 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 6.139 44.813 3.726 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 -0.046 45.894 -4.389 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 -0.318 46.123 -5.278 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 -0.001 46.732 -3.929 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 6.882 33.889 1.207 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 6.765 32.940 1.153 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 6.027 34.221 1.480 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 4.200 43.566 -1.458 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 3.870 43.196 -2.277 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 4.788 42.896 -1.112 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 4.567 42.335 2.175 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 5.132 42.456 1.412 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 4.886 42.972 2.814 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 2.367 42.932 6.121 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 2.437 43.583 6.819 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 1.476 43.035 5.786 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 3.190 42.636 -3.869 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 2.898 43.404 -4.360 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 2.516 41.976 -4.032 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 -0.717 44.999 4.946 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 -1.218 44.971 4.131 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 -0.711 44.093 5.256 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 -0.966 47.779 1.830 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 -0.020 47.635 1.811 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 -1.079 48.563 2.367 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 1.532 46.322 5.989 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 1.749 45.961 6.849 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 0.677 45.948 5.779 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 4.151 34.792 1.985 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 3.290 34.705 1.577 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 4.129 35.648 2.412 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 4.242 39.758 3.080 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 3.600 39.717 3.789 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 4.279 40.684 2.842 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 4.239 39.979 -2.008 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 3.346 39.638 -2.067 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 4.690 39.602 -2.764 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 1.992 40.078 4.947 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 1.954 40.478 5.815 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 1.501 39.261 5.037 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 -0.125 37.940 -5.779 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 0.349 38.531 -6.364 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 -0.843 38.471 -5.432 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 6.821 37.406 -0.922 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 5.910 37.463 -0.633 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 7.326 37.346 -0.111 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 5.302 39.035 -4.439 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 6.234 39.164 -4.261 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 5.087 39.705 -5.088 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 3.143 36.330 -2.617 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 2.826 35.428 -2.652 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 3.924 36.332 -3.169 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 6.767 38.582 3.379 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 5.932 39.036 3.489 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 7.291 38.858 4.131 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 2.436 44.090 0.833 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 3.181 44.088 0.232 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 2.514 43.266 1.315 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 -0.556 42.551 6.148 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 -0.333 42.133 6.980 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 -1.158 41.938 5.726 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 0.566 42.470 -7.175 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 1.182 43.097 -6.796 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 -0.296 42.786 -6.904 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 1.981 44.383 -5.683 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 1.295 44.735 -5.116 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 2.504 45.146 -5.929 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 4.338 36.569 -5.846 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 4.255 37.458 -5.500 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 5.228 36.304 -5.615 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 0.913 39.661 -7.670 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 0.868 40.600 -7.491 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 0.025 39.425 -7.940 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 0.651 48.383 -2.836 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -0.181 48.856 -2.809 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 1.197 48.893 -3.435 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 0.679 42.006 8.868 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 1.087 41.149 8.747 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 0.419 42.021 9.789 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 4.626 41.015 6.242 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 4.008 41.690 6.523 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 4.970 41.336 5.409 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 4.966 38.370 7.325 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 5.116 37.641 6.722 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 4.968 39.147 6.766 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 5.378 36.740 4.817 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 5.914 37.191 4.165 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 4.526 36.632 4.395 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 3.444 39.568 9.236 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 2.677 39.036 9.026 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 4.123 39.258 8.637 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 6.184 34.196 5.249 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 6.086 35.143 5.143 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 5.441 33.824 4.773 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 6.406 33.490 7.920 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 7.118 32.850 7.906 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 6.305 33.757 7.006 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 6.759 35.173 9.974 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 6.628 34.697 9.153 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 6.160 35.917 9.918 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 -0.126 46.692 -7.367 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 0.788 46.771 -7.094 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 -0.119 46.005 -8.034 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 -1.477 52.085 -2.290 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 -2.124 51.623 -2.823 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 -1.122 51.413 -1.707 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 -0.607 50.166 -0.485 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 -0.941 49.285 -0.313 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 -0.385 50.511 0.379 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 5.929 34.253 -1.890 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 6.803 34.641 -1.920 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 5.793 34.038 -0.967 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 0.087 50.072 -5.002 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -0.598 50.034 -5.670 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 0.090 50.985 -4.714 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 2.047 36.040 -7.457 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 2.538 35.410 -7.985 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 2.670 36.336 -6.794 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 7.073 36.333 -5.000 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 7.251 35.687 -4.317 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 7.019 37.167 -4.533 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 3.280 34.191 9.350 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 4.179 33.917 9.165 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 2.894 33.448 9.814 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 5.358 37.452 10.601 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 4.927 37.007 11.331 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 4.640 37.824 10.089 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 -0.125 37.940 13.077 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 0.349 38.531 12.492 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 -0.843 38.471 13.424 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 3.976 40.230 11.984 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 3.434 39.850 11.293 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 4.810 40.424 11.555 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 4.338 36.569 13.010 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 4.255 37.458 13.356 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 5.228 36.304 13.241 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 0.913 39.661 11.186 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 0.868 40.600 11.365 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 0.025 39.425 10.916 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 -1.091 36.081 14.978 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 -2.016 36.290 14.848 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 -0.637 36.565 14.288 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 0.186 34.124 12.956 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 0.625 34.735 12.365 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 -0.448 34.662 13.430 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 2.047 36.040 11.399 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 2.538 35.410 10.871 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 2.670 36.336 12.062 0.00 0.00 WAT1 END