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 13:35:07 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -19.672 -12.184 8.616 1.00 55.01 ATOM 2 CB MET 1 -21.065 -13.564 9.482 1.00 22.41 ATOM 3 HB1 MET 1 -21.409 -12.948 10.306 1.00 37.15 ATOM 4 HB2 MET 1 -21.049 -14.597 9.801 1.00 43.25 ATOM 5 CG MET 1 -22.049 -13.438 8.331 1.00 41.25 ATOM 6 HG1 MET 1 -22.057 -14.369 7.783 1.00 37.15 ATOM 7 HG2 MET 1 -21.730 -12.639 7.673 1.00 53.00 ATOM 8 SD MET 1 -23.727 -13.085 8.887 1.00 53.12 ATOM 9 CE MET 1 -24.393 -12.253 7.447 1.00 13.02 ATOM 10 HE1 MET 1 -23.811 -11.367 7.242 1.00 63.02 ATOM 11 HE2 MET 1 -25.419 -11.974 7.635 1.00 33.32 ATOM 12 HE3 MET 1 -24.351 -12.917 6.596 1.00 22.24 ATOM 13 C MET 1 -18.798 -13.008 10.383 1.00 13.40 ATOM 14 O MET 1 -18.272 -13.993 10.899 1.00 51.14 ATOM 15 N MET 1 -19.046 -14.108 8.199 1.00 3.54 ATOM 16 HT1 MET 1 -19.005 -15.057 8.632 1.00 37.15 ATOM 17 HT2 MET 1 -18.077 -13.816 7.947 1.00 37.15 ATOM 18 HT3 MET 1 -19.605 -14.167 7.321 1.00 37.15 ATOM 19 CA MET 1 -19.640 -13.143 9.118 1.00 22.20 ATOM 20 N GLY 2 -18.675 -11.780 10.878 1.00 12.31 ATOM 21 HN GLY 2 -19.127 -11.025 10.432 1.00 37.15 ATOM 22 CA GLY 2 -17.896 -11.538 12.078 1.00 21.44 ATOM 23 HA1 GLY 2 -17.189 -12.346 12.235 1.00 37.15 ATOM 24 HA2 GLY 2 -18.567 -11.500 12.922 1.00 72.24 ATOM 25 C GLY 2 -17.125 -10.235 12.017 1.00 52.31 ATOM 26 O GLY 2 -17.449 -9.350 11.223 1.00 23.51 ATOM 27 N HIS 3 -16.103 -10.113 12.858 1.00 11.11 ATOM 28 HN HIS 3 -15.890 -10.848 13.478 1.00 37.15 ATOM 29 CA HIS 3 -15.284 -8.906 12.897 1.00 74.42 ATOM 30 HA HIS 3 -15.574 -8.247 12.087 1.00 10.01 ATOM 31 CB HIS 3 -15.492 -8.166 14.218 1.00 23.25 ATOM 32 HB1 HIS 3 -14.958 -7.226 14.188 1.00 37.15 ATOM 33 HB2 HIS 3 -15.106 -8.767 15.030 1.00 62.14 ATOM 34 CG HIS 3 -16.929 -7.870 14.520 1.00 24.44 ATOM 35 ND1 HIS 3 -17.771 -8.775 15.131 1.00 71.42 ATOM 36 HD1 HIS 3 -17.527 -9.678 15.422 1.00 52.24 ATOM 37 CD2 HIS 3 -17.671 -6.761 14.294 1.00 63.31 ATOM 38 HD2 HIS 3 -17.331 -5.846 13.829 1.00 22.41 ATOM 39 CE1 HIS 3 -18.970 -8.236 15.265 1.00 23.41 ATOM 40 HE1 HIS 3 -19.831 -8.713 15.709 1.00 13.12 ATOM 41 NE2 HIS 3 -18.935 -7.014 14.766 1.00 73.25 ATOM 42 HE2 HIS 3 -19.711 -6.426 14.658 1.00 37.15 ATOM 43 C HIS 3 -13.808 -9.246 12.716 1.00 1.33 ATOM 44 O HIS 3 -13.435 -10.416 12.635 1.00 62.51 ATOM 45 N HIS 4 -12.972 -8.214 12.654 1.00 61.13 ATOM 46 HN HIS 4 -13.328 -7.295 12.708 1.00 37.15 ATOM 47 CA HIS 4 -11.536 -8.403 12.482 1.00 23.25 ATOM 48 HA HIS 4 -11.263 -9.380 12.868 1.00 14.45 ATOM 49 CB HIS 4 -11.165 -8.343 11.000 1.00 11.44 ATOM 50 HB1 HIS 4 -11.511 -9.247 10.519 1.00 37.15 ATOM 51 HB2 HIS 4 -10.090 -8.280 10.892 1.00 3.44 ATOM 52 CG HIS 4 -11.772 -7.179 10.278 1.00 31.23 ATOM 53 ND1 HIS 4 -11.207 -5.921 10.269 1.00 34.24 ATOM 54 HD1 HIS 4 -10.376 -5.663 10.720 1.00 33.41 ATOM 55 CD2 HIS 4 -12.901 -7.089 9.536 1.00 5.34 ATOM 56 HD2 HIS 4 -13.597 -7.890 9.327 1.00 12.44 ATOM 57 CE1 HIS 4 -11.963 -5.107 9.555 1.00 52.22 ATOM 58 HE1 HIS 4 -11.768 -4.060 9.374 1.00 75.34 ATOM 59 NE2 HIS 4 -12.997 -5.791 9.098 1.00 1.23 ATOM 60 HE2 HIS 4 -13.662 -5.452 8.462 1.00 37.15 ATOM 61 C HIS 4 -10.753 -7.349 13.258 1.00 4.44 ATOM 62 O HIS 4 -11.230 -6.232 13.463 1.00 45.33 ATOM 63 N HIS 5 -9.548 -7.711 13.689 1.00 13.43 ATOM 64 HN HIS 5 -9.213 -8.614 13.476 1.00 37.15 ATOM 65 CA HIS 5 -8.699 -6.795 14.443 1.00 20.33 ATOM 66 HA HIS 5 -9.242 -6.491 15.332 1.00 34.11 ATOM 67 CB HIS 5 -7.405 -7.494 14.861 1.00 22.11 ATOM 68 HB1 HIS 5 -6.668 -6.753 15.151 1.00 37.15 ATOM 69 HB2 HIS 5 -7.022 -8.061 14.025 1.00 41.42 ATOM 70 CG HIS 5 -7.578 -8.438 16.011 1.00 72.22 ATOM 71 ND1 HIS 5 -8.410 -9.537 15.964 1.00 54.33 ATOM 72 HD1 HIS 5 -8.956 -9.811 15.201 1.00 64.04 ATOM 73 CD2 HIS 5 -7.019 -8.444 17.243 1.00 31.35 ATOM 74 HD2 HIS 5 -6.310 -7.724 17.629 1.00 62.15 ATOM 75 CE1 HIS 5 -8.357 -10.177 17.118 1.00 10.42 ATOM 76 HE1 HIS 5 -8.904 -11.074 17.369 1.00 12.54 ATOM 77 NE2 HIS 5 -7.519 -9.534 17.912 1.00 34.32 ATOM 78 HE2 HIS 5 -7.223 -9.846 18.793 1.00 37.15 ATOM 79 C HIS 5 -8.377 -5.551 13.621 1.00 63.31 ATOM 80 O HIS 5 -8.348 -5.598 12.391 1.00 51.03 ATOM 81 N HIS 6 -8.135 -4.439 14.308 1.00 34.44 ATOM 82 HN HIS 6 -8.186 -4.456 15.293 1.00 37.15 ATOM 83 CA HIS 6 -7.815 -3.182 13.641 1.00 33.43 ATOM 84 HA HIS 6 -7.407 -3.395 12.660 1.00 52.23 ATOM 85 CB HIS 6 -9.076 -2.334 13.473 1.00 32.25 ATOM 86 HB1 HIS 6 -9.709 -2.799 12.732 1.00 37.15 ATOM 87 HB2 HIS 6 -8.810 -1.342 13.132 1.00 42.13 ATOM 88 CG HIS 6 -9.877 -2.196 14.732 1.00 71.35 ATOM 89 ND1 HIS 6 -10.747 -3.168 15.180 1.00 3.24 ATOM 90 HD1 HIS 6 -10.928 -4.023 14.737 1.00 22.54 ATOM 91 CD2 HIS 6 -9.935 -1.193 15.639 1.00 74.25 ATOM 92 HD2 HIS 6 -9.363 -0.279 15.621 1.00 0.41 ATOM 93 CE1 HIS 6 -11.306 -2.768 16.308 1.00 14.41 ATOM 94 HE1 HIS 6 -12.028 -3.325 16.887 1.00 54.50 ATOM 95 NE2 HIS 6 -10.831 -1.572 16.608 1.00 23.52 ATOM 96 HE2 HIS 6 -11.149 -1.006 17.342 1.00 37.15 ATOM 97 C HIS 6 -6.764 -2.403 14.426 1.00 33.11 ATOM 98 O HIS 6 -6.385 -2.792 15.531 1.00 31.03 ATOM 99 N HIS 7 -6.297 -1.301 13.847 1.00 22.44 ATOM 100 HN HIS 7 -6.625 -1.042 12.954 1.00 37.15 ATOM 101 CA HIS 7 -5.289 -0.467 14.493 1.00 72.51 ATOM 102 HA HIS 7 -5.235 -0.730 15.545 1.00 21.42 ATOM 103 CB HIS 7 -3.916 -0.715 13.868 1.00 3.42 ATOM 104 HB1 HIS 7 -3.178 -0.107 14.374 1.00 37.15 ATOM 105 HB2 HIS 7 -3.946 -0.439 12.823 1.00 53.44 ATOM 106 CG HIS 7 -3.470 -2.142 13.947 1.00 21.34 ATOM 107 ND1 HIS 7 -3.911 -3.118 13.079 1.00 51.14 ATOM 108 HD1 HIS 7 -4.543 -2.985 12.342 1.00 43.15 ATOM 109 CD2 HIS 7 -2.615 -2.757 14.798 1.00 13.14 ATOM 110 HD2 HIS 7 -2.078 -2.293 15.613 1.00 13.15 ATOM 111 CE1 HIS 7 -3.349 -4.271 13.393 1.00 63.23 ATOM 112 HE1 HIS 7 -3.508 -5.211 12.885 1.00 62.12 ATOM 113 NE2 HIS 7 -2.557 -4.079 14.433 1.00 74.33 ATOM 114 HE2 HIS 7 -1.946 -4.747 14.808 1.00 37.15 ATOM 115 C HIS 7 -5.654 1.010 14.381 1.00 63.20 ATOM 116 O HIS 7 -5.698 1.568 13.284 1.00 63.41 ATOM 117 N HIS 8 -5.915 1.638 15.523 1.00 52.11 ATOM 118 HN HIS 8 -5.879 1.141 16.374 1.00 37.15 ATOM 119 CA HIS 8 -6.276 3.051 15.553 1.00 52.03 ATOM 120 HA HIS 8 -5.988 3.508 14.610 1.00 74.12 ATOM 121 CB HIS 8 -7.785 3.210 15.747 1.00 65.34 ATOM 122 HB1 HIS 8 -7.995 4.143 16.257 1.00 37.15 ATOM 123 HB2 HIS 8 -8.159 2.394 16.349 1.00 35.11 ATOM 124 CG HIS 8 -8.555 3.226 14.462 1.00 10.14 ATOM 125 ND1 HIS 8 -8.636 4.335 13.647 1.00 2.43 ATOM 126 HD1 HIS 8 -8.212 5.202 13.817 1.00 2.44 ATOM 127 CD2 HIS 8 -9.281 2.260 13.853 1.00 64.42 ATOM 128 HD2 HIS 8 -9.435 1.256 14.208 1.00 61.24 ATOM 129 CE1 HIS 8 -9.379 4.051 12.593 1.00 52.11 ATOM 130 HE1 HIS 8 -9.616 4.728 11.786 1.00 63.43 ATOM 131 NE2 HIS 8 -9.782 2.797 12.693 1.00 14.32 ATOM 132 HE2 HIS 8 -10.423 2.360 12.094 1.00 37.15 ATOM 133 C HIS 8 -5.529 3.779 16.666 1.00 41.42 ATOM 134 O HIS 8 -5.234 3.200 17.711 1.00 13.01 ATOM 135 N SER 9 -5.225 5.052 16.433 1.00 3.23 ATOM 136 HN SER 9 -5.503 5.468 15.582 1.00 37.15 ATOM 137 CA SER 9 -4.508 5.858 17.414 1.00 4.33 ATOM 138 HA SER 9 -3.798 5.224 17.931 1.00 44.12 ATOM 139 CB SER 9 -3.737 6.981 16.718 1.00 44.14 ATOM 140 HB1 SER 9 -3.266 7.615 17.459 1.00 37.15 ATOM 141 HB2 SER 9 -4.420 7.569 16.124 1.00 71.30 ATOM 142 OG SER 9 -2.730 6.458 15.869 1.00 61.25 ATOM 143 HG SER 9 -2.240 7.181 15.470 1.00 73.21 ATOM 144 C SER 9 -5.470 6.448 18.441 1.00 70.21 ATOM 145 O SER 9 -6.688 6.411 18.260 1.00 3.03 ATOM 146 N HIS 10 -4.915 6.992 19.519 1.00 22.54 ATOM 147 HN HIS 10 -3.931 7.004 19.602 1.00 37.15 ATOM 148 CA HIS 10 -5.723 7.590 20.576 1.00 41.11 ATOM 149 HA HIS 10 -6.601 6.966 20.716 1.00 42.03 ATOM 150 CB HIS 10 -4.933 7.641 21.884 1.00 11.40 ATOM 151 HB1 HIS 10 -4.247 8.479 21.870 1.00 37.15 ATOM 152 HB2 HIS 10 -4.365 6.727 21.987 1.00 41.11 ATOM 153 CG HIS 10 -5.797 7.769 23.101 1.00 50.43 ATOM 154 ND1 HIS 10 -5.475 8.577 24.171 1.00 22.10 ATOM 155 HD1 HIS 10 -4.672 9.134 24.247 1.00 61.01 ATOM 156 CD2 HIS 10 -6.979 7.188 23.412 1.00 22.25 ATOM 157 HD2 HIS 10 -7.532 6.491 22.798 1.00 71.23 ATOM 158 CE1 HIS 10 -6.420 8.485 25.089 1.00 11.12 ATOM 159 HE1 HIS 10 -6.435 9.006 26.035 1.00 15.32 ATOM 160 NE2 HIS 10 -7.345 7.649 24.653 1.00 22.32 ATOM 161 HE2 HIS 10 -8.202 7.475 25.095 1.00 37.15 ATOM 162 C HIS 10 -6.174 8.994 20.185 1.00 15.11 ATOM 163 O HIS 10 -5.499 9.684 19.422 1.00 23.32 ATOM 164 N MET 11 -7.321 9.410 20.713 1.00 72.13 ATOM 165 HN MET 11 -7.825 8.820 21.318 1.00 37.15 ATOM 166 CA MET 11 -7.862 10.732 20.419 1.00 72.11 ATOM 167 HA MET 11 -8.820 10.815 20.910 1.00 42.45 ATOM 168 CB MET 11 -6.931 11.819 20.958 1.00 2.15 ATOM 169 HB1 MET 11 -7.440 12.770 20.887 1.00 37.15 ATOM 170 HB2 MET 11 -6.033 11.856 20.355 1.00 30.22 ATOM 171 CG MET 11 -6.520 11.604 22.406 1.00 13.02 ATOM 172 HG1 MET 11 -5.976 10.674 22.480 1.00 37.15 ATOM 173 HG2 MET 11 -7.409 11.549 23.016 1.00 45.12 ATOM 174 SD MET 11 -5.474 12.931 23.036 1.00 71.32 ATOM 175 CE MET 11 -5.166 12.356 24.704 1.00 63.10 ATOM 176 HE1 MET 11 -6.104 12.258 25.230 1.00 54.24 ATOM 177 HE2 MET 11 -4.537 13.066 25.219 1.00 15.03 ATOM 178 HE3 MET 11 -4.672 11.396 24.668 1.00 70.41 ATOM 179 C MET 11 -8.062 10.916 18.918 1.00 51.21 ATOM 180 O MET 11 -7.661 11.931 18.349 1.00 61.00 ATOM 181 N ALA 12 -8.684 9.928 18.283 1.00 51.54 ATOM 182 HN ALA 12 -8.995 9.140 18.785 1.00 37.15 ATOM 183 CA ALA 12 -8.938 9.983 16.848 1.00 13.23 ATOM 184 HA ALA 12 -8.489 10.878 16.434 1.00 4.22 ATOM 185 CB ALA 12 -8.299 8.790 16.153 1.00 2.41 ATOM 186 HB1 ALA 12 -7.241 8.775 16.370 1.00 44.42 ATOM 187 HB2 ALA 12 -8.444 8.870 15.085 1.00 50.30 ATOM 188 HB3 ALA 12 -8.751 7.875 16.510 1.00 22.35 ATOM 189 C ALA 12 -10.434 10.028 16.557 1.00 35.13 ATOM 190 O ALA 12 -10.900 9.478 15.559 1.00 52.32 ATOM 191 N LYS 13 -11.184 10.685 17.436 1.00 40.23 ATOM 192 HN LYS 13 -10.769 11.117 18.216 1.00 37.15 ATOM 193 CA LYS 13 -12.628 10.803 17.274 1.00 72.44 ATOM 194 HA LYS 13 -12.924 10.375 16.324 1.00 2.13 ATOM 195 CB LYS 13 -13.351 10.032 18.381 1.00 2.20 ATOM 196 HB1 LYS 13 -14.409 10.232 18.314 1.00 37.15 ATOM 197 HB2 LYS 13 -12.987 10.387 19.336 1.00 1.43 ATOM 198 CG LYS 13 -13.148 8.529 18.308 1.00 22.31 ATOM 199 HG1 LYS 13 -12.094 8.325 18.163 1.00 37.15 ATOM 200 HG2 LYS 13 -13.702 8.139 17.465 1.00 31.31 ATOM 201 CD LYS 13 -13.598 7.843 19.587 1.00 61.41 ATOM 202 HD1 LYS 13 -13.429 8.493 20.437 1.00 37.15 ATOM 203 HD2 LYS 13 -13.021 6.939 19.712 1.00 44.33 ATOM 204 CE LYS 13 -15.072 7.471 19.531 1.00 63.31 ATOM 205 HE1 LYS 13 -15.263 6.720 20.283 1.00 37.15 ATOM 206 HE2 LYS 13 -15.309 7.064 18.556 1.00 2.41 ATOM 207 NZ LYS 13 -15.950 8.644 19.795 1.00 31.34 ATOM 208 HZ1 LYS 13 -16.079 9.197 18.927 1.00 41.10 ATOM 209 HZ2 LYS 13 -15.543 9.260 20.531 1.00 2.11 ATOM 210 HZ3 LYS 13 -16.883 8.317 20.119 1.00 10.55 ATOM 211 C LYS 13 -13.061 12.265 17.292 1.00 44.30 ATOM 212 O LYS 13 -13.698 12.737 18.234 1.00 41.43 ATOM 213 N PRO 14 -12.708 13.001 16.227 1.00 34.11 ATOM 214 CA PRO 14 -13.052 14.420 16.097 1.00 42.03 ATOM 215 HA PRO 14 -12.731 14.987 16.959 1.00 33.33 ATOM 216 CB PRO 14 -12.259 14.865 14.865 1.00 2.14 ATOM 217 HB1 PRO 14 -11.310 15.271 15.181 1.00 37.15 ATOM 218 HB2 PRO 14 -12.800 15.616 14.302 1.00 13.21 ATOM 219 CG PRO 14 -12.066 13.621 14.069 1.00 52.12 ATOM 220 HG1 PRO 14 -11.162 13.696 13.483 1.00 37.15 ATOM 221 HG2 PRO 14 -12.919 13.460 13.426 1.00 52.11 ATOM 222 CD PRO 14 -11.948 12.504 15.068 1.00 33.40 ATOM 223 HD1 PRO 14 -10.913 12.349 15.324 1.00 37.15 ATOM 224 HD2 PRO 14 -12.383 11.601 14.669 1.00 41.25 ATOM 225 C PRO 14 -14.545 14.637 15.876 1.00 42.31 ATOM 226 O PRO 14 -15.328 13.687 15.874 1.00 31.13 ATOM 227 N THR 15 -14.934 15.895 15.689 1.00 71.30 ATOM 228 HN THR 15 -14.266 16.620 15.711 1.00 37.15 ATOM 229 CA THR 15 -16.333 16.237 15.468 1.00 74.22 ATOM 230 HA THR 15 -16.881 15.341 15.196 1.00 60.32 ATOM 231 CB THR 15 -16.978 16.815 16.742 1.00 75.15 ATOM 232 HB THR 15 -16.800 16.131 17.560 1.00 44.41 ATOM 233 OG1 THR 15 -18.390 16.962 16.552 1.00 33.44 ATOM 234 HG1 THR 15 -18.823 16.115 16.684 1.00 42.43 ATOM 235 CG2 THR 15 -16.366 18.162 17.095 1.00 53.15 ATOM 236 HG21 THR 15 -16.723 18.917 16.412 1.00 32.11 ATOM 237 HG22 THR 15 -15.287 18.106 17.040 1.00 44.13 ATOM 238 HG23 THR 15 -16.655 18.429 18.101 1.00 13.31 ATOM 239 C THR 15 -16.480 17.246 14.335 1.00 73.34 ATOM 240 O THR 15 -15.550 17.992 14.031 1.00 61.55 ATOM 241 N ALA 16 -17.655 17.264 13.713 1.00 20.13 ATOM 242 HN ALA 16 -18.370 16.649 14.001 1.00 37.15 ATOM 243 CA ALA 16 -17.924 18.184 12.615 1.00 31.21 ATOM 244 HA ALA 16 -17.003 18.677 12.328 1.00 2.15 ATOM 245 CB ALA 16 -18.412 17.419 11.394 1.00 53.03 ATOM 246 HB1 ALA 16 -19.349 16.929 11.621 1.00 44.20 ATOM 247 HB2 ALA 16 -17.677 16.676 11.121 1.00 55.13 ATOM 248 HB3 ALA 16 -18.553 18.102 10.568 1.00 4.55 ATOM 249 C ALA 16 -18.945 19.241 13.022 1.00 3.13 ATOM 250 O ALA 16 -19.930 18.939 13.695 1.00 15.21 ATOM 251 N ARG 17 -18.701 20.481 12.611 1.00 54.21 ATOM 252 HN ARG 17 -17.887 20.666 12.084 1.00 37.15 ATOM 253 CA ARG 17 -19.599 21.584 12.935 1.00 63.41 ATOM 254 HA ARG 17 -20.617 21.214 12.937 1.00 0.01 ATOM 255 CB ARG 17 -19.274 22.143 14.321 1.00 35.55 ATOM 256 HB1 ARG 17 -19.493 21.384 15.059 1.00 37.15 ATOM 257 HB2 ARG 17 -19.911 22.996 14.518 1.00 11.54 ATOM 258 CG ARG 17 -17.830 22.591 14.475 1.00 53.11 ATOM 259 HG1 ARG 17 -17.804 23.400 15.190 1.00 37.15 ATOM 260 HG2 ARG 17 -17.443 22.948 13.531 1.00 4.04 ATOM 261 CD ARG 17 -16.950 21.466 14.995 1.00 23.32 ATOM 262 HD1 ARG 17 -17.561 20.661 15.381 1.00 37.15 ATOM 263 HD2 ARG 17 -16.340 21.851 15.800 1.00 72.31 ATOM 264 NE ARG 17 -16.077 20.928 13.955 1.00 74.32 ATOM 265 HE ARG 17 -16.251 20.021 13.651 1.00 51.31 ATOM 266 CZ ARG 17 -15.063 21.602 13.425 1.00 22.02 ATOM 267 NH1 ARG 17 -14.794 22.833 13.837 1.00 51.42 ATOM 268 HH11 ARG 17 -15.328 23.280 14.547 1.00 62.31 ATOM 269 HH12 ARG 17 -14.030 23.333 13.424 1.00 23.52 ATOM 270 NH2 ARG 17 -14.314 21.044 12.482 1.00 11.32 ATOM 271 HH21 ARG 17 -14.511 20.113 12.167 1.00 45.14 ATOM 272 HH22 ARG 17 -13.548 21.551 12.080 1.00 10.53 ATOM 273 C ARG 17 -19.497 22.692 11.891 1.00 1.13 ATOM 274 O ARG 17 -18.712 22.601 10.949 1.00 43.14 ATOM 275 N GLY 18 -20.298 23.739 12.067 1.00 23.01 ATOM 276 HN GLY 18 -20.923 23.763 12.825 1.00 37.15 ATOM 277 CA GLY 18 -20.283 24.850 11.133 1.00 22.50 ATOM 278 HA1 GLY 18 -19.281 25.000 10.749 1.00 37.15 ATOM 279 HA2 GLY 18 -20.585 25.743 11.660 1.00 20.25 ATOM 280 C GLY 18 -21.228 24.639 9.967 1.00 12.10 ATOM 281 O GLY 18 -20.904 24.976 8.829 1.00 61.11 ATOM 282 N GLU 19 -22.400 24.079 10.251 1.00 51.12 ATOM 283 HN GLU 19 -22.620 23.854 11.186 1.00 37.15 ATOM 284 CA GLU 19 -23.394 23.822 9.215 1.00 1.21 ATOM 285 HA GLU 19 -22.864 23.532 8.315 1.00 53.53 ATOM 286 CB GLU 19 -24.314 22.674 9.634 1.00 72.20 ATOM 287 HB1 GLU 19 -24.802 22.935 10.562 1.00 37.15 ATOM 288 HB2 GLU 19 -23.715 21.789 9.790 1.00 20.03 ATOM 289 CG GLU 19 -25.386 22.347 8.607 1.00 4.03 ATOM 290 HG1 GLU 19 -26.115 23.144 8.592 1.00 37.15 ATOM 291 HG2 GLU 19 -25.871 21.427 8.897 1.00 42.44 ATOM 292 CD GLU 19 -24.821 22.172 7.211 1.00 54.13 ATOM 293 OE1 GLU 19 -23.798 21.470 7.069 1.00 53.04 ATOM 294 OE2 GLU 19 -25.402 22.737 6.261 1.00 70.04 ATOM 295 C GLU 19 -24.220 25.073 8.932 1.00 53.33 ATOM 296 O GLU 19 -24.695 25.738 9.852 1.00 0.11 ATOM 297 N ALA 20 -24.387 25.388 7.651 1.00 20.32 ATOM 298 HN ALA 20 -23.991 24.819 6.951 1.00 37.15 ATOM 299 CA ALA 20 -25.157 26.557 7.246 1.00 45.33 ATOM 300 HA ALA 20 -25.434 27.131 8.123 1.00 52.04 ATOM 301 CB ALA 20 -24.314 27.462 6.359 1.00 62.01 ATOM 302 HB1 ALA 20 -23.908 26.894 5.537 1.00 64.04 ATOM 303 HB2 ALA 20 -23.502 27.872 6.941 1.00 12.45 ATOM 304 HB3 ALA 20 -24.919 28.273 5.975 1.00 35.01 ATOM 305 C ALA 20 -26.436 26.149 6.524 1.00 53.11 ATOM 306 O ALA 20 -27.529 26.227 7.085 1.00 44.34 ATOM 307 N GLY 21 -26.293 25.714 5.276 1.00 75.23 ATOM 308 HN GLY 21 -25.401 25.625 4.876 1.00 37.15 ATOM 309 CA GLY 21 -27.447 25.301 4.498 1.00 63.24 ATOM 310 HA1 GLY 21 -28.365 25.546 5.018 1.00 37.15 ATOM 311 HA2 GLY 21 -27.407 24.229 4.368 1.00 63.11 ATOM 312 C GLY 21 -27.489 25.956 3.131 1.00 20.32 ATOM 313 O GLY 21 -28.101 27.010 2.959 1.00 32.41 ATOM 314 N SER 22 -26.835 25.331 2.157 1.00 51.21 ATOM 315 HN SER 22 -26.357 24.491 2.358 1.00 37.15 ATOM 316 CA SER 22 -26.796 25.863 0.800 1.00 62.14 ATOM 317 HA SER 22 -27.802 26.141 0.512 1.00 30.22 ATOM 318 CB SER 22 -25.903 27.104 0.741 1.00 64.40 ATOM 319 HB1 SER 22 -24.897 26.839 1.019 1.00 37.15 ATOM 320 HB2 SER 22 -26.280 27.847 1.428 1.00 10.11 ATOM 321 OG SER 22 -25.887 27.660 -0.562 1.00 71.44 ATOM 322 HG SER 22 -25.135 27.319 -1.052 1.00 34.31 ATOM 323 C SER 22 -26.289 24.810 -0.182 1.00 2.43 ATOM 324 O SER 22 -25.781 23.764 0.221 1.00 4.02 ATOM 325 N ARG 23 -26.431 25.096 -1.472 1.00 13.12 ATOM 326 HN ARG 23 -26.838 25.957 -1.733 1.00 37.15 ATOM 327 CA ARG 23 -25.989 24.175 -2.512 1.00 34.34 ATOM 328 HA ARG 23 -26.366 23.187 -2.269 1.00 73.12 ATOM 329 CB ARG 23 -26.550 24.599 -3.870 1.00 60.34 ATOM 330 HB1 ARG 23 -26.020 25.480 -4.214 1.00 37.15 ATOM 331 HB2 ARG 23 -27.596 24.849 -3.749 1.00 34.33 ATOM 332 CG ARG 23 -26.449 23.519 -4.935 1.00 22.41 ATOM 333 HG1 ARG 23 -27.159 22.744 -4.704 1.00 37.15 ATOM 334 HG2 ARG 23 -25.449 23.106 -4.930 1.00 33.52 ATOM 335 CD ARG 23 -26.740 24.073 -6.321 1.00 2.14 ATOM 336 HD1 ARG 23 -26.290 25.054 -6.414 1.00 37.15 ATOM 337 HD2 ARG 23 -27.809 24.163 -6.446 1.00 64.35 ATOM 338 NE ARG 23 -26.200 23.220 -7.376 1.00 74.10 ATOM 339 HE ARG 23 -25.434 23.564 -7.886 1.00 54.42 ATOM 340 CZ ARG 23 -26.689 22.021 -7.673 1.00 61.04 ATOM 341 NH1 ARG 23 -27.722 21.537 -6.999 1.00 34.42 ATOM 342 HH11 ARG 23 -28.165 22.047 -6.274 1.00 1.02 ATOM 343 HH12 ARG 23 -28.071 20.625 -7.226 1.00 12.05 ATOM 344 NH2 ARG 23 -26.144 21.304 -8.648 1.00 4.12 ATOM 345 HH21 ARG 23 -25.363 21.665 -9.162 1.00 25.03 ATOM 346 HH22 ARG 23 -26.511 20.399 -8.874 1.00 22.03 ATOM 347 C ARG 23 -24.466 24.115 -2.574 1.00 1.40 ATOM 348 O ARG 23 -23.874 23.038 -2.516 1.00 22.43 ATOM 349 N ASP 24 -23.838 25.280 -2.693 1.00 52.13 ATOM 350 HN ASP 24 -24.369 26.111 -2.735 1.00 37.15 ATOM 351 CA ASP 24 -22.384 25.361 -2.763 1.00 41.21 ATOM 352 HA ASP 24 -22.050 24.743 -3.588 1.00 21.01 ATOM 353 CB ASP 24 -21.944 26.805 -3.009 1.00 45.13 ATOM 354 HB1 ASP 24 -20.880 26.899 -2.826 1.00 37.15 ATOM 355 HB2 ASP 24 -22.478 27.459 -2.336 1.00 63.31 ATOM 356 CG ASP 24 -22.216 27.259 -4.430 1.00 0.22 ATOM 357 OD1 ASP 24 -23.308 27.811 -4.677 1.00 14.14 ATOM 358 OD2 ASP 24 -21.337 27.062 -5.295 1.00 70.21 ATOM 359 C ASP 24 -21.748 24.834 -1.481 1.00 10.15 ATOM 360 O ASP 24 -20.618 24.348 -1.492 1.00 22.31 ATOM 361 N GLU 25 -22.482 24.936 -0.377 1.00 32.41 ATOM 362 HN GLU 25 -23.366 25.366 -0.413 1.00 37.15 ATOM 363 CA GLU 25 -21.988 24.470 0.914 1.00 51.52 ATOM 364 HA GLU 25 -21.105 25.047 1.161 1.00 31.25 ATOM 365 CB GLU 25 -23.050 24.676 1.996 1.00 55.03 ATOM 366 HB1 GLU 25 -22.959 23.908 2.756 1.00 37.15 ATOM 367 HB2 GLU 25 -24.025 24.592 1.548 1.00 1.00 ATOM 368 CG GLU 25 -22.972 26.032 2.676 1.00 2.31 ATOM 369 HG1 GLU 25 -23.914 26.222 3.170 1.00 37.15 ATOM 370 HG2 GLU 25 -22.800 26.798 1.931 1.00 44.20 ATOM 371 CD GLU 25 -21.866 26.102 3.711 1.00 12.45 ATOM 372 OE1 GLU 25 -21.197 27.154 3.793 1.00 22.44 ATOM 373 OE2 GLU 25 -21.670 25.107 4.439 1.00 30.21 ATOM 374 C GLU 25 -21.593 22.998 0.847 1.00 51.12 ATOM 375 O GLU 25 -20.627 22.574 1.482 1.00 54.02 ATOM 376 N ARG 26 -22.347 22.224 0.073 1.00 32.24 ATOM 377 HN ARG 26 -23.119 22.614 -0.401 1.00 37.15 ATOM 378 CA ARG 26 -22.078 20.799 -0.076 1.00 23.23 ATOM 379 HA ARG 26 -22.229 20.323 0.874 1.00 25.52 ATOM 380 CB ARG 26 -23.039 20.180 -1.093 1.00 5.13 ATOM 381 HB1 ARG 26 -22.770 19.139 -1.235 1.00 37.15 ATOM 382 HB2 ARG 26 -22.933 20.701 -2.034 1.00 3.21 ATOM 383 CG ARG 26 -24.498 20.251 -0.674 1.00 2.35 ATOM 384 HG1 ARG 26 -24.886 21.228 -0.923 1.00 37.15 ATOM 385 HG2 ARG 26 -24.577 20.091 0.393 1.00 2.35 ATOM 386 CD ARG 26 -25.333 19.196 -1.382 1.00 10.31 ATOM 387 HD1 ARG 26 -24.934 18.218 -1.150 1.00 37.15 ATOM 388 HD2 ARG 26 -25.271 19.366 -2.449 1.00 12.50 ATOM 389 NE ARG 26 -26.735 19.243 -0.974 1.00 44.33 ATOM 390 HE ARG 26 -26.982 19.852 -0.239 1.00 71.23 ATOM 391 CZ ARG 26 -27.689 18.510 -1.537 1.00 43.22 ATOM 392 NH1 ARG 26 -27.393 17.678 -2.526 1.00 32.30 ATOM 393 HH11 ARG 26 -26.459 17.584 -2.865 1.00 30.34 ATOM 394 HH12 ARG 26 -28.119 17.129 -2.946 1.00 73.14 ATOM 395 NH2 ARG 26 -28.941 18.609 -1.111 1.00 33.42 ATOM 396 HH21 ARG 26 -29.171 19.236 -0.364 1.00 22.15 ATOM 397 HH22 ARG 26 -29.663 18.057 -1.534 1.00 75.31 ATOM 398 C ARG 26 -20.635 20.561 -0.513 1.00 12.12 ATOM 399 O ARG 26 -20.020 19.562 -0.140 1.00 70.14 ATOM 400 N ARG 27 -20.102 21.486 -1.305 1.00 34.30 ATOM 401 HN ARG 27 -20.645 22.257 -1.588 1.00 37.15 ATOM 402 CA ARG 27 -18.733 21.376 -1.794 1.00 74.11 ATOM 403 HA ARG 27 -18.585 20.363 -2.151 1.00 30.31 ATOM 404 CB ARG 27 -18.498 22.362 -2.939 1.00 43.43 ATOM 405 HB1 ARG 27 -17.808 23.135 -2.624 1.00 37.15 ATOM 406 HB2 ARG 27 -19.433 22.838 -3.208 1.00 51.01 ATOM 407 CG ARG 27 -17.924 21.717 -4.190 1.00 50.54 ATOM 408 HG1 ARG 27 -17.074 21.114 -3.914 1.00 37.15 ATOM 409 HG2 ARG 27 -17.620 22.485 -4.883 1.00 44.33 ATOM 410 CD ARG 27 -18.940 20.809 -4.865 1.00 22.45 ATOM 411 HD1 ARG 27 -19.458 20.213 -4.126 1.00 37.15 ATOM 412 HD2 ARG 27 -18.393 20.152 -5.526 1.00 52.03 ATOM 413 NE ARG 27 -19.918 21.563 -5.643 1.00 40.51 ATOM 414 HE ARG 27 -20.017 22.525 -5.451 1.00 30.04 ATOM 415 CZ ARG 27 -20.681 21.023 -6.586 1.00 54.14 ATOM 416 NH1 ARG 27 -20.580 19.731 -6.866 1.00 54.12 ATOM 417 HH11 ARG 27 -19.941 19.138 -6.382 1.00 3.52 ATOM 418 HH12 ARG 27 -21.159 19.335 -7.582 1.00 53.42 ATOM 419 NH2 ARG 27 -21.548 21.776 -7.252 1.00 35.43 ATOM 420 HH21 ARG 27 -21.629 22.753 -7.045 1.00 65.04 ATOM 421 HH22 ARG 27 -22.125 21.371 -7.964 1.00 53.24 ATOM 422 C ARG 27 -17.733 21.635 -0.672 1.00 24.53 ATOM 423 O ARG 27 -16.613 21.124 -0.695 1.00 32.10 ATOM 424 N ALA 28 -18.144 22.431 0.309 1.00 13.22 ATOM 425 HN ALA 28 -19.032 22.837 0.265 1.00 37.15 ATOM 426 CA ALA 28 -17.285 22.756 1.441 1.00 41.43 ATOM 427 HA ALA 28 -16.301 23.010 1.064 1.00 74.21 ATOM 428 CB ALA 28 -17.825 23.971 2.182 1.00 62.34 ATOM 429 HB1 ALA 28 -17.116 24.280 2.936 1.00 41.25 ATOM 430 HB2 ALA 28 -18.769 23.732 2.650 1.00 45.34 ATOM 431 HB3 ALA 28 -17.971 24.771 1.478 1.00 34.55 ATOM 432 C ALA 28 -17.155 21.570 2.390 1.00 43.01 ATOM 433 O ALA 28 -16.057 21.057 2.612 1.00 0.45 ATOM 434 N LEU 29 -18.280 21.138 2.948 1.00 54.35 ATOM 435 HN LEU 29 -19.119 21.613 2.749 1.00 37.15 ATOM 436 CA LEU 29 -18.292 20.012 3.874 1.00 31.32 ATOM 437 HA LEU 29 -17.698 20.281 4.736 1.00 70.22 ATOM 438 CB LEU 29 -19.722 19.718 4.333 1.00 64.35 ATOM 439 HB1 LEU 29 -19.975 20.469 5.070 1.00 37.15 ATOM 440 HB2 LEU 29 -19.727 18.757 4.839 1.00 42.20 ATOM 441 CG LEU 29 -20.791 19.724 3.240 1.00 15.51 ATOM 442 HG LEU 29 -20.353 19.959 2.282 1.00 72.02 ATOM 443 CD1 LEU 29 -21.428 18.350 3.108 1.00 71.32 ATOM 444 HD11 LEU 29 -22.165 18.366 2.316 1.00 2.42 ATOM 445 HD12 LEU 29 -21.908 18.078 4.038 1.00 24.44 ATOM 446 HD13 LEU 29 -20.667 17.619 2.871 1.00 55.51 ATOM 447 CD2 LEU 29 -21.849 20.778 3.536 1.00 72.20 ATOM 448 HD21 LEU 29 -21.384 21.750 3.611 1.00 41.42 ATOM 449 HD22 LEU 29 -22.336 20.547 4.474 1.00 1.25 ATOM 450 HD23 LEU 29 -22.587 20.795 2.752 1.00 4.41 ATOM 451 C LEU 29 -17.687 18.769 3.229 1.00 53.15 ATOM 452 O LEU 29 -17.037 17.965 3.896 1.00 73.14 ATOM 453 N ALA 30 -17.904 18.620 1.926 1.00 54.42 ATOM 454 HN ALA 30 -18.444 19.287 1.441 1.00 37.15 ATOM 455 CA ALA 30 -17.377 17.479 1.189 1.00 32.51 ATOM 456 HA ALA 30 -17.769 16.576 1.639 1.00 41.25 ATOM 457 CB ALA 30 -17.845 17.522 -0.258 1.00 51.50 ATOM 458 HB1 ALA 30 -18.917 17.406 -0.290 1.00 13.45 ATOM 459 HB2 ALA 30 -17.384 16.719 -0.819 1.00 31.45 ATOM 460 HB3 ALA 30 -17.573 18.470 -0.697 1.00 40.32 ATOM 461 C ALA 30 -15.854 17.439 1.254 1.00 51.24 ATOM 462 O ALA 30 -15.250 16.367 1.229 1.00 51.44 ATOM 463 N MET 31 -15.240 18.615 1.336 1.00 65.30 ATOM 464 HN MET 31 -15.764 19.446 1.341 1.00 37.15 ATOM 465 CA MET 31 -13.786 18.713 1.404 1.00 11.55 ATOM 466 HA MET 31 -13.351 17.787 1.056 1.00 43.33 ATOM 467 CB MET 31 -13.289 19.860 0.522 1.00 14.31 ATOM 468 HB1 MET 31 -12.231 20.010 0.685 1.00 37.15 ATOM 469 HB2 MET 31 -13.814 20.761 0.805 1.00 60.32 ATOM 470 CG MET 31 -13.521 19.629 -0.962 1.00 53.33 ATOM 471 HG1 MET 31 -13.225 20.500 -1.501 1.00 37.15 ATOM 472 HG2 MET 31 -14.570 19.441 -1.132 1.00 13.54 ATOM 473 SD MET 31 -12.573 18.237 -1.605 1.00 43.22 ATOM 474 CE MET 31 -10.913 18.909 -1.560 1.00 60.14 ATOM 475 HE1 MET 31 -10.829 19.707 -2.283 1.00 20.03 ATOM 476 HE2 MET 31 -10.202 18.131 -1.797 1.00 25.23 ATOM 477 HE3 MET 31 -10.711 19.292 -0.579 1.00 45.42 ATOM 478 C MET 31 -13.323 18.925 2.842 1.00 2.33 ATOM 479 O MET 31 -12.127 18.885 3.132 1.00 0.25 ATOM 480 N LYS 32 -14.277 19.151 3.739 1.00 4.13 ATOM 481 HN LYS 32 -15.203 19.204 3.470 1.00 37.15 ATOM 482 CA LYS 32 -13.967 19.368 5.148 1.00 53.45 ATOM 483 HA LYS 32 -14.900 19.483 5.679 1.00 31.32 ATOM 484 CB LYS 32 -13.215 18.164 5.718 1.00 73.45 ATOM 485 HB1 LYS 32 -13.177 18.265 6.793 1.00 37.15 ATOM 486 HB2 LYS 32 -12.203 18.151 5.336 1.00 35.44 ATOM 487 CG LYS 32 -13.867 16.831 5.393 1.00 70.41 ATOM 488 HG1 LYS 32 -13.969 16.732 4.322 1.00 37.15 ATOM 489 HG2 LYS 32 -14.844 16.802 5.852 1.00 40.44 ATOM 490 CD LYS 32 -13.042 15.665 5.913 1.00 52.20 ATOM 491 HD1 LYS 32 -12.930 15.761 6.985 1.00 37.15 ATOM 492 HD2 LYS 32 -12.068 15.686 5.444 1.00 4.03 ATOM 493 CE LYS 32 -13.706 14.332 5.606 1.00 34.44 ATOM 494 HE1 LYS 32 -14.129 14.360 4.609 1.00 37.15 ATOM 495 HE2 LYS 32 -14.494 14.164 6.324 1.00 35.13 ATOM 496 NZ LYS 32 -12.740 13.201 5.679 1.00 41.11 ATOM 497 HZ1 LYS 32 -12.329 13.137 6.634 1.00 33.30 ATOM 498 HZ2 LYS 32 -11.971 13.336 4.990 1.00 1.15 ATOM 499 HZ3 LYS 32 -13.225 12.306 5.464 1.00 11.23 ATOM 500 C LYS 32 -13.136 20.634 5.333 1.00 32.10 ATOM 501 O LYS 32 -12.003 20.579 5.812 1.00 70.33 ATOM 502 N ILE 33 -13.707 21.772 4.953 1.00 42.02 ATOM 503 HN ILE 33 -14.623 21.756 4.586 1.00 37.15 ATOM 504 CA ILE 33 -13.019 23.051 5.080 1.00 21.32 ATOM 505 HA ILE 33 -11.982 22.877 4.846 1.00 33.32 ATOM 506 CB ILE 33 -13.570 24.088 4.084 1.00 63.02 ATOM 507 HB ILE 33 -14.610 24.271 4.318 1.00 43.34 ATOM 508 CG1 ILE 33 -13.471 23.555 2.653 1.00 50.41 ATOM 509 HG11 ILE 33 -13.930 24.266 1.981 1.00 37.15 ATOM 510 HG12 ILE 33 -13.996 22.614 2.576 1.00 54.33 ATOM 511 CG2 ILE 33 -12.817 25.403 4.218 1.00 11.34 ATOM 512 HG21 ILE 33 -11.773 25.263 4.005 1.00 14.34 ATOM 513 HG22 ILE 33 -12.925 25.784 5.204 1.00 34.05 ATOM 514 HG23 ILE 33 -13.225 26.121 3.520 1.00 35.30 ATOM 515 CD1 ILE 33 -12.049 23.334 2.187 1.00 1.41 ATOM 516 HD11 ILE 33 -12.069 22.900 1.198 1.00 1.41 ATOM 517 HD12 ILE 33 -11.536 22.661 2.853 1.00 52.23 ATOM 518 HD13 ILE 33 -11.523 24.274 2.145 1.00 23.33 ATOM 519 C ILE 33 -13.146 23.605 6.495 1.00 25.53 ATOM 520 O ILE 33 -14.227 23.635 7.082 1.00 14.12 ATOM 521 N PRO 34 -12.014 24.055 7.058 1.00 53.23 ATOM 522 CA PRO 34 -11.973 24.619 8.410 1.00 23.12 ATOM 523 HA PRO 34 -12.408 23.945 9.135 1.00 3.14 ATOM 524 CB PRO 34 -10.475 24.771 8.685 1.00 4.12 ATOM 525 HB1 PRO 34 -10.116 23.891 9.196 1.00 37.15 ATOM 526 HB2 PRO 34 -10.281 25.645 9.295 1.00 62.43 ATOM 527 CG PRO 34 -9.853 24.895 7.337 1.00 23.31 ATOM 528 HG1 PRO 34 -8.841 24.521 7.365 1.00 37.15 ATOM 529 HG2 PRO 34 -9.862 25.912 7.027 1.00 31.33 ATOM 530 CD PRO 34 -10.689 24.050 6.416 1.00 22.43 ATOM 531 HD1 PRO 34 -10.291 23.047 6.365 1.00 37.15 ATOM 532 HD2 PRO 34 -10.708 24.490 5.445 1.00 12.32 ATOM 533 C PRO 34 -12.670 25.972 8.496 1.00 52.21 ATOM 534 O PRO 34 -13.378 26.257 9.462 1.00 33.20 ATOM 535 N PHE 35 -12.466 26.803 7.479 1.00 1.44 ATOM 536 HN PHE 35 -11.928 26.506 6.729 1.00 37.15 ATOM 537 CA PHE 35 -13.075 28.128 7.440 1.00 31.34 ATOM 538 HA PHE 35 -13.324 28.413 8.454 1.00 4.11 ATOM 539 CB PHE 35 -12.084 29.152 6.885 1.00 42.24 ATOM 540 HB1 PHE 35 -11.305 29.310 7.620 1.00 37.15 ATOM 541 HB2 PHE 35 -12.585 30.095 6.711 1.00 13.03 ATOM 542 CG PHE 35 -11.436 28.723 5.599 1.00 0.32 ATOM 543 CD1 PHE 35 -10.215 28.068 5.608 1.00 34.53 ATOM 544 HD1 PHE 35 -9.722 27.874 6.548 1.00 13.13 ATOM 545 CD2 PHE 35 -12.048 28.975 4.382 1.00 43.42 ATOM 546 HD2 PHE 35 -12.998 29.486 4.358 1.00 12.40 ATOM 547 CE1 PHE 35 -9.617 27.673 4.427 1.00 61.42 ATOM 548 HE1 PHE 35 -8.669 27.163 4.452 1.00 22.23 ATOM 549 CE2 PHE 35 -11.454 28.582 3.197 1.00 11.40 ATOM 550 HE2 PHE 35 -11.929 28.777 2.262 1.00 33.22 ATOM 551 CZ PHE 35 -10.238 27.929 3.220 1.00 45.22 ATOM 552 HZ PHE 35 -9.772 27.622 2.297 1.00 23.04 ATOM 553 C PHE 35 -14.343 28.118 6.592 1.00 53.21 ATOM 554 O PHE 35 -14.524 27.279 5.710 1.00 60.34 ATOM 555 N PRO 36 -15.244 29.074 6.864 1.00 31.14 ATOM 556 CA PRO 36 -16.511 29.198 6.138 1.00 73.30 ATOM 557 HA PRO 36 -17.063 28.268 6.147 1.00 71.34 ATOM 558 CB PRO 36 -17.277 30.255 6.937 1.00 3.15 ATOM 559 HB1 PRO 36 -17.908 29.765 7.663 1.00 37.15 ATOM 560 HB2 PRO 36 -17.889 30.866 6.284 1.00 61.31 ATOM 561 CG PRO 36 -16.219 31.062 7.608 1.00 31.35 ATOM 562 HG1 PRO 36 -16.602 31.485 8.524 1.00 37.15 ATOM 563 HG2 PRO 36 -15.889 31.832 6.951 1.00 60.31 ATOM 564 CD PRO 36 -15.095 30.108 7.903 1.00 64.45 ATOM 565 HD1 PRO 36 -15.212 29.683 8.889 1.00 37.15 ATOM 566 HD2 PRO 36 -14.155 30.620 7.825 1.00 41.31 ATOM 567 C PRO 36 -16.312 29.660 4.699 1.00 65.45 ATOM 568 O PRO 36 -15.309 30.297 4.373 1.00 54.21 ATOM 569 N THR 37 -17.272 29.334 3.839 1.00 50.53 ATOM 570 HN THR 37 -18.061 28.838 4.163 1.00 37.15 ATOM 571 CA THR 37 -17.201 29.715 2.434 1.00 52.43 ATOM 572 HA THR 37 -16.216 29.481 2.070 1.00 50.11 ATOM 573 CB THR 37 -18.222 28.932 1.587 1.00 22.31 ATOM 574 HB THR 37 -18.066 29.172 0.543 1.00 63.41 ATOM 575 OG1 THR 37 -19.554 29.302 1.959 1.00 51.21 ATOM 576 HG1 THR 37 -20.152 29.141 1.224 1.00 21.13 ATOM 577 CG2 THR 37 -18.038 27.433 1.768 1.00 24.41 ATOM 578 HG21 THR 37 -18.732 26.909 1.128 1.00 51.34 ATOM 579 HG22 THR 37 -18.228 27.163 2.796 1.00 33.23 ATOM 580 HG23 THR 37 -17.027 27.155 1.503 1.00 34.04 ATOM 581 C THR 37 -17.450 31.209 2.256 1.00 73.33 ATOM 582 O THR 37 -16.835 31.853 1.406 1.00 11.43 ATOM 583 N ASP 38 -18.355 31.753 3.062 1.00 70.01 ATOM 584 HN ASP 38 -18.816 31.186 3.722 1.00 37.15 ATOM 585 CA ASP 38 -18.684 33.172 2.994 1.00 12.04 ATOM 586 HA ASP 38 -19.078 33.378 2.008 1.00 3.22 ATOM 587 CB ASP 38 -19.750 33.520 4.034 1.00 13.13 ATOM 588 HB1 ASP 38 -20.029 34.559 3.925 1.00 37.15 ATOM 589 HB2 ASP 38 -19.350 33.360 5.026 1.00 3.12 ATOM 590 CG ASP 38 -21.000 32.674 3.888 1.00 24.23 ATOM 591 OD1 ASP 38 -21.032 31.562 4.456 1.00 53.10 ATOM 592 OD2 ASP 38 -21.944 33.123 3.206 1.00 74.43 ATOM 593 C ASP 38 -17.442 34.029 3.215 1.00 3.11 ATOM 594 O ASP 38 -17.304 35.104 2.631 1.00 44.03 ATOM 595 N LYS 39 -16.540 33.547 4.063 1.00 25.01 ATOM 596 HN LYS 39 -16.705 32.686 4.514 1.00 37.15 ATOM 597 CA LYS 39 -15.308 34.268 4.362 1.00 63.40 ATOM 598 HA LYS 39 -15.560 35.284 4.618 1.00 52.12 ATOM 599 CB LYS 39 -14.598 33.631 5.559 1.00 12.44 ATOM 600 HB1 LYS 39 -14.392 32.593 5.340 1.00 37.15 ATOM 601 HB2 LYS 39 -15.264 33.689 6.408 1.00 1.32 ATOM 602 CG LYS 39 -13.294 34.317 5.928 1.00 63.32 ATOM 603 HG1 LYS 39 -13.434 35.388 5.917 1.00 37.15 ATOM 604 HG2 LYS 39 -12.558 34.039 5.195 1.00 63.22 ATOM 605 CD LYS 39 -12.797 33.873 7.294 1.00 60.25 ATOM 606 HD1 LYS 39 -11.717 33.842 7.271 1.00 37.15 ATOM 607 HD2 LYS 39 -13.175 32.884 7.525 1.00 43.35 ATOM 608 CE LYS 39 -13.230 34.839 8.385 1.00 10.33 ATOM 609 HE1 LYS 39 -14.219 35.221 8.161 1.00 37.15 ATOM 610 HE2 LYS 39 -12.530 35.659 8.419 1.00 42.44 ATOM 611 NZ LYS 39 -13.268 34.185 9.722 1.00 21.24 ATOM 612 HZ1 LYS 39 -12.324 33.824 9.976 1.00 21.40 ATOM 613 HZ2 LYS 39 -13.942 33.391 9.718 1.00 43.11 ATOM 614 HZ3 LYS 39 -13.568 34.872 10.444 1.00 61.02 ATOM 615 C LYS 39 -14.377 34.279 3.153 1.00 31.05 ATOM 616 O LYS 39 -13.540 35.171 3.011 1.00 12.05 ATOM 617 N ILE 40 -14.530 33.285 2.286 1.00 62.45 ATOM 618 HN ILE 40 -15.203 32.599 2.451 1.00 37.15 ATOM 619 CA ILE 40 -13.705 33.183 1.088 1.00 24.23 ATOM 620 HA ILE 40 -12.664 33.227 1.389 1.00 22.33 ATOM 621 CB ILE 40 -13.939 31.849 0.355 1.00 50.13 ATOM 622 HB ILE 40 -14.970 31.803 0.046 1.00 75.35 ATOM 623 CG1 ILE 40 -13.640 30.671 1.284 1.00 3.12 ATOM 624 HG11 ILE 40 -14.217 30.765 2.191 1.00 37.15 ATOM 625 HG12 ILE 40 -12.591 30.674 1.535 1.00 51.15 ATOM 626 CG2 ILE 40 -13.078 31.775 -0.897 1.00 71.14 ATOM 627 HG21 ILE 40 -12.381 32.593 -0.936 1.00 64.21 ATOM 628 HG22 ILE 40 -13.725 31.832 -1.756 1.00 40.45 ATOM 629 HG23 ILE 40 -12.527 30.848 -0.943 1.00 50.22 ATOM 630 CD1 ILE 40 -13.970 29.325 0.679 1.00 63.31 ATOM 631 HD11 ILE 40 -14.978 29.340 0.289 1.00 2.44 ATOM 632 HD12 ILE 40 -13.898 28.562 1.438 1.00 43.03 ATOM 633 HD13 ILE 40 -13.286 29.101 -0.118 1.00 25.01 ATOM 634 C ILE 40 -13.984 34.334 0.128 1.00 12.14 ATOM 635 O ILE 40 -13.081 34.826 -0.548 1.00 41.01 ATOM 636 N VAL 41 -15.242 34.761 0.075 1.00 1.13 ATOM 637 HN VAL 41 -15.934 34.324 0.623 1.00 37.15 ATOM 638 CA VAL 41 -15.641 35.857 -0.799 1.00 40.15 ATOM 639 HA VAL 41 -14.908 35.958 -1.594 1.00 0.13 ATOM 640 CB VAL 41 -17.010 35.585 -1.452 1.00 24.04 ATOM 641 HB VAL 41 -17.770 35.591 -0.681 1.00 21.23 ATOM 642 CG1 VAL 41 -17.347 36.673 -2.459 1.00 40.32 ATOM 643 HG11 VAL 41 -16.543 36.771 -3.176 1.00 12.12 ATOM 644 HG12 VAL 41 -17.493 37.613 -1.951 1.00 51.42 ATOM 645 HG13 VAL 41 -18.258 36.415 -2.982 1.00 41.10 ATOM 646 CG2 VAL 41 -17.022 34.214 -2.111 1.00 1.12 ATOM 647 HG21 VAL 41 -16.297 34.189 -2.910 1.00 65.03 ATOM 648 HG22 VAL 41 -18.005 34.023 -2.509 1.00 61.50 ATOM 649 HG23 VAL 41 -16.785 33.450 -1.385 1.00 74.41 ATOM 650 C VAL 41 -15.708 37.174 -0.035 1.00 4.33 ATOM 651 O VAL 41 -15.523 38.247 -0.608 1.00 65.34 ATOM 652 N ASN 42 -15.973 37.085 1.265 1.00 41.14 ATOM 653 HN ASN 42 -16.125 36.204 1.675 1.00 37.15 ATOM 654 CA ASN 42 -16.064 38.271 2.109 1.00 31.52 ATOM 655 HA ASN 42 -16.715 38.988 1.619 1.00 10.43 ATOM 656 CB ASN 42 -16.649 37.905 3.475 1.00 51.30 ATOM 657 HB1 ASN 42 -16.274 38.589 4.228 1.00 37.15 ATOM 658 HB2 ASN 42 -16.357 36.911 3.742 1.00 63.53 ATOM 659 CG ASN 42 -18.163 37.990 3.497 1.00 71.43 ATOM 660 OD1 ASN 42 -18.752 38.551 4.421 1.00 65.11 ATOM 661 ND2 ASN 42 -18.801 37.430 2.475 1.00 33.04 ATOM 662 HD21 ASN 42 -18.301 36.986 1.765 1.00 53.12 ATOM 663 HD22 ASN 42 -19.779 37.487 2.474 1.00 54.42 ATOM 664 C ASN 42 -14.694 38.918 2.287 1.00 54.50 ATOM 665 O ASN 42 -14.551 40.136 2.167 1.00 0.04 ATOM 666 N LEU 43 -13.690 38.097 2.573 1.00 52.15 ATOM 667 HN LEU 43 -13.865 37.130 2.662 1.00 37.15 ATOM 668 CA LEU 43 -12.331 38.589 2.766 1.00 4.23 ATOM 669 HA LEU 43 -12.383 39.376 3.499 1.00 62.44 ATOM 670 CB LEU 43 -11.427 37.464 3.273 1.00 70.42 ATOM 671 HB1 LEU 43 -10.401 37.681 3.001 1.00 37.15 ATOM 672 HB2 LEU 43 -11.708 36.558 2.760 1.00 4.23 ATOM 673 CG LEU 43 -11.464 37.199 4.778 1.00 12.13 ATOM 674 HG LEU 43 -12.485 37.031 5.077 1.00 65.31 ATOM 675 CD1 LEU 43 -10.657 35.957 5.122 1.00 3.12 ATOM 676 HD11 LEU 43 -9.605 36.147 4.957 1.00 44.21 ATOM 677 HD12 LEU 43 -10.968 35.133 4.497 1.00 14.23 ATOM 678 HD13 LEU 43 -10.816 35.701 6.159 1.00 52.10 ATOM 679 CD2 LEU 43 -10.943 38.406 5.545 1.00 64.31 ATOM 680 HD21 LEU 43 -9.908 38.581 5.292 1.00 45.13 ATOM 681 HD22 LEU 43 -11.019 38.214 6.606 1.00 53.04 ATOM 682 HD23 LEU 43 -11.525 39.281 5.308 1.00 42.54 ATOM 683 C LEU 43 -11.769 39.163 1.469 1.00 31.23 ATOM 684 O LEU 43 -12.236 38.855 0.372 1.00 11.53 ATOM 685 N PRO 44 -10.741 40.015 1.595 1.00 10.10 ATOM 686 CA PRO 44 -10.092 40.647 0.443 1.00 5.40 ATOM 687 HA PRO 44 -10.809 41.150 -0.190 1.00 30.44 ATOM 688 CB PRO 44 -9.160 41.679 1.083 1.00 3.24 ATOM 689 HB1 PRO 44 -9.666 42.631 1.137 1.00 37.15 ATOM 690 HB2 PRO 44 -8.249 41.788 0.506 1.00 71.11 ATOM 691 CG PRO 44 -8.883 41.145 2.446 1.00 4.23 ATOM 692 HG1 PRO 44 -8.658 41.953 3.126 1.00 37.15 ATOM 693 HG2 PRO 44 -8.069 40.472 2.379 1.00 51.33 ATOM 694 CD PRO 44 -10.133 40.427 2.872 1.00 72.34 ATOM 695 HD1 PRO 44 -10.787 41.093 3.416 1.00 37.15 ATOM 696 HD2 PRO 44 -9.870 39.591 3.468 1.00 71.45 ATOM 697 C PRO 44 -9.292 39.652 -0.390 1.00 65.20 ATOM 698 O PRO 44 -9.118 38.497 0.001 1.00 11.53 ATOM 699 N VAL 45 -8.805 40.106 -1.541 1.00 34.11 ATOM 700 HN VAL 45 -8.981 41.041 -1.801 1.00 37.15 ATOM 701 CA VAL 45 -8.022 39.255 -2.429 1.00 10.13 ATOM 702 HA VAL 45 -8.565 38.326 -2.571 1.00 34.42 ATOM 703 CB VAL 45 -7.822 39.915 -3.806 1.00 63.10 ATOM 704 HB VAL 45 -8.788 40.221 -4.180 1.00 42.52 ATOM 705 CG1 VAL 45 -6.946 41.153 -3.683 1.00 60.51 ATOM 706 HG11 VAL 45 -6.956 41.685 -4.623 1.00 55.21 ATOM 707 HG12 VAL 45 -5.928 40.874 -3.450 1.00 70.23 ATOM 708 HG13 VAL 45 -7.326 41.803 -2.908 1.00 24.52 ATOM 709 CG2 VAL 45 -7.221 38.922 -4.790 1.00 1.14 ATOM 710 HG21 VAL 45 -7.198 39.366 -5.775 1.00 62.31 ATOM 711 HG22 VAL 45 -7.825 38.027 -4.818 1.00 5.50 ATOM 712 HG23 VAL 45 -6.214 38.666 -4.493 1.00 33.34 ATOM 713 C VAL 45 -6.658 38.940 -1.825 1.00 60.44 ATOM 714 O VAL 45 -6.044 37.923 -2.151 1.00 1.44 ATOM 715 N ASP 46 -6.190 39.817 -0.945 1.00 3.03 ATOM 716 HN ASP 46 -6.718 40.617 -0.724 1.00 37.15 ATOM 717 CA ASP 46 -4.898 39.632 -0.294 1.00 31.25 ATOM 718 HA ASP 46 -4.197 39.253 -1.031 1.00 45.22 ATOM 719 CB ASP 46 -4.385 40.963 0.257 1.00 0.22 ATOM 720 HB1 ASP 46 -3.985 40.824 1.255 1.00 37.15 ATOM 721 HB2 ASP 46 -5.194 41.678 0.308 1.00 1.42 ATOM 722 CG ASP 46 -3.287 41.560 -0.601 1.00 55.54 ATOM 723 OD1 ASP 46 -3.423 41.531 -1.842 1.00 53.22 ATOM 724 OD2 ASP 46 -2.292 42.056 -0.032 1.00 52.45 ATOM 725 C ASP 46 -4.999 38.607 0.832 1.00 62.43 ATOM 726 O ASP 46 -4.355 37.558 0.789 1.00 1.10 ATOM 727 N ASP 47 -5.810 38.917 1.837 1.00 5.21 ATOM 728 HN ASP 47 -6.290 39.773 1.814 1.00 37.15 ATOM 729 CA ASP 47 -5.995 38.023 2.974 1.00 3.22 ATOM 730 HA ASP 47 -5.061 37.976 3.516 1.00 45.22 ATOM 731 CB ASP 47 -7.085 38.562 3.902 1.00 44.30 ATOM 732 HB1 ASP 47 -7.241 37.862 4.713 1.00 37.15 ATOM 733 HB2 ASP 47 -8.000 38.666 3.349 1.00 4.01 ATOM 734 CG ASP 47 -6.719 39.904 4.506 1.00 30.23 ATOM 735 OD1 ASP 47 -7.550 40.467 5.249 1.00 34.44 ATOM 736 OD2 ASP 47 -5.601 40.390 4.237 1.00 12.40 ATOM 737 C ASP 47 -6.357 36.617 2.507 1.00 52.15 ATOM 738 O ASP 47 -5.908 35.625 3.081 1.00 11.34 ATOM 739 N PHE 48 -7.173 36.539 1.461 1.00 73.13 ATOM 740 HN PHE 48 -7.516 37.366 1.047 1.00 37.15 ATOM 741 CA PHE 48 -7.598 35.254 0.917 1.00 52.32 ATOM 742 HA PHE 48 -8.115 34.713 1.697 1.00 31.33 ATOM 743 CB PHE 48 -8.558 35.465 -0.256 1.00 42.31 ATOM 744 HB1 PHE 48 -8.115 36.171 -0.947 1.00 37.15 ATOM 745 HB2 PHE 48 -9.484 35.878 0.122 1.00 63.40 ATOM 746 CG PHE 48 -8.885 34.201 -0.998 1.00 33.13 ATOM 747 CD1 PHE 48 -8.489 34.032 -2.315 1.00 21.05 ATOM 748 HD1 PHE 48 -7.938 34.818 -2.812 1.00 4.02 ATOM 749 CD2 PHE 48 -9.590 33.181 -0.378 1.00 41.40 ATOM 750 HD2 PHE 48 -9.906 33.297 0.650 1.00 4.02 ATOM 751 CE1 PHE 48 -8.788 32.869 -3.000 1.00 13.52 ATOM 752 HE1 PHE 48 -8.474 32.750 -4.026 1.00 42.31 ATOM 753 CE2 PHE 48 -9.892 32.017 -1.058 1.00 22.30 ATOM 754 HE2 PHE 48 -10.440 31.247 -0.560 1.00 60.31 ATOM 755 CZ PHE 48 -9.492 31.861 -2.371 1.00 24.02 ATOM 756 HZ PHE 48 -9.727 30.951 -2.904 1.00 21.20 ATOM 757 C PHE 48 -6.396 34.431 0.463 1.00 0.32 ATOM 758 O PHE 48 -6.247 33.270 0.842 1.00 42.42 ATOM 759 N ASN 49 -5.542 35.042 -0.351 1.00 44.32 ATOM 760 HN ASN 49 -5.719 35.975 -0.624 1.00 37.15 ATOM 761 CA ASN 49 -4.353 34.367 -0.858 1.00 63.41 ATOM 762 HA ASN 49 -4.677 33.562 -1.504 1.00 71.24 ATOM 763 CB ASN 49 -3.487 35.343 -1.656 1.00 4.50 ATOM 764 HB1 ASN 49 -2.484 34.943 -1.757 1.00 37.15 ATOM 765 HB2 ASN 49 -3.437 36.285 -1.128 1.00 11.43 ATOM 766 CG ASN 49 -4.029 35.591 -3.050 1.00 60.04 ATOM 767 OD1 ASN 49 -4.544 34.680 -3.699 1.00 12.12 ATOM 768 ND2 ASN 49 -3.915 36.828 -3.518 1.00 42.54 ATOM 769 HD21 ASN 49 -3.494 37.517 -2.956 1.00 40.21 ATOM 770 HD22 ASN 49 -4.260 37.008 -4.417 1.00 3.51 ATOM 771 C ASN 49 -3.540 33.765 0.284 1.00 1.35 ATOM 772 O ASN 49 -2.915 32.717 0.129 1.00 32.44 ATOM 773 N GLU 50 -3.554 34.437 1.431 1.00 13.34 ATOM 774 HN GLU 50 -4.051 35.284 1.500 1.00 37.15 ATOM 775 CA GLU 50 -2.818 33.969 2.600 1.00 73.12 ATOM 776 HA GLU 50 -1.908 33.481 2.265 1.00 50.32 ATOM 777 CB GLU 50 -2.442 35.148 3.499 1.00 22.15 ATOM 778 HB1 GLU 50 -2.128 34.780 4.470 1.00 37.15 ATOM 779 HB2 GLU 50 -3.315 35.771 3.633 1.00 22.41 ATOM 780 CG GLU 50 -1.331 36.016 2.933 1.00 64.54 ATOM 781 HG1 GLU 50 -1.360 36.975 3.429 1.00 37.15 ATOM 782 HG2 GLU 50 -1.491 36.159 1.873 1.00 1.01 ATOM 783 CD GLU 50 0.045 35.411 3.140 1.00 13.51 ATOM 784 OE1 GLU 50 0.556 34.763 2.204 1.00 71.14 ATOM 785 OE2 GLU 50 0.610 35.588 4.240 1.00 74.01 ATOM 786 C GLU 50 -3.640 32.954 3.390 1.00 40.33 ATOM 787 O GLU 50 -3.090 32.103 4.090 1.00 50.10 ATOM 788 N LEU 51 -4.960 33.051 3.273 1.00 43.34 ATOM 789 HN LEU 51 -5.347 33.774 2.744 1.00 37.15 ATOM 790 CA LEU 51 -5.859 32.143 3.976 1.00 60.13 ATOM 791 HA LEU 51 -5.638 32.200 5.029 1.00 74.00 ATOM 792 CB LEU 51 -7.313 32.567 3.762 1.00 31.15 ATOM 793 HB1 LEU 51 -7.525 32.500 2.704 1.00 37.15 ATOM 794 HB2 LEU 51 -7.407 33.604 4.056 1.00 10.13 ATOM 795 CG LEU 51 -8.367 31.751 4.512 1.00 71.35 ATOM 796 HG LEU 51 -8.198 30.698 4.341 1.00 11.42 ATOM 797 CD1 LEU 51 -8.271 32.000 6.009 1.00 41.44 ATOM 798 HD11 LEU 51 -9.020 31.413 6.523 1.00 3.15 ATOM 799 HD12 LEU 51 -8.434 33.049 6.217 1.00 11.13 ATOM 800 HD13 LEU 51 -7.291 31.713 6.363 1.00 64.54 ATOM 801 CD2 LEU 51 -9.762 32.084 4.002 1.00 45.32 ATOM 802 HD21 LEU 51 -9.820 31.874 2.943 1.00 13.30 ATOM 803 HD22 LEU 51 -9.973 33.131 4.171 1.00 73.52 ATOM 804 HD23 LEU 51 -10.493 31.482 4.525 1.00 42.24 ATOM 805 C LEU 51 -5.662 30.706 3.502 1.00 4.41 ATOM 806 O LEU 51 -5.896 29.757 4.251 1.00 63.22 ATOM 807 N LEU 52 -5.228 30.554 2.256 1.00 44.42 ATOM 808 HN LEU 52 -5.076 31.345 1.689 1.00 37.15 ATOM 809 CA LEU 52 -4.996 29.233 1.682 1.00 2.22 ATOM 810 HA LEU 52 -5.881 28.654 1.841 1.00 24.44 ATOM 811 CB LEU 52 -4.738 29.346 0.179 1.00 51.44 ATOM 812 HB1 LEU 52 -4.409 28.390 -0.182 1.00 37.15 ATOM 813 HB2 LEU 52 -3.931 30.054 0.041 1.00 62.52 ATOM 814 CG LEU 52 -5.925 29.796 -0.674 1.00 12.32 ATOM 815 HG LEU 52 -6.347 30.695 -0.247 1.00 14.20 ATOM 816 CD1 LEU 52 -5.474 30.119 -2.090 1.00 22.52 ATOM 817 HD11 LEU 52 -5.078 29.234 -2.561 1.00 33.50 ATOM 818 HD12 LEU 52 -4.709 30.883 -2.062 1.00 2.31 ATOM 819 HD13 LEU 52 -6.316 30.483 -2.663 1.00 20.55 ATOM 820 CD2 LEU 52 -7.008 28.727 -0.687 1.00 64.25 ATOM 821 HD21 LEU 52 -6.589 27.784 -1.013 1.00 41.33 ATOM 822 HD22 LEU 52 -7.791 29.021 -1.368 1.00 35.04 ATOM 823 HD23 LEU 52 -7.417 28.616 0.305 1.00 72.42 ATOM 824 C LEU 52 -3.817 28.544 2.361 1.00 23.03 ATOM 825 O LEU 52 -3.881 27.359 2.687 1.00 73.01 ATOM 826 N ALA 53 -2.741 29.295 2.574 1.00 51.13 ATOM 827 HN ALA 53 -2.744 30.241 2.294 1.00 37.15 ATOM 828 CA ALA 53 -1.549 28.758 3.218 1.00 72.20 ATOM 829 HA ALA 53 -1.408 27.734 2.889 1.00 13.13 ATOM 830 CB ALA 53 -0.320 29.551 2.799 1.00 21.33 ATOM 831 HB1 ALA 53 -0.415 30.574 3.134 1.00 70.23 ATOM 832 HB2 ALA 53 -0.234 29.534 1.723 1.00 65.51 ATOM 833 HB3 ALA 53 0.565 29.109 3.235 1.00 65.31 ATOM 834 C ALA 53 -1.695 28.766 4.736 1.00 44.11 ATOM 835 O ALA 53 -1.069 27.968 5.433 1.00 24.43 ATOM 836 N ARG 54 -2.523 29.674 5.241 1.00 35.33 ATOM 837 HN ARG 54 -2.982 30.302 4.639 1.00 37.15 ATOM 838 CA ARG 54 -2.749 29.787 6.677 1.00 32.32 ATOM 839 HA ARG 54 -1.791 29.966 7.150 1.00 72.44 ATOM 840 CB ARG 54 -3.697 30.950 6.976 1.00 31.41 ATOM 841 HB1 ARG 54 -4.454 30.621 7.681 1.00 37.15 ATOM 842 HB2 ARG 54 -4.190 31.252 6.072 1.00 72.33 ATOM 843 CG ARG 54 -3.001 32.167 7.563 1.00 54.13 ATOM 844 HG1 ARG 54 -2.650 32.787 6.751 1.00 37.15 ATOM 845 HG2 ARG 54 -2.156 31.851 8.162 1.00 40.01 ATOM 846 CD ARG 54 -3.947 32.987 8.427 1.00 71.52 ATOM 847 HD1 ARG 54 -4.971 32.686 8.243 1.00 37.15 ATOM 848 HD2 ARG 54 -3.842 34.029 8.160 1.00 3.41 ATOM 849 NE ARG 54 -3.664 32.828 9.851 1.00 70.43 ATOM 850 HE ARG 54 -4.315 32.323 10.386 1.00 30.45 ATOM 851 CZ ARG 54 -2.586 33.325 10.446 1.00 43.44 ATOM 852 NH1 ARG 54 -1.694 34.011 9.743 1.00 21.45 ATOM 853 HH11 ARG 54 -1.805 34.175 8.768 1.00 72.32 ATOM 854 HH12 ARG 54 -0.882 34.377 10.203 1.00 14.42 ATOM 855 NH2 ARG 54 -2.398 33.139 11.746 1.00 71.41 ATOM 856 HH21 ARG 54 -3.068 32.623 12.283 1.00 74.25 ATOM 857 HH22 ARG 54 -1.585 33.513 12.196 1.00 54.44 ATOM 858 C ARG 54 -3.324 28.490 7.241 1.00 43.40 ATOM 859 O ARG 54 -2.992 28.085 8.355 1.00 3.22 ATOM 860 N TYR 55 -4.187 27.845 6.464 1.00 1.25 ATOM 861 HN TYR 55 -4.424 28.209 5.580 1.00 37.15 ATOM 862 CA TYR 55 -4.810 26.597 6.887 1.00 31.42 ATOM 863 HA TYR 55 -4.622 26.465 7.946 1.00 54.45 ATOM 864 CB TYR 55 -6.322 26.655 6.663 1.00 40.23 ATOM 865 HB1 TYR 55 -6.741 25.657 6.691 1.00 37.15 ATOM 866 HB2 TYR 55 -6.511 27.075 5.683 1.00 72.12 ATOM 867 CG TYR 55 -7.053 27.504 7.678 1.00 5.14 ATOM 868 CD1 TYR 55 -7.777 26.919 8.709 1.00 34.33 ATOM 869 HD1 TYR 55 -7.807 25.843 8.789 1.00 44.12 ATOM 870 CD2 TYR 55 -7.019 28.891 7.607 1.00 40.21 ATOM 871 HD2 TYR 55 -6.461 29.366 6.812 1.00 70.21 ATOM 872 CE1 TYR 55 -8.447 27.690 9.639 1.00 10.24 ATOM 873 HE1 TYR 55 -9.004 27.215 10.433 1.00 71.02 ATOM 874 CE2 TYR 55 -7.684 29.671 8.533 1.00 33.53 ATOM 875 HE2 TYR 55 -7.644 30.748 8.460 1.00 2.41 ATOM 876 CZ TYR 55 -8.397 29.066 9.547 1.00 31.54 ATOM 877 OH TYR 55 -9.062 29.838 10.471 1.00 14.33 ATOM 878 HH TYR 55 -8.597 29.814 11.313 1.00 33.14 ATOM 879 C TYR 55 -4.218 25.410 6.133 1.00 32.31 ATOM 880 O TYR 55 -3.666 25.548 5.041 1.00 34.42 ATOM 881 N PRO 56 -4.336 24.214 6.729 1.00 63.33 ATOM 882 CA PRO 56 -3.820 22.978 6.132 1.00 51.13 ATOM 883 HA PRO 56 -2.775 23.069 5.870 1.00 41.34 ATOM 884 CB PRO 56 -3.980 21.949 7.253 1.00 22.33 ATOM 885 HB1 PRO 56 -3.061 21.897 7.817 1.00 37.15 ATOM 886 HB2 PRO 56 -4.210 20.967 6.858 1.00 11.22 ATOM 887 CG PRO 56 -5.088 22.477 8.097 1.00 31.12 ATOM 888 HG1 PRO 56 -4.968 22.138 9.115 1.00 37.15 ATOM 889 HG2 PRO 56 -6.039 22.151 7.701 1.00 0.52 ATOM 890 CD PRO 56 -4.981 23.975 8.030 1.00 15.34 ATOM 891 HD1 PRO 56 -4.366 24.344 8.838 1.00 37.15 ATOM 892 HD2 PRO 56 -5.961 24.409 8.077 1.00 3.23 ATOM 893 C PRO 56 -4.615 22.553 4.902 1.00 44.14 ATOM 894 O PRO 56 -5.480 21.680 4.980 1.00 64.42 ATOM 895 N LEU 57 -4.316 23.175 3.766 1.00 11.04 ATOM 896 HN LEU 57 -3.610 23.862 3.756 1.00 37.15 ATOM 897 CA LEU 57 -5.003 22.861 2.518 1.00 24.52 ATOM 898 HA LEU 57 -5.802 22.169 2.722 1.00 34.10 ATOM 899 CB LEU 57 -5.618 24.126 1.919 1.00 44.35 ATOM 900 HB1 LEU 57 -6.224 23.846 1.068 1.00 37.15 ATOM 901 HB2 LEU 57 -4.808 24.754 1.577 1.00 3.35 ATOM 902 CG LEU 57 -6.468 24.973 2.866 1.00 51.00 ATOM 903 HG LEU 57 -5.878 25.238 3.731 1.00 23.41 ATOM 904 CD1 LEU 57 -6.903 26.262 2.186 1.00 64.24 ATOM 905 HD11 LEU 57 -7.288 26.948 2.919 1.00 30.31 ATOM 906 HD12 LEU 57 -7.663 26.049 1.454 1.00 25.33 ATOM 907 HD13 LEU 57 -6.056 26.706 1.691 1.00 1.23 ATOM 908 CD2 LEU 57 -7.679 24.185 3.343 1.00 13.35 ATOM 909 HD21 LEU 57 -8.268 24.796 4.014 1.00 3.02 ATOM 910 HD22 LEU 57 -7.353 23.298 3.868 1.00 51.43 ATOM 911 HD23 LEU 57 -8.286 23.898 2.495 1.00 62.04 ATOM 912 C LEU 57 -4.046 22.222 1.516 1.00 3.52 ATOM 913 O LEU 57 -2.905 22.660 1.365 1.00 44.33 ATOM 914 N THR 58 -4.519 21.186 0.832 1.00 64.44 ATOM 915 HN THR 58 -5.429 20.861 1.007 1.00 37.15 ATOM 916 CA THR 58 -3.706 20.488 -0.157 1.00 32.32 ATOM 917 HA THR 58 -2.658 20.713 0.016 1.00 75.15 ATOM 918 CB THR 58 -3.887 18.961 -0.056 1.00 54.44 ATOM 919 HB THR 58 -3.444 18.485 -0.922 1.00 61.51 ATOM 920 OG1 THR 58 -5.281 18.635 -0.012 1.00 50.31 ATOM 921 HG1 THR 58 -5.414 17.738 -0.329 1.00 42.35 ATOM 922 CG2 THR 58 -3.194 18.414 1.182 1.00 3.40 ATOM 923 HG21 THR 58 -3.336 17.344 1.229 1.00 31.45 ATOM 924 HG22 THR 58 -3.616 18.871 2.066 1.00 2.20 ATOM 925 HG23 THR 58 -2.137 18.634 1.133 1.00 45.24 ATOM 926 C THR 58 -4.054 20.937 -1.571 1.00 54.42 ATOM 927 O THR 58 -4.998 21.701 -1.774 1.00 60.54 ATOM 928 N GLU 59 -3.287 20.459 -2.545 1.00 63.23 ATOM 929 HN GLU 59 -2.536 19.860 -2.319 1.00 37.15 ATOM 930 CA GLU 59 -3.516 20.813 -3.941 1.00 65.12 ATOM 931 HA GLU 59 -3.326 21.873 -4.051 1.00 53.24 ATOM 932 CB GLU 59 -2.566 20.030 -4.851 1.00 54.42 ATOM 933 HB1 GLU 59 -2.983 19.989 -5.852 1.00 37.15 ATOM 934 HB2 GLU 59 -2.467 19.022 -4.475 1.00 23.41 ATOM 935 CG GLU 59 -1.177 20.638 -4.948 1.00 20.33 ATOM 936 HG1 GLU 59 -0.688 20.539 -3.990 1.00 37.15 ATOM 937 HG2 GLU 59 -1.268 21.686 -5.198 1.00 62.15 ATOM 938 CD GLU 59 -0.318 19.965 -6.001 1.00 31.12 ATOM 939 OE1 GLU 59 0.133 18.826 -5.760 1.00 74.44 ATOM 940 OE2 GLU 59 -0.097 20.579 -7.066 1.00 31.41 ATOM 941 C GLU 59 -4.962 20.540 -4.342 1.00 34.43 ATOM 942 O GLU 59 -5.509 21.201 -5.224 1.00 12.51 ATOM 943 N SER 60 -5.576 19.559 -3.687 1.00 14.21 ATOM 944 HN SER 60 -5.086 19.028 -3.020 1.00 37.15 ATOM 945 CA SER 60 -6.958 19.194 -3.977 1.00 11.51 ATOM 946 HA SER 60 -7.112 19.248 -5.048 1.00 35.52 ATOM 947 CB SER 60 -7.237 17.762 -3.517 1.00 41.14 ATOM 948 HB1 SER 60 -8.083 17.370 -4.062 1.00 37.15 ATOM 949 HB2 SER 60 -7.454 17.747 -2.456 1.00 21.05 ATOM 950 OG SER 60 -6.118 16.924 -3.752 1.00 53.41 ATOM 951 HG SER 60 -6.371 16.007 -3.622 1.00 45.13 ATOM 952 C SER 60 -7.928 20.156 -3.297 1.00 50.45 ATOM 953 O SER 60 -8.967 20.505 -3.858 1.00 22.13 ATOM 954 N GLN 61 -7.580 20.581 -2.087 1.00 61.01 ATOM 955 HN GLN 61 -6.740 20.264 -1.681 1.00 37.15 ATOM 956 CA GLN 61 -8.420 21.502 -1.330 1.00 64.03 ATOM 957 HA GLN 61 -9.444 21.167 -1.392 1.00 11.11 ATOM 958 CB GLN 61 -7.999 21.518 0.140 1.00 31.23 ATOM 959 HB1 GLN 61 -8.607 22.247 0.665 1.00 37.15 ATOM 960 HB2 GLN 61 -6.968 21.819 0.201 1.00 41.13 ATOM 961 CG GLN 61 -8.157 20.174 0.833 1.00 73.22 ATOM 962 HG1 GLN 61 -7.337 19.544 0.551 1.00 37.15 ATOM 963 HG2 GLN 61 -9.079 19.715 0.518 1.00 63.24 ATOM 964 CD GLN 61 -8.173 20.294 2.344 1.00 42.21 ATOM 965 OE1 GLN 61 -7.124 20.299 2.989 1.00 43.04 ATOM 966 NE2 GLN 61 -9.366 20.392 2.918 1.00 12.40 ATOM 967 HE21 GLN 61 -10.172 20.383 2.353 1.00 11.33 ATOM 968 HE22 GLN 61 -9.397 20.471 3.894 1.00 3.52 ATOM 969 C GLN 61 -8.341 22.911 -1.909 1.00 72.11 ATOM 970 O GLN 61 -9.363 23.520 -2.229 1.00 21.10 ATOM 971 N LEU 62 -7.123 23.424 -2.041 1.00 21.22 ATOM 972 HN LEU 62 -6.345 22.886 -1.770 1.00 37.15 ATOM 973 CA LEU 62 -6.911 24.762 -2.581 1.00 45.21 ATOM 974 HA LEU 62 -7.320 25.474 -1.877 1.00 55.30 ATOM 975 CB LEU 62 -5.415 25.031 -2.758 1.00 71.31 ATOM 976 HB1 LEU 62 -5.306 25.819 -3.498 1.00 37.15 ATOM 977 HB2 LEU 62 -4.958 24.137 -3.167 1.00 62.30 ATOM 978 CG LEU 62 -4.656 25.454 -1.500 1.00 64.02 ATOM 979 HG LEU 62 -5.348 25.867 -0.777 1.00 50.31 ATOM 980 CD1 LEU 62 -3.977 24.254 -0.857 1.00 40.45 ATOM 981 HD11 LEU 62 -3.325 23.772 -1.573 1.00 23.33 ATOM 982 HD12 LEU 62 -4.729 23.568 -0.539 1.00 74.21 ATOM 983 HD13 LEU 62 -3.397 24.578 -0.005 1.00 24.44 ATOM 984 CD2 LEU 62 -3.635 26.533 -1.831 1.00 64.33 ATOM 985 HD21 LEU 62 -4.138 27.392 -2.242 1.00 23.14 ATOM 986 HD22 LEU 62 -2.925 26.154 -2.554 1.00 73.11 ATOM 987 HD23 LEU 62 -3.108 26.823 -0.933 1.00 51.14 ATOM 988 C LEU 62 -7.631 24.931 -3.915 1.00 44.41 ATOM 989 O LEU 62 -8.174 25.996 -4.208 1.00 0.14 ATOM 990 N ALA 63 -7.632 23.873 -4.719 1.00 40.33 ATOM 991 HN ALA 63 -7.164 23.050 -4.442 1.00 37.15 ATOM 992 CA ALA 63 -8.289 23.903 -6.020 1.00 41.41 ATOM 993 HA ALA 63 -7.804 24.658 -6.625 1.00 12.21 ATOM 994 CB ALA 63 -8.129 22.564 -6.723 1.00 71.42 ATOM 995 HB1 ALA 63 -8.620 21.790 -6.149 1.00 21.23 ATOM 996 HB2 ALA 63 -7.078 22.330 -6.812 1.00 24.25 ATOM 997 HB3 ALA 63 -8.568 22.616 -7.709 1.00 71.53 ATOM 998 C ALA 63 -9.766 24.257 -5.881 1.00 43.33 ATOM 999 O ALA 63 -10.340 24.919 -6.747 1.00 11.32 ATOM 1000 N LEU 64 -10.376 23.812 -4.788 1.00 44.14 ATOM 1001 HN LEU 64 -9.875 23.278 -4.133 1.00 37.15 ATOM 1002 CA LEU 64 -11.787 24.081 -4.536 1.00 50.54 ATOM 1003 HA LEU 64 -12.323 24.025 -5.477 1.00 54.54 ATOM 1004 CB LEU 64 -12.365 23.032 -3.586 1.00 31.33 ATOM 1005 HB1 LEU 64 -11.747 23.035 -2.698 1.00 37.15 ATOM 1006 HB2 LEU 64 -12.253 22.063 -4.059 1.00 43.31 ATOM 1007 CG LEU 64 -13.825 23.228 -3.176 1.00 51.43 ATOM 1008 HG LEU 64 -14.148 24.237 -3.390 1.00 64.23 ATOM 1009 CD1 LEU 64 -14.731 22.295 -3.965 1.00 1.15 ATOM 1010 HD11 LEU 64 -14.600 21.273 -3.636 1.00 32.20 ATOM 1011 HD12 LEU 64 -14.510 22.369 -5.023 1.00 44.23 ATOM 1012 HD13 LEU 64 -15.732 22.605 -3.794 1.00 11.11 ATOM 1013 CD2 LEU 64 -13.995 23.002 -1.681 1.00 42.20 ATOM 1014 HD21 LEU 64 -14.981 22.625 -1.467 1.00 72.14 ATOM 1015 HD22 LEU 64 -13.871 23.947 -1.174 1.00 54.32 ATOM 1016 HD23 LEU 64 -13.257 22.316 -1.310 1.00 50.42 ATOM 1017 C LEU 64 -11.979 25.476 -3.949 1.00 41.24 ATOM 1018 O LEU 64 -12.830 26.241 -4.403 1.00 74.44 ATOM 1019 N VAL 65 -11.180 25.802 -2.938 1.00 42.23 ATOM 1020 HN VAL 65 -10.508 25.151 -2.638 1.00 37.15 ATOM 1021 CA VAL 65 -11.259 27.106 -2.291 1.00 51.30 ATOM 1022 HA VAL 65 -12.210 27.165 -1.778 1.00 70.53 ATOM 1023 CB VAL 65 -10.134 27.288 -1.255 1.00 20.10 ATOM 1024 HB VAL 65 -9.182 27.259 -1.769 1.00 61.45 ATOM 1025 CG1 VAL 65 -10.258 28.636 -0.562 1.00 54.43 ATOM 1026 HG11 VAL 65 -11.270 28.793 -0.230 1.00 42.43 ATOM 1027 HG12 VAL 65 -9.981 29.401 -1.255 1.00 42.23 ATOM 1028 HG13 VAL 65 -9.593 28.677 0.290 1.00 14.21 ATOM 1029 CG2 VAL 65 -10.156 26.154 -0.241 1.00 10.32 ATOM 1030 HG21 VAL 65 -11.145 26.065 0.188 1.00 14.24 ATOM 1031 HG22 VAL 65 -9.450 26.358 0.545 1.00 11.54 ATOM 1032 HG23 VAL 65 -9.890 25.232 -0.716 1.00 51.13 ATOM 1033 C VAL 65 -11.180 28.233 -3.314 1.00 45.54 ATOM 1034 O VAL 65 -11.736 29.312 -3.109 1.00 42.41 ATOM 1035 N ARG 66 -10.485 27.976 -4.418 1.00 24.25 ATOM 1036 HN ARG 66 -10.021 27.114 -4.520 1.00 37.15 ATOM 1037 CA ARG 66 -10.331 28.969 -5.474 1.00 14.24 ATOM 1038 HA ARG 66 -10.182 29.941 -5.015 1.00 14.24 ATOM 1039 CB ARG 66 -9.115 28.640 -6.340 1.00 63.23 ATOM 1040 HB1 ARG 66 -9.167 29.224 -7.254 1.00 37.15 ATOM 1041 HB2 ARG 66 -9.143 27.590 -6.595 1.00 30.13 ATOM 1042 CG ARG 66 -7.786 28.927 -5.660 1.00 14.12 ATOM 1043 HG1 ARG 66 -7.508 28.080 -5.059 1.00 37.15 ATOM 1044 HG2 ARG 66 -7.883 29.800 -5.027 1.00 74.25 ATOM 1045 CD ARG 66 -6.685 29.188 -6.675 1.00 51.54 ATOM 1046 HD1 ARG 66 -6.740 28.453 -7.469 1.00 37.15 ATOM 1047 HD2 ARG 66 -5.738 29.087 -6.163 1.00 0.34 ATOM 1048 NE ARG 66 -6.778 30.527 -7.252 1.00 15.24 ATOM 1049 HE ARG 66 -7.623 31.021 -7.137 1.00 64.03 ATOM 1050 CZ ARG 66 -5.791 31.108 -7.924 1.00 52.31 ATOM 1051 NH1 ARG 66 -4.643 30.471 -8.104 1.00 45.22 ATOM 1052 HH11 ARG 66 -4.493 29.552 -7.748 1.00 22.13 ATOM 1053 HH12 ARG 66 -3.904 30.920 -8.610 1.00 71.41 ATOM 1054 NH2 ARG 66 -5.952 32.329 -8.418 1.00 52.14 ATOM 1055 HH21 ARG 66 -6.818 32.816 -8.286 1.00 1.42 ATOM 1056 HH22 ARG 66 -5.208 32.770 -8.925 1.00 62.41 ATOM 1057 C ARG 66 -11.584 29.037 -6.342 1.00 14.32 ATOM 1058 O ARG 66 -11.966 30.108 -6.815 1.00 71.34 ATOM 1059 N ASP 67 -12.219 27.888 -6.546 1.00 51.44 ATOM 1060 HN ASP 67 -11.858 27.057 -6.163 1.00 37.15 ATOM 1061 CA ASP 67 -13.429 27.817 -7.357 1.00 53.30 ATOM 1062 HA ASP 67 -13.234 28.333 -8.291 1.00 22.33 ATOM 1063 CB ASP 67 -13.786 26.360 -7.653 1.00 23.43 ATOM 1064 HB1 ASP 67 -14.339 25.936 -6.824 1.00 37.15 ATOM 1065 HB2 ASP 67 -12.875 25.794 -7.791 1.00 33.12 ATOM 1066 CG ASP 67 -14.617 26.211 -8.912 1.00 30.22 ATOM 1067 OD1 ASP 67 -14.031 26.216 -10.015 1.00 4.34 ATOM 1068 OD2 ASP 67 -15.854 26.088 -8.794 1.00 60.13 ATOM 1069 C ASP 67 -14.595 28.507 -6.655 1.00 30.51 ATOM 1070 O ASP 67 -15.305 29.313 -7.256 1.00 50.21 ATOM 1071 N ILE 68 -14.787 28.183 -5.381 1.00 25.44 ATOM 1072 HN ILE 68 -14.167 27.550 -4.953 1.00 37.15 ATOM 1073 CA ILE 68 -15.866 28.771 -4.597 1.00 60.43 ATOM 1074 HA ILE 68 -16.806 28.444 -5.025 1.00 13.12 ATOM 1075 CB ILE 68 -15.812 28.309 -3.129 1.00 0.31 ATOM 1076 HB ILE 68 -14.870 28.635 -2.707 1.00 32.02 ATOM 1077 CG1 ILE 68 -15.899 26.784 -3.047 1.00 75.12 ATOM 1078 HG11 ILE 68 -15.234 26.331 -3.765 1.00 37.15 ATOM 1079 HG12 ILE 68 -16.909 26.466 -3.264 1.00 45.25 ATOM 1080 CG2 ILE 68 -16.935 28.953 -2.330 1.00 11.22 ATOM 1081 HG21 ILE 68 -16.799 30.022 -2.292 1.00 40.43 ATOM 1082 HG22 ILE 68 -16.933 28.572 -1.320 1.00 52.21 ATOM 1083 HG23 ILE 68 -17.887 28.729 -2.792 1.00 65.14 ATOM 1084 CD1 ILE 68 -15.527 26.229 -1.690 1.00 54.20 ATOM 1085 HD11 ILE 68 -16.161 26.660 -0.932 1.00 44.24 ATOM 1086 HD12 ILE 68 -14.496 26.465 -1.474 1.00 55.34 ATOM 1087 HD13 ILE 68 -15.658 25.159 -1.696 1.00 40.41 ATOM 1088 C ILE 68 -15.811 30.294 -4.642 1.00 71.12 ATOM 1089 O ILE 68 -16.842 30.960 -4.732 1.00 75.15 ATOM 1090 N ARG 69 -14.601 30.839 -4.580 1.00 64.14 ATOM 1091 HN ARG 69 -13.808 30.257 -4.499 1.00 37.15 ATOM 1092 CA ARG 69 -14.411 32.284 -4.615 1.00 3.03 ATOM 1093 HA ARG 69 -15.044 32.722 -3.855 1.00 73.01 ATOM 1094 CB ARG 69 -12.953 32.636 -4.310 1.00 35.33 ATOM 1095 HB1 ARG 69 -12.348 32.362 -5.167 1.00 37.15 ATOM 1096 HB2 ARG 69 -12.619 32.061 -3.469 1.00 52.21 ATOM 1097 CG ARG 69 -12.733 34.109 -4.006 1.00 71.32 ATOM 1098 HG1 ARG 69 -12.791 34.250 -2.938 1.00 37.15 ATOM 1099 HG2 ARG 69 -13.497 34.708 -4.485 1.00 64.13 ATOM 1100 CD ARG 69 -11.367 34.577 -4.482 1.00 50.23 ATOM 1101 HD1 ARG 69 -10.694 33.738 -4.539 1.00 37.15 ATOM 1102 HD2 ARG 69 -10.987 35.291 -3.766 1.00 52.44 ATOM 1103 NE ARG 69 -11.433 35.209 -5.797 1.00 42.52 ATOM 1104 HE ARG 69 -12.277 35.138 -6.300 1.00 43.00 ATOM 1105 CZ ARG 69 -10.415 35.858 -6.353 1.00 32.05 ATOM 1106 NH1 ARG 69 -9.260 35.959 -5.711 1.00 25.23 ATOM 1107 HH11 ARG 69 -9.128 35.557 -4.807 1.00 1.44 ATOM 1108 HH12 ARG 69 -8.496 36.443 -6.143 1.00 34.33 ATOM 1109 NH2 ARG 69 -10.552 36.407 -7.553 1.00 35.12 ATOM 1110 HH21 ARG 69 -11.423 36.334 -8.044 1.00 32.32 ATOM 1111 HH22 ARG 69 -9.786 36.897 -7.974 1.00 33.32 ATOM 1112 C ARG 69 -14.809 32.853 -5.974 1.00 24.54 ATOM 1113 O ARG 69 -15.431 33.912 -6.056 1.00 64.34 ATOM 1114 N ARG 70 -14.445 32.142 -7.036 1.00 70.21 ATOM 1115 HN ARG 70 -13.938 31.305 -6.911 1.00 37.15 ATOM 1116 CA ARG 70 -14.762 32.576 -8.391 1.00 54.31 ATOM 1117 HA ARG 70 -14.356 33.569 -8.531 1.00 14.10 ATOM 1118 CB ARG 70 -14.123 31.636 -9.414 1.00 70.41 ATOM 1119 HB1 ARG 70 -14.441 30.626 -9.199 1.00 37.15 ATOM 1120 HB2 ARG 70 -13.047 31.689 -9.316 1.00 44.34 ATOM 1121 CG ARG 70 -14.499 31.954 -10.852 1.00 63.41 ATOM 1122 HG1 ARG 70 -15.572 31.992 -10.961 1.00 37.15 ATOM 1123 HG2 ARG 70 -14.112 31.166 -11.482 1.00 43.23 ATOM 1124 CD ARG 70 -13.890 33.270 -11.309 1.00 13.44 ATOM 1125 HD1 ARG 70 -13.640 33.181 -12.356 1.00 37.15 ATOM 1126 HD2 ARG 70 -12.986 33.474 -10.747 1.00 41.45 ATOM 1127 NE ARG 70 -14.817 34.387 -11.145 1.00 50.34 ATOM 1128 HE ARG 70 -15.719 34.193 -10.800 1.00 24.12 ATOM 1129 CZ ARG 70 -14.510 35.646 -11.439 1.00 21.13 ATOM 1130 NH1 ARG 70 -13.307 35.946 -11.908 1.00 41.11 ATOM 1131 HH11 ARG 70 -12.614 35.241 -12.049 1.00 60.44 ATOM 1132 HH12 ARG 70 -13.084 36.898 -12.128 1.00 64.43 ATOM 1133 NH2 ARG 70 -15.407 36.607 -11.263 1.00 15.30 ATOM 1134 HH21 ARG 70 -16.318 36.387 -10.908 1.00 25.25 ATOM 1135 HH22 ARG 70 -15.178 37.557 -11.484 1.00 14.12 ATOM 1136 C ARG 70 -16.272 32.628 -8.606 1.00 12.12 ATOM 1137 O ARG 70 -16.809 33.634 -9.070 1.00 0.11 ATOM 1138 N ARG 71 -16.951 31.537 -8.266 1.00 1.25 ATOM 1139 HN ARG 71 -16.465 30.762 -7.893 1.00 37.15 ATOM 1140 CA ARG 71 -18.398 31.458 -8.423 1.00 31.23 ATOM 1141 HA ARG 71 -18.652 31.786 -9.424 1.00 0.11 ATOM 1142 CB ARG 71 -18.873 30.015 -8.243 1.00 75.11 ATOM 1143 HB1 ARG 71 -19.956 29.996 -8.297 1.00 37.15 ATOM 1144 HB2 ARG 71 -18.564 29.665 -7.268 1.00 3.14 ATOM 1145 CG ARG 71 -18.323 29.058 -9.287 1.00 64.35 ATOM 1146 HG1 ARG 71 -17.277 28.881 -9.083 1.00 37.15 ATOM 1147 HG2 ARG 71 -18.430 29.501 -10.268 1.00 2.11 ATOM 1148 CD ARG 71 -19.061 27.728 -9.269 1.00 50.55 ATOM 1149 HD1 ARG 71 -20.123 27.895 -9.137 1.00 37.15 ATOM 1150 HD2 ARG 71 -18.692 27.153 -8.431 1.00 31.32 ATOM 1151 NE ARG 71 -18.833 26.959 -10.489 1.00 64.15 ATOM 1152 HE ARG 71 -18.156 26.248 -10.453 1.00 23.34 ATOM 1153 CZ ARG 71 -19.487 27.172 -11.626 1.00 25.20 ATOM 1154 NH1 ARG 71 -20.404 28.126 -11.698 1.00 12.11 ATOM 1155 HH11 ARG 71 -20.623 28.703 -10.916 1.00 54.52 ATOM 1156 HH12 ARG 71 -20.893 28.275 -12.560 1.00 53.22 ATOM 1157 NH2 ARG 71 -19.223 26.430 -12.694 1.00 24.32 ATOM 1158 HH21 ARG 71 -18.530 25.707 -12.647 1.00 73.54 ATOM 1159 HH22 ARG 71 -19.715 26.589 -13.552 1.00 72.54 ATOM 1160 C ARG 71 -19.104 32.366 -7.420 1.00 75.22 ATOM 1161 O ARG 71 -20.196 32.868 -7.684 1.00 31.00 ATOM 1162 N GLY 72 -18.473 32.571 -6.268 1.00 51.52 ATOM 1163 HN GLY 72 -17.612 32.136 -6.084 1.00 37.15 ATOM 1164 CA GLY 72 -19.056 33.418 -5.244 1.00 20.14 ATOM 1165 HA1 GLY 72 -18.535 33.238 -4.322 1.00 37.15 ATOM 1166 HA2 GLY 72 -20.092 33.158 -5.108 1.00 23.55 ATOM 1167 C GLY 72 -18.952 34.892 -5.581 1.00 4.01 ATOM 1168 O GLY 72 -19.889 35.657 -5.353 1.00 1.03 ATOM 1169 N LYS 73 -17.808 35.293 -6.125 1.00 4.44 ATOM 1170 HN LYS 73 -17.091 34.637 -6.289 1.00 37.15 ATOM 1171 CA LYS 73 -17.582 36.686 -6.494 1.00 35.20 ATOM 1172 HA LYS 73 -18.002 37.311 -5.716 1.00 51.21 ATOM 1173 CB LYS 73 -16.083 36.972 -6.596 1.00 25.22 ATOM 1174 HB1 LYS 73 -15.701 36.580 -7.531 1.00 37.15 ATOM 1175 HB2 LYS 73 -15.586 36.459 -5.781 1.00 61.40 ATOM 1176 CG LYS 73 -15.739 38.449 -6.522 1.00 4.42 ATOM 1177 HG1 LYS 73 -16.461 38.958 -5.895 1.00 37.15 ATOM 1178 HG2 LYS 73 -15.774 38.868 -7.517 1.00 44.21 ATOM 1179 CD LYS 73 -14.354 38.671 -5.938 1.00 24.14 ATOM 1180 HD1 LYS 73 -14.299 38.201 -4.965 1.00 37.15 ATOM 1181 HD2 LYS 73 -14.194 39.734 -5.831 1.00 23.25 ATOM 1182 CE LYS 73 -13.271 38.087 -6.833 1.00 12.33 ATOM 1183 HE1 LYS 73 -13.631 38.021 -7.853 1.00 37.15 ATOM 1184 HE2 LYS 73 -13.031 37.103 -6.478 1.00 13.33 ATOM 1185 NZ LYS 73 -12.035 38.917 -6.821 1.00 43.00 ATOM 1186 HZ1 LYS 73 -12.268 39.934 -6.827 1.00 62.11 ATOM 1187 HZ2 LYS 73 -11.463 38.714 -7.663 1.00 14.42 ATOM 1188 HZ3 LYS 73 -11.471 38.706 -5.973 1.00 12.24 ATOM 1189 C LYS 73 -18.264 37.015 -7.818 1.00 75.52 ATOM 1190 O LYS 73 -18.595 38.169 -8.087 1.00 32.42 ATOM 1191 N ASN 74 -18.473 35.992 -8.641 1.00 62.12 ATOM 1192 HN ASN 74 -18.180 35.088 -8.385 1.00 37.15 ATOM 1193 CA ASN 74 -19.117 36.173 -9.937 1.00 63.22 ATOM 1194 HA ASN 74 -18.642 37.009 -10.438 1.00 71.44 ATOM 1195 CB ASN 74 -18.941 34.919 -10.797 1.00 4.41 ATOM 1196 HB1 ASN 74 -19.443 34.084 -10.326 1.00 37.15 ATOM 1197 HB2 ASN 74 -17.888 34.701 -10.876 1.00 11.42 ATOM 1198 CG ASN 74 -19.478 35.102 -12.203 1.00 13.50 ATOM 1199 OD1 ASN 74 -19.027 35.977 -12.943 1.00 72.20 ATOM 1200 ND2 ASN 74 -20.448 34.276 -12.578 1.00 1.13 ATOM 1201 HD21 ASN 74 -20.772 33.595 -11.946 1.00 62.22 ATOM 1202 HD22 ASN 74 -20.808 34.379 -13.484 1.00 34.11 ATOM 1203 C ASN 74 -20.601 36.483 -9.769 1.00 1.23 ATOM 1204 O ASN 74 -21.102 37.480 -10.290 1.00 64.34 ATOM 1205 N LYS 75 -21.300 35.623 -9.036 1.00 10.11 ATOM 1206 HN LYS 75 -20.847 34.820 -8.690 1.00 37.15 ATOM 1207 CA LYS 75 -22.727 35.805 -8.796 1.00 24.33 ATOM 1208 HA LYS 75 -23.242 35.676 -9.736 1.00 75.12 ATOM 1209 CB LYS 75 -23.235 34.757 -7.803 1.00 1.24 ATOM 1210 HB1 LYS 75 -23.199 33.790 -8.288 1.00 37.15 ATOM 1211 HB2 LYS 75 -24.263 34.976 -7.540 1.00 54.44 ATOM 1212 CG LYS 75 -22.417 34.684 -6.525 1.00 34.44 ATOM 1213 HG1 LYS 75 -22.601 35.568 -5.935 1.00 37.15 ATOM 1214 HG2 LYS 75 -21.382 34.626 -6.765 1.00 22.44 ATOM 1215 CD LYS 75 -22.785 33.464 -5.697 1.00 34.23 ATOM 1216 HD1 LYS 75 -22.081 33.372 -4.887 1.00 37.15 ATOM 1217 HD2 LYS 75 -22.740 32.578 -6.315 1.00 34.52 ATOM 1218 CE LYS 75 -24.183 33.590 -5.109 1.00 5.03 ATOM 1219 HE1 LYS 75 -24.902 33.308 -5.863 1.00 37.15 ATOM 1220 HE2 LYS 75 -24.360 34.616 -4.809 1.00 11.51 ATOM 1221 NZ LYS 75 -24.365 32.714 -3.918 1.00 44.12 ATOM 1222 HZ1 LYS 75 -23.684 32.970 -3.173 1.00 51.31 ATOM 1223 HZ2 LYS 75 -24.220 31.716 -4.177 1.00 2.43 ATOM 1224 HZ3 LYS 75 -25.329 32.823 -3.542 1.00 2.55 ATOM 1225 C LYS 75 -23.015 37.205 -8.265 1.00 52.55 ATOM 1226 O LYS 75 -23.925 37.885 -8.741 1.00 32.22 ATOM 1227 N VAL 76 -22.233 37.633 -7.279 1.00 35.42 ATOM 1228 HN VAL 76 -21.494 37.069 -6.967 1.00 37.15 ATOM 1229 CA VAL 76 -22.404 38.954 -6.686 1.00 24.31 ATOM 1230 HA VAL 76 -23.454 39.081 -6.442 1.00 43.32 ATOM 1231 CB VAL 76 -21.585 39.097 -5.389 1.00 65.33 ATOM 1232 HB VAL 76 -21.812 38.257 -4.749 1.00 14.54 ATOM 1233 CG1 VAL 76 -20.094 39.074 -5.694 1.00 14.13 ATOM 1234 HG11 VAL 76 -19.542 39.098 -4.765 1.00 43.32 ATOM 1235 HG12 VAL 76 -19.807 39.922 -6.294 1.00 73.13 ATOM 1236 HG13 VAL 76 -19.869 38.171 -6.204 1.00 42.22 ATOM 1237 CG2 VAL 76 -21.968 40.373 -4.655 1.00 61.25 ATOM 1238 HG21 VAL 76 -21.438 40.418 -3.714 1.00 31.10 ATOM 1239 HG22 VAL 76 -23.032 40.377 -4.463 1.00 75.34 ATOM 1240 HG23 VAL 76 -21.709 41.236 -5.251 1.00 40.13 ATOM 1241 C VAL 76 -21.989 40.051 -7.660 1.00 24.32 ATOM 1242 O VAL 76 -22.529 41.156 -7.633 1.00 30.13 ATOM 1243 N ALA 77 -21.025 39.737 -8.520 1.00 54.12 ATOM 1244 HN ALA 77 -20.609 38.849 -8.488 1.00 37.15 ATOM 1245 CA ALA 77 -20.539 40.695 -9.505 1.00 53.41 ATOM 1246 HA ALA 77 -20.704 41.687 -9.128 1.00 2.33 ATOM 1247 CB ALA 77 -19.039 40.537 -9.700 1.00 24.41 ATOM 1248 HB1 ALA 77 -18.826 39.566 -10.126 1.00 72.21 ATOM 1249 HB2 ALA 77 -18.543 40.625 -8.745 1.00 11.13 ATOM 1250 HB3 ALA 77 -18.676 41.309 -10.363 1.00 50.41 ATOM 1251 C ALA 77 -21.267 40.533 -10.835 1.00 73.21 ATOM 1252 O ALA 77 -20.779 40.967 -11.878 1.00 11.12 ATOM 1253 N ALA 78 -22.437 39.904 -10.791 1.00 33.01 ATOM 1254 HN ALA 78 -22.783 39.555 -9.953 1.00 37.15 ATOM 1255 CA ALA 78 -23.233 39.685 -11.992 1.00 40.45 ATOM 1256 HA ALA 78 -22.658 39.974 -12.865 1.00 11.40 ATOM 1257 CB ALA 78 -23.571 38.209 -12.140 1.00 40.34 ATOM 1258 HB1 ALA 78 -24.149 38.055 -13.041 1.00 72.10 ATOM 1259 HB2 ALA 78 -24.143 37.880 -11.284 1.00 13.31 ATOM 1260 HB3 ALA 78 -22.658 37.637 -12.201 1.00 74.25 ATOM 1261 C ALA 78 -24.508 40.522 -11.966 1.00 63.15 ATOM 1262 O ALA 78 -25.014 40.929 -13.011 1.00 75.15 ATOM 1263 N GLN 79 -25.020 40.774 -10.766 1.00 74.44 ATOM 1264 HN GLN 79 -24.586 40.424 -9.959 1.00 37.15 ATOM 1265 CA GLN 79 -26.237 41.561 -10.606 1.00 33.31 ATOM 1266 HA GLN 79 -26.846 41.452 -11.496 1.00 64.22 ATOM 1267 CB GLN 79 -27.043 41.055 -9.408 1.00 61.20 ATOM 1268 HB1 GLN 79 -27.077 39.975 -9.451 1.00 37.15 ATOM 1269 HB2 GLN 79 -28.054 41.428 -9.481 1.00 63.42 ATOM 1270 CG GLN 79 -26.449 41.450 -8.065 1.00 75.33 ATOM 1271 HG1 GLN 79 -25.368 41.450 -8.131 1.00 37.15 ATOM 1272 HG2 GLN 79 -26.758 40.724 -7.328 1.00 61.31 ATOM 1273 CD GLN 79 -26.908 42.819 -7.605 1.00 3.41 ATOM 1274 OE1 GLN 79 -27.825 43.406 -8.181 1.00 4.04 ATOM 1275 NE2 GLN 79 -26.271 43.337 -6.561 1.00 44.22 ATOM 1276 HE21 GLN 79 -25.545 42.823 -6.139 1.00 40.24 ATOM 1277 HE22 GLN 79 -26.553 44.222 -6.248 1.00 44.40 ATOM 1278 C GLN 79 -25.909 43.039 -10.425 1.00 55.24 ATOM 1279 O GLN 79 -26.725 43.908 -10.731 1.00 74.54 ATOM 1280 N ASN 80 -24.710 43.318 -9.926 1.00 64.51 ATOM 1281 HN ASN 80 -24.102 42.584 -9.682 1.00 37.15 ATOM 1282 CA ASN 80 -24.274 44.692 -9.704 1.00 32.42 ATOM 1283 HA ASN 80 -25.074 45.229 -9.210 1.00 22.12 ATOM 1284 CB ASN 80 -23.040 44.718 -8.801 1.00 25.44 ATOM 1285 HB1 ASN 80 -23.271 44.209 -7.876 1.00 37.15 ATOM 1286 HB2 ASN 80 -22.779 45.745 -8.584 1.00 12.10 ATOM 1287 CG ASN 80 -21.843 44.036 -9.437 1.00 35.24 ATOM 1288 OD1 ASN 80 -21.993 43.190 -10.319 1.00 14.41 ATOM 1289 ND2 ASN 80 -20.648 44.402 -8.990 1.00 24.50 ATOM 1290 HD21 ASN 80 -20.589 45.083 -8.282 1.00 12.10 ATOM 1291 HD22 ASN 80 -19.862 43.973 -9.388 1.00 51.22 ATOM 1292 C ASN 80 -23.965 45.385 -11.027 1.00 62.01 ATOM 1293 O ASN 80 -24.040 46.610 -11.131 1.00 22.43 ATOM 1294 N TYR 81 -23.618 44.594 -12.036 1.00 64.20 ATOM 1295 HN TYR 81 -23.562 43.621 -11.897 1.00 37.15 ATOM 1296 CA TYR 81 -23.295 45.131 -13.353 1.00 0.05 ATOM 1297 HA TYR 81 -22.491 45.848 -13.224 1.00 43.25 ATOM 1298 CB TYR 81 -22.829 44.010 -14.284 1.00 12.54 ATOM 1299 HB1 TYR 81 -23.663 43.646 -14.875 1.00 37.15 ATOM 1300 HB2 TYR 81 -22.453 43.186 -13.688 1.00 74.41 ATOM 1301 CG TYR 81 -21.731 44.430 -15.234 1.00 44.20 ATOM 1302 CD1 TYR 81 -20.405 44.099 -14.985 1.00 23.15 ATOM 1303 HD1 TYR 81 -20.159 43.533 -14.097 1.00 42.20 ATOM 1304 CD2 TYR 81 -22.019 45.158 -16.382 1.00 72.43 ATOM 1305 HD2 TYR 81 -23.041 45.421 -16.592 1.00 34.32 ATOM 1306 CE1 TYR 81 -19.398 44.481 -15.850 1.00 1.12 ATOM 1307 HE1 TYR 81 -18.373 44.213 -15.638 1.00 40.41 ATOM 1308 CE2 TYR 81 -21.019 45.543 -17.254 1.00 20.20 ATOM 1309 HE2 TYR 81 -21.264 46.108 -18.141 1.00 42.15 ATOM 1310 CZ TYR 81 -19.710 45.203 -16.983 1.00 70.41 ATOM 1311 OH TYR 81 -18.710 45.584 -17.848 1.00 52.02 ATOM 1312 HH TYR 81 -18.398 44.821 -18.343 1.00 42.00 ATOM 1313 C TYR 81 -24.499 45.845 -13.960 1.00 31.52 ATOM 1314 O TYR 81 -25.646 45.473 -13.710 1.00 62.44 ATOM 1315 N ARG 82 -24.229 46.872 -14.759 1.00 21.51 ATOM 1316 HN ARG 82 -23.288 47.121 -14.924 1.00 37.15 ATOM 1317 CA ARG 82 -25.289 47.638 -15.402 1.00 42.52 ATOM 1318 HA ARG 82 -26.050 47.855 -14.663 1.00 0.53 ATOM 1319 CB ARG 82 -24.737 48.961 -15.938 1.00 72.35 ATOM 1320 HB1 ARG 82 -23.966 48.752 -16.665 1.00 37.15 ATOM 1321 HB2 ARG 82 -24.290 49.508 -15.118 1.00 13.30 ATOM 1322 CG ARG 82 -25.788 49.834 -16.603 1.00 54.33 ATOM 1323 HG1 ARG 82 -26.480 49.235 -17.175 1.00 37.15 ATOM 1324 HG2 ARG 82 -25.285 50.519 -17.269 1.00 71.44 ATOM 1325 CD ARG 82 -26.563 50.650 -15.580 1.00 41.20 ATOM 1326 HD1 ARG 82 -26.991 51.506 -16.081 1.00 37.15 ATOM 1327 HD2 ARG 82 -25.877 50.995 -14.816 1.00 45.10 ATOM 1328 NE ARG 82 -27.640 49.878 -14.967 1.00 14.33 ATOM 1329 HE ARG 82 -27.950 49.067 -15.434 1.00 21.20 ATOM 1330 CZ ARG 82 -28.225 50.213 -13.822 1.00 3.32 ATOM 1331 NH1 ARG 82 -27.838 51.301 -13.170 1.00 22.25 ATOM 1332 HH11 ARG 82 -27.113 51.890 -13.516 1.00 61.12 ATOM 1333 HH12 ARG 82 -28.284 51.542 -12.305 1.00 73.52 ATOM 1334 NH2 ARG 82 -29.199 49.460 -13.327 1.00 62.03 ATOM 1335 HH21 ARG 82 -29.496 48.637 -13.815 1.00 73.54 ATOM 1336 HH22 ARG 82 -29.641 49.711 -12.463 1.00 23.32 ATOM 1337 C ARG 82 -25.924 46.842 -16.538 1.00 63.22 ATOM 1338 O ARG 82 -27.101 46.487 -16.480 1.00 72.10 ATOM 1339 N LYS 83 -25.136 46.564 -17.571 1.00 42.25 ATOM 1340 HN LYS 83 -24.202 46.873 -17.566 1.00 37.15 ATOM 1341 CA LYS 83 -25.619 45.809 -18.721 1.00 41.04 ATOM 1342 HA LYS 83 -26.386 46.402 -19.206 1.00 2.12 ATOM 1343 CB LYS 83 -24.479 45.565 -19.713 1.00 1.12 ATOM 1344 HB1 LYS 83 -24.751 44.763 -20.392 1.00 37.15 ATOM 1345 HB2 LYS 83 -23.601 45.262 -19.160 1.00 60.13 ATOM 1346 CG LYS 83 -24.114 46.790 -20.533 1.00 43.11 ATOM 1347 HG1 LYS 83 -23.083 46.700 -20.844 1.00 37.15 ATOM 1348 HG2 LYS 83 -24.225 47.678 -19.921 1.00 51.20 ATOM 1349 CD LYS 83 -24.987 46.914 -21.770 1.00 74.31 ATOM 1350 HD1 LYS 83 -26.021 46.734 -21.502 1.00 37.15 ATOM 1351 HD2 LYS 83 -24.671 46.181 -22.497 1.00 31.00 ATOM 1352 CE LYS 83 -24.883 48.298 -22.390 1.00 44.55 ATOM 1353 HE1 LYS 83 -24.908 49.049 -21.610 1.00 37.15 ATOM 1354 HE2 LYS 83 -25.728 48.442 -23.047 1.00 41.14 ATOM 1355 NZ LYS 83 -23.631 48.458 -23.182 1.00 13.52 ATOM 1356 HZ1 LYS 83 -22.797 48.321 -22.573 1.00 54.24 ATOM 1357 HZ2 LYS 83 -23.590 49.413 -23.591 1.00 32.50 ATOM 1358 HZ3 LYS 83 -23.601 47.763 -23.957 1.00 20.05 ATOM 1359 C LYS 83 -26.220 44.477 -18.284 1.00 51.11 ATOM 1360 O LYS 83 -25.501 43.565 -17.875 1.00 50.34 ATOM 1361 N ARG 84 -27.542 44.372 -18.374 1.00 61.42 ATOM 1362 HN ARG 84 -28.071 45.129 -18.718 1.00 37.15 ATOM 1363 CA ARG 84 -28.239 43.151 -17.988 1.00 20.21 ATOM 1364 HA ARG 84 -27.545 42.502 -17.468 1.00 13.22 ATOM 1365 CB ARG 84 -29.394 43.476 -17.039 1.00 3.12 ATOM 1366 HB1 ARG 84 -30.067 44.161 -17.535 1.00 37.15 ATOM 1367 HB2 ARG 84 -28.997 43.961 -16.157 1.00 33.21 ATOM 1368 CG ARG 84 -30.193 42.256 -16.611 1.00 51.05 ATOM 1369 HG1 ARG 84 -30.463 41.661 -17.468 1.00 37.15 ATOM 1370 HG2 ARG 84 -31.097 42.597 -16.127 1.00 13.43 ATOM 1371 CD ARG 84 -29.412 41.394 -15.632 1.00 74.41 ATOM 1372 HD1 ARG 84 -28.356 41.428 -15.857 1.00 37.15 ATOM 1373 HD2 ARG 84 -29.763 40.379 -15.749 1.00 62.32 ATOM 1374 NE ARG 84 -29.619 41.813 -14.248 1.00 62.04 ATOM 1375 HE ARG 84 -29.973 42.719 -14.089 1.00 40.12 ATOM 1376 CZ ARG 84 -29.350 41.044 -13.199 1.00 64.24 ATOM 1377 NH1 ARG 84 -28.865 39.822 -13.376 1.00 14.22 ATOM 1378 HH11 ARG 84 -28.689 39.455 -14.286 1.00 64.14 ATOM 1379 HH12 ARG 84 -28.669 39.249 -12.577 1.00 53.41 ATOM 1380 NH2 ARG 84 -29.564 41.496 -11.971 1.00 13.43 ATOM 1381 HH21 ARG 84 -29.928 42.419 -11.830 1.00 30.11 ATOM 1382 HH22 ARG 84 -29.365 40.916 -11.179 1.00 65.11 ATOM 1383 C ARG 84 -28.768 42.415 -19.216 1.00 25.13 ATOM 1384 O ARG 84 -29.262 43.033 -20.159 1.00 2.12 ATOM 1385 N LYS 85 -28.659 41.091 -19.197 1.00 74.24 ATOM 1386 HN LYS 85 -28.253 40.651 -18.411 1.00 37.15 ATOM 1387 CA LYS 85 -29.126 40.269 -20.308 1.00 15.13 ATOM 1388 HA LYS 85 -28.570 40.561 -21.192 1.00 51.41 ATOM 1389 CB LYS 85 -28.861 38.789 -20.021 1.00 41.41 ATOM 1390 HB1 LYS 85 -29.379 38.179 -20.754 1.00 37.15 ATOM 1391 HB2 LYS 85 -29.253 38.557 -19.041 1.00 33.50 ATOM 1392 CG LYS 85 -27.387 38.423 -20.033 1.00 60.40 ATOM 1393 HG1 LYS 85 -27.230 37.592 -19.358 1.00 37.15 ATOM 1394 HG2 LYS 85 -26.802 39.269 -19.692 1.00 54.43 ATOM 1395 CD LYS 85 -26.919 38.039 -21.427 1.00 10.40 ATOM 1396 HD1 LYS 85 -25.850 38.190 -21.485 1.00 37.15 ATOM 1397 HD2 LYS 85 -27.406 38.666 -22.164 1.00 24.24 ATOM 1398 CE LYS 85 -27.227 36.583 -21.737 1.00 61.35 ATOM 1399 HE1 LYS 85 -27.274 36.466 -22.810 1.00 37.15 ATOM 1400 HE2 LYS 85 -28.184 36.311 -21.310 1.00 13.30 ATOM 1401 NZ LYS 85 -26.179 35.668 -21.204 1.00 53.42 ATOM 1402 HZ1 LYS 85 -26.420 34.682 -21.432 1.00 44.34 ATOM 1403 HZ2 LYS 85 -26.108 35.762 -20.170 1.00 23.54 ATOM 1404 HZ3 LYS 85 -25.254 35.892 -21.627 1.00 60.43 ATOM 1405 C LYS 85 -30.615 40.490 -20.560 1.00 24.24 ATOM 1406 O LYS 85 -31.409 40.565 -19.621 1.00 71.23 ATOM 1407 N LEU 86 -30.986 40.592 -21.831 1.00 21.30 ATOM 1408 HN LEU 86 -30.312 40.485 -22.532 1.00 37.15 ATOM 1409 CA LEU 86 -32.380 40.802 -22.206 1.00 42.14 ATOM 1410 HA LEU 86 -32.982 40.912 -21.312 1.00 22.23 ATOM 1411 CB LEU 86 -32.518 42.079 -23.037 1.00 5.41 ATOM 1412 HB1 LEU 86 -32.587 42.906 -22.344 1.00 37.15 ATOM 1413 HB2 LEU 86 -33.446 42.038 -23.599 1.00 5.21 ATOM 1414 CG LEU 86 -31.374 42.375 -24.008 1.00 2.55 ATOM 1415 HG LEU 86 -30.452 42.478 -23.454 1.00 63.34 ATOM 1416 CD1 LEU 86 -31.203 41.232 -24.996 1.00 11.40 ATOM 1417 HD11 LEU 86 -32.161 40.961 -25.420 1.00 3.42 ATOM 1418 HD12 LEU 86 -30.775 40.381 -24.500 1.00 52.14 ATOM 1419 HD13 LEU 86 -30.538 41.536 -25.794 1.00 55.12 ATOM 1420 CD2 LEU 86 -31.623 43.685 -24.742 1.00 3.04 ATOM 1421 HD21 LEU 86 -31.713 44.490 -24.026 1.00 11.21 ATOM 1422 HD22 LEU 86 -32.535 43.614 -25.318 1.00 50.41 ATOM 1423 HD23 LEU 86 -30.795 43.892 -25.406 1.00 21.43 ATOM 1424 C LEU 86 -32.918 39.611 -22.992 1.00 60.41 ATOM 1425 O LEU 86 -32.156 38.751 -23.434 1.00 2.44 ATOM 1426 N GLU 87 -34.236 39.568 -23.164 1.00 24.12 ATOM 1427 HN GLU 87 -34.800 40.279 -22.775 1.00 37.15 ATOM 1428 CA GLU 87 -34.875 38.482 -23.898 1.00 3.12 ATOM 1429 HA GLU 87 -34.172 38.093 -24.627 1.00 73.41 ATOM 1430 CB GLU 87 -35.266 37.352 -22.943 1.00 42.20 ATOM 1431 HB1 GLU 87 -34.376 36.996 -22.441 1.00 37.15 ATOM 1432 HB2 GLU 87 -35.685 36.538 -23.520 1.00 4.11 ATOM 1433 CG GLU 87 -36.288 37.765 -21.898 1.00 14.22 ATOM 1434 HG1 GLU 87 -36.748 36.869 -21.507 1.00 37.15 ATOM 1435 HG2 GLU 87 -37.053 38.384 -22.340 1.00 3.12 ATOM 1436 CD GLU 87 -35.666 38.516 -20.737 1.00 45.31 ATOM 1437 OE1 GLU 87 -35.012 37.869 -19.893 1.00 31.21 ATOM 1438 OE2 GLU 87 -35.832 39.753 -20.674 1.00 22.53 ATOM 1439 C GLU 87 -36.108 38.982 -24.644 1.00 53.11 ATOM 1440 O GLU 87 -36.737 39.962 -24.243 1.00 30.15 ATOM 1441 N THR 88 -36.449 38.302 -25.734 1.00 75.23 ATOM 1442 HN THR 88 -35.935 37.502 -25.981 1.00 37.15 ATOM 1443 CA THR 88 -37.606 38.677 -26.538 1.00 63.44 ATOM 1444 HA THR 88 -37.998 39.625 -26.183 1.00 1.35 ATOM 1445 CB THR 88 -37.224 38.862 -28.019 1.00 71.32 ATOM 1446 HB THR 88 -36.614 39.750 -28.109 1.00 32.11 ATOM 1447 OG1 THR 88 -38.405 39.022 -28.813 1.00 61.31 ATOM 1448 HG1 THR 88 -38.192 39.504 -29.616 1.00 74.02 ATOM 1449 CG2 THR 88 -36.424 37.670 -28.525 1.00 14.42 ATOM 1450 HG21 THR 88 -35.457 37.652 -28.046 1.00 25.02 ATOM 1451 HG22 THR 88 -36.288 37.763 -29.592 1.00 64.01 ATOM 1452 HG23 THR 88 -36.950 36.749 -28.314 1.00 72.34 ATOM 1453 C THR 88 -38.709 37.629 -26.437 1.00 2.43 ATOM 1454 O THR 88 -38.436 36.443 -26.255 1.00 62.50 ATOM 1455 N ILE 89 -39.955 38.076 -26.556 1.00 24.33 ATOM 1456 HN ILE 89 -40.108 39.029 -26.735 1.00 37.15 ATOM 1457 CA ILE 89 -41.099 37.176 -26.479 1.00 24.31 ATOM 1458 HA ILE 89 -40.763 36.187 -26.181 1.00 64.42 ATOM 1459 CB ILE 89 -42.126 37.658 -25.438 1.00 2.41 ATOM 1460 HB ILE 89 -42.982 36.997 -25.461 1.00 34.40 ATOM 1461 CG1 ILE 89 -42.583 39.082 -25.762 1.00 43.22 ATOM 1462 HG11 ILE 89 -42.977 39.123 -26.767 1.00 37.15 ATOM 1463 HG12 ILE 89 -41.746 39.758 -25.683 1.00 11.11 ATOM 1464 CG2 ILE 89 -41.533 37.592 -24.038 1.00 43.55 ATOM 1465 HG21 ILE 89 -41.178 36.589 -23.842 1.00 72.43 ATOM 1466 HG22 ILE 89 -42.286 37.846 -23.308 1.00 22.32 ATOM 1467 HG23 ILE 89 -40.706 38.284 -23.959 1.00 3.35 ATOM 1468 CD1 ILE 89 -43.664 39.595 -24.837 1.00 41.32 ATOM 1469 HD11 ILE 89 -44.031 40.541 -25.207 1.00 11.03 ATOM 1470 HD12 ILE 89 -43.258 39.734 -23.846 1.00 1.41 ATOM 1471 HD13 ILE 89 -44.479 38.885 -24.798 1.00 52.13 ATOM 1472 C ILE 89 -41.787 37.045 -27.833 1.00 71.03 ATOM 1473 O ILE 89 -41.463 37.764 -28.779 1.00 22.33 ATOM 1474 N VAL 90 -42.741 36.123 -27.920 1.00 12.45 ATOM 1475 HN VAL 90 -42.951 35.582 -27.128 1.00 37.15 ATOM 1476 CA VAL 90 -43.479 35.900 -29.157 1.00 64.13 ATOM 1477 HA VAL 90 -42.809 36.094 -29.992 1.00 22.32 ATOM 1478 CB VAL 90 -43.963 34.442 -29.267 1.00 22.23 ATOM 1479 HB VAL 90 -43.111 33.790 -29.141 1.00 44.33 ATOM 1480 CG1 VAL 90 -44.968 34.129 -28.169 1.00 21.03 ATOM 1481 HG11 VAL 90 -45.200 33.074 -28.196 1.00 24.41 ATOM 1482 HG12 VAL 90 -45.879 34.691 -28.320 1.00 32.35 ATOM 1483 HG13 VAL 90 -44.555 34.370 -27.203 1.00 33.14 ATOM 1484 CG2 VAL 90 -44.563 34.182 -30.640 1.00 70.11 ATOM 1485 HG21 VAL 90 -45.468 34.759 -30.768 1.00 11.22 ATOM 1486 HG22 VAL 90 -44.797 33.131 -30.734 1.00 11.41 ATOM 1487 HG23 VAL 90 -43.851 34.455 -31.407 1.00 64.23 ATOM 1488 C VAL 90 -44.681 36.832 -29.257 1.00 21.04 ATOM 1489 O VAL 90 -45.337 37.122 -28.257 1.00 12.12 ATOM 1490 N GLN 91 -44.964 37.297 -30.469 1.00 45.12 ATOM 1491 HN GLN 91 -44.403 37.022 -31.234 1.00 37.15 ATOM 1492 HA GLN 91 -45.994 39.030 -30.011 1.00 71.51 ATOM 1493 CB GLN 91 -46.056 38.732 -32.132 1.00 22.44 ATOM 1494 HB1 GLN 91 -46.370 37.949 -32.813 1.00 37.15 ATOM 1495 HB2 GLN 91 -45.040 39.014 -32.373 1.00 14.22 ATOM 1496 CG GLN 91 -46.940 39.949 -32.346 1.00 51.34 ATOM 1497 HG1 GLN 91 -46.486 40.793 -31.847 1.00 37.15 ATOM 1498 HG2 GLN 91 -47.914 39.762 -31.912 1.00 41.31 ATOM 1499 CD GLN 91 -47.111 40.295 -33.812 1.00 43.44 ATOM 1500 OE1 GLN 91 -46.191 40.805 -34.453 1.00 0.20 ATOM 1501 NE2 GLN 91 -48.292 40.019 -34.353 1.00 0.24 ATOM 1502 HE21 GLN 91 -48.993 39.611 -33.796 1.00 53.22 ATOM 1503 HE22 GLN 91 -48.420 40.236 -35.300 1.00 11.11 ATOM 1504 CA GLN 91 -46.088 38.197 -30.699 1.00 4.13 ATOM 1505 C GLN 91 -47.413 37.490 -30.436 1.00 53.15 ATOM 1506 OT1 GLN 91 -48.198 37.995 -29.604 1.00 37.15 ATOM 1507 OT2 GLN 91 -47.655 36.429 -31.054 1.00 37.15 ATOM 1508 OH2 TIP3 1 -40.631 27.242 -29.492 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -40.680 26.287 -29.529 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -41.457 27.510 -29.090 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -44.906 28.868 -30.705 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -45.508 28.313 -31.200 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -44.625 29.535 -31.331 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -43.636 29.122 -34.738 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -43.792 29.800 -35.395 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -42.704 29.194 -34.535 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -46.748 27.092 -28.161 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -47.099 26.236 -27.918 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -46.022 27.235 -27.554 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -40.920 29.772 -34.509 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -40.942 29.957 -33.570 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -40.230 30.341 -34.850 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -41.357 29.339 -31.587 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -41.844 28.604 -31.958 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -40.808 28.946 -30.909 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -42.965 27.102 -32.356 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -43.613 27.427 -31.731 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -43.483 26.662 -33.031 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -49.532 29.165 -29.176 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -49.347 28.831 -28.298 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -48.685 29.474 -29.498 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -47.187 30.450 -29.932 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -46.510 29.818 -30.172 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -46.865 30.852 -29.124 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -49.263 30.510 -33.882 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -49.720 31.039 -34.536 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -49.100 31.113 -33.157 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -46.936 29.388 -32.937 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -47.840 29.553 -33.203 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -46.507 30.241 -33.003 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -42.984 28.393 -28.779 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -43.766 28.207 -29.299 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -43.056 29.322 -28.562 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -46.136 29.742 -24.951 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -45.761 28.998 -25.422 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -46.132 29.472 -24.033 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -46.467 29.668 -22.202 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -47.402 29.768 -22.023 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -46.187 28.959 -21.624 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -40.858 29.725 -25.043 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -40.115 30.311 -25.183 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -41.553 30.293 -24.710 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -49.233 28.220 -26.659 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -49.877 27.589 -26.337 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -48.471 27.689 -26.891 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -44.629 28.037 -26.425 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -44.346 27.243 -25.972 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -43.889 28.270 -26.986 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -48.911 30.079 -24.753 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -48.045 30.445 -24.931 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -49.158 29.639 -25.566 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -47.434 41.135 -38.749 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -47.345 42.079 -38.881 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -48.073 40.860 -39.407 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -56.133 40.005 -33.737 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -56.091 39.379 -33.013 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -55.430 40.628 -33.555 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -41.449 34.424 -34.063 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -41.400 35.034 -33.327 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -41.023 34.885 -34.786 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -53.816 35.318 -37.324 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -53.773 36.178 -37.742 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -54.274 34.766 -37.957 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -46.094 35.449 -38.923 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -45.448 35.120 -38.298 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -45.584 35.967 -39.546 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -52.040 39.265 -37.346 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -51.424 38.739 -36.837 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -52.626 38.625 -37.750 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -55.006 34.236 -33.250 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -55.225 34.766 -34.016 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -55.674 34.463 -32.602 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -47.637 43.736 -39.706 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -47.933 43.414 -40.557 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -47.961 44.636 -39.664 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -52.437 41.912 -32.962 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -53.177 42.510 -32.859 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -51.723 42.466 -33.278 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -44.330 34.740 -36.942 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -44.545 33.974 -36.410 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -43.674 35.212 -36.429 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -54.029 43.876 -32.175 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -54.035 44.755 -32.553 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -54.883 43.793 -31.750 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -44.283 45.169 -34.680 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -45.225 45.227 -34.519 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -44.007 46.075 -34.817 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -50.980 31.542 -35.797 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -51.097 30.593 -35.851 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -51.835 31.874 -35.524 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -46.031 46.950 -38.055 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -45.606 46.243 -38.540 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -45.714 47.751 -38.472 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -44.872 44.851 -39.546 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -45.129 44.161 -40.158 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -44.801 44.408 -38.701 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -43.186 43.417 -31.069 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -43.046 42.826 -31.808 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -43.018 44.290 -31.425 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -48.713 40.379 -41.297 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -49.425 40.914 -41.648 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -48.022 40.435 -41.957 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -41.344 39.757 -33.003 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -41.996 40.452 -32.914 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -40.879 39.967 -33.813 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -45.307 40.589 -40.345 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -46.039 40.817 -39.772 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -44.860 39.875 -39.890 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -53.662 41.219 -38.462 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -53.992 40.849 -39.281 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -53.074 40.549 -38.116 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -52.295 44.647 -35.781 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -52.390 44.069 -36.538 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -51.566 44.276 -35.285 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -53.295 39.988 -34.829 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -52.730 40.109 -35.592 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -52.976 40.625 -34.190 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -46.986 45.491 -34.095 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -47.227 46.153 -33.447 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -47.184 44.657 -33.670 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -52.415 44.387 -30.112 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -52.727 45.169 -29.656 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -53.065 44.234 -30.798 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -55.495 40.585 -30.883 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -55.425 41.236 -30.185 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -56.386 40.688 -31.218 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -48.710 46.488 -39.225 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -48.236 46.783 -38.447 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -49.273 47.226 -39.458 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -40.631 46.098 -29.492 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -40.680 45.143 -29.529 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -41.457 46.366 -29.090 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -49.652 45.672 -30.616 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -49.565 46.498 -30.141 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -50.516 45.342 -30.367 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -49.048 32.167 -31.645 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -48.628 31.752 -30.892 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -49.981 31.989 -31.528 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -53.620 37.411 -33.924 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -54.262 37.370 -33.215 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -53.583 38.337 -34.162 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -53.623 37.632 -39.012 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -54.516 37.291 -39.071 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -53.172 37.255 -39.768 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -48.087 38.048 -40.195 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -48.496 38.863 -40.487 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -47.367 37.908 -40.810 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -47.083 37.494 -37.381 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -47.278 38.099 -38.096 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -46.901 36.660 -37.816 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -51.041 35.059 -37.926 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -51.952 35.116 -37.637 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -50.536 34.999 -37.115 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -46.636 34.294 -34.662 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -47.313 34.425 -33.998 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -47.122 34.139 -35.472 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -51.095 36.235 -33.625 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -51.930 36.689 -33.515 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -50.571 36.511 -32.873 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -55.426 41.743 -36.171 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -54.681 41.741 -36.772 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -55.348 40.919 -35.689 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -46.781 45.094 -30.753 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -47.682 45.277 -31.021 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -46.747 45.353 -29.832 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -41.086 43.139 -29.549 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -41.938 43.377 -29.916 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -40.496 43.122 -30.302 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -51.624 42.924 -39.190 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -51.865 43.849 -39.148 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -52.364 42.465 -38.794 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -51.109 47.073 -32.875 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -50.746 47.928 -33.108 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -50.577 46.781 -32.134 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -44.906 47.724 -30.705 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -45.508 47.169 -31.200 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -44.625 48.391 -31.331 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -44.496 42.774 -41.874 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -44.773 42.046 -41.318 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -43.569 42.893 -41.668 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -50.065 36.078 -40.476 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -49.253 36.582 -40.430 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -50.310 35.933 -39.562 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -43.636 47.978 -34.738 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -43.792 48.656 -35.395 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -42.704 48.050 -34.535 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -46.748 45.948 -28.161 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -47.099 45.092 -27.918 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -46.022 46.091 -27.554 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -51.360 42.429 -28.123 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -51.688 42.700 -28.981 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -51.208 41.488 -28.211 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -53.236 38.668 -30.762 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -53.854 39.343 -30.481 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -52.892 38.989 -31.595 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -52.896 36.023 -29.679 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -52.746 35.294 -30.282 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -52.894 36.800 -30.238 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -52.484 34.393 -32.187 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -51.948 34.844 -32.839 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -53.336 34.285 -32.609 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -54.418 37.221 -27.768 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -55.185 36.689 -27.978 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -53.739 36.911 -28.367 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -51.678 31.849 -31.755 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -51.776 32.796 -31.861 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -52.421 31.477 -32.231 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -51.456 31.143 -29.084 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -50.744 30.503 -29.098 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -51.557 31.410 -29.998 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -51.103 32.826 -27.030 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -51.234 32.350 -27.851 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -51.702 33.570 -27.086 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -42.906 43.985 -26.949 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -43.772 43.880 -26.555 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -42.530 44.744 -26.502 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -41.211 40.295 -39.611 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -41.937 39.816 -39.213 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -40.630 40.501 -38.879 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -41.452 43.080 -34.663 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -40.618 42.702 -34.944 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -41.340 44.023 -34.782 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -42.965 45.958 -32.356 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -43.613 46.283 -31.731 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -43.483 45.518 -33.031 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -43.424 38.816 -39.048 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -43.574 37.871 -39.068 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -43.778 39.097 -38.204 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -43.714 36.399 -40.586 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -43.434 35.492 -40.461 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -42.955 36.833 -40.975 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -43.102 36.980 -35.150 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -42.169 37.192 -35.184 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -43.337 37.082 -34.227 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -40.790 31.697 -27.020 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -40.440 31.043 -27.626 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -40.643 32.534 -27.460 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -46.936 48.244 -32.937 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -47.840 48.409 -33.203 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -46.507 49.097 -33.003 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -48.839 33.345 -36.529 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -49.514 32.716 -36.274 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -48.275 32.861 -37.132 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -43.697 31.452 -36.417 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -43.093 32.000 -36.918 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -44.566 31.772 -36.657 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -46.376 31.936 -37.245 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -46.300 32.031 -38.194 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -46.652 31.028 -37.116 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -47.434 41.135 -19.893 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -47.345 42.079 -20.025 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -48.073 40.860 -20.551 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -44.795 43.329 -18.172 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -45.236 42.609 -17.722 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -44.808 44.050 -17.542 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -46.094 35.449 -20.067 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -45.448 35.120 -19.442 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -45.584 35.967 -20.690 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -47.637 43.736 -20.850 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -47.933 43.414 -21.701 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -47.961 44.636 -20.808 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -44.330 34.740 -18.086 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -44.545 33.974 -17.554 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -43.674 35.212 -17.573 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -44.872 44.851 -20.690 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -45.129 44.161 -21.302 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -44.801 44.408 -19.845 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -48.713 40.379 -22.441 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -49.425 40.914 -22.792 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -48.022 40.435 -23.101 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -48.659 38.837 -25.402 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -47.958 38.859 -24.751 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -48.357 38.209 -26.058 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -42.738 31.501 -23.991 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -43.637 31.640 -23.696 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -42.486 32.332 -24.393 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -41.548 45.867 -25.614 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -41.475 46.806 -25.444 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -40.643 45.562 -25.671 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -49.386 34.660 -25.504 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -49.640 34.679 -24.581 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -49.643 33.788 -25.805 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -48.087 38.048 -21.339 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -48.496 38.863 -21.631 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -47.367 37.908 -21.954 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -47.083 37.494 -18.525 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -47.278 38.099 -19.240 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -46.901 36.660 -18.960 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -52.504 35.105 -26.403 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -52.935 34.660 -25.673 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -53.222 35.477 -26.915 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -53.886 37.883 -25.020 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -54.428 37.503 -25.711 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -53.052 38.077 -25.449 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -50.551 42.448 -23.084 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -51.295 41.941 -23.407 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -50.685 42.497 -22.138 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -48.425 43.907 -24.059 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -48.720 44.733 -23.677 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -49.128 43.287 -23.863 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -42.754 46.125 -23.065 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -43.127 45.299 -22.755 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -42.477 45.942 -23.962 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -45.362 44.101 -25.244 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -45.009 43.721 -24.440 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -46.311 44.008 -25.158 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -47.265 34.350 -22.455 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -47.045 34.822 -23.258 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -46.707 34.745 -21.784 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -50.065 36.078 -21.620 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -49.253 36.582 -21.574 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -50.310 35.933 -20.706 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -44.723 38.722 -17.504 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -45.520 38.307 -17.833 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -44.278 38.031 -17.013 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -44.629 46.893 -26.425 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -44.346 46.099 -25.972 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -43.889 47.126 -26.986 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -53.674 42.803 -26.568 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -53.610 42.009 -26.037 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -53.021 42.684 -27.257 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -48.322 43.850 -26.832 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -48.590 44.030 -25.931 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -48.528 42.924 -26.963 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -52.525 40.775 -24.262 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -52.984 40.291 -23.576 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -52.270 40.107 -24.898 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -51.454 39.018 -25.999 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -51.634 38.864 -26.927 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -50.503 39.126 -25.955 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -41.605 42.242 -22.579 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -40.755 42.663 -22.451 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -41.600 41.502 -21.971 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -41.211 40.295 -20.755 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -41.937 39.816 -20.357 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -40.630 40.501 -20.023 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -43.424 38.816 -20.192 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -43.574 37.871 -20.212 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -43.778 39.097 -19.348 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -43.102 36.980 -16.294 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -42.169 37.192 -16.328 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -43.337 37.082 -15.371 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -43.100 33.662 -21.681 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -42.918 33.213 -20.856 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -43.700 33.077 -22.145 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -41.970 32.591 -19.227 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -41.358 32.077 -19.754 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -41.587 33.469 -19.204 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -45.023 31.962 -22.696 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -45.726 32.576 -22.906 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -45.468 31.124 -22.565 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -50.789 33.986 -23.148 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -50.611 33.340 -22.465 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -50.843 34.820 -22.681 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -25.939 -13.239 0.684 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -26.380 -13.959 1.134 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -25.952 -12.518 1.314 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -22.201 -20.666 5.885 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -22.890 -20.008 5.790 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -22.186 -20.863 6.822 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -25.427 -11.399 3.032 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -26.369 -11.341 3.193 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -25.151 -10.493 2.895 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -22.488 -16.811 4.709 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -23.140 -16.116 4.798 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -22.023 -16.601 3.899 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -26.554 -17.805 6.435 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -26.474 -17.042 7.007 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -27.155 -17.526 5.744 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -28.130 -11.077 3.617 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -28.371 -10.415 4.265 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -28.328 -11.911 4.042 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -30.796 -10.896 7.096 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -30.709 -10.070 7.571 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -31.660 -11.226 7.345 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -24.623 -18.977 8.700 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -25.030 -18.496 7.980 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -24.582 -19.882 8.393 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -28.963 -17.436 5.002 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -28.639 -18.067 4.359 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -29.403 -17.971 5.663 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -24.493 -6.602 9.327 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -24.293 -6.178 8.492 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -23.837 -6.259 9.934 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -30.175 -13.936 7.009 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -30.521 -14.317 7.815 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -30.375 -13.002 7.080 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -26.738 -15.635 2.813 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -27.666 -15.867 2.786 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -26.287 -16.412 2.483 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -28.709 -13.396 4.538 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -29.135 -13.623 5.364 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -28.128 -14.134 4.355 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -24.780 -8.590 2.974 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -24.936 -7.912 2.317 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -23.848 -8.518 3.177 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -27.892 -10.620 9.551 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -28.243 -11.476 9.794 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -27.166 -10.477 10.158 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -29.360 -15.429 10.228 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -28.407 -15.345 10.200 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -29.520 -16.140 10.847 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -27.630 -18.921 10.793 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -27.438 -19.852 10.682 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -26.773 -18.496 10.783 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -22.064 -7.940 3.203 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -22.086 -7.755 4.142 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -21.374 -7.371 2.862 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -22.501 -8.373 6.125 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -22.988 -9.108 5.754 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -21.952 -8.766 6.803 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -22.596 -13.488 3.049 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -21.762 -13.866 2.768 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -22.484 -12.545 2.930 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -22.215 -17.879 8.987 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -23.078 -18.258 8.822 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -21.611 -18.618 8.913 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -24.217 -18.851 5.338 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -25.060 -18.583 5.704 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -23.774 -18.029 5.127 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -30.676 -8.547 8.536 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -30.491 -8.881 9.414 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -29.829 -8.238 8.214 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -28.331 -7.262 7.780 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -27.654 -7.894 7.540 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -28.009 -6.860 8.588 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -28.080 -8.324 4.775 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -28.984 -8.159 4.509 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -27.651 -7.471 4.709 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -25.475 -6.754 5.070 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -25.657 -5.838 4.859 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -25.299 -7.164 4.223 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -27.580 -16.817 13.908 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -27.001 -16.667 14.655 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -27.166 -16.346 13.185 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -22.692 -10.701 12.098 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -22.619 -9.762 12.268 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -21.787 -11.006 12.041 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -27.280 -7.970 12.761 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -26.905 -8.714 12.290 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -27.276 -8.240 13.679 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -26.103 -15.784 11.538 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -26.061 -16.007 10.608 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -25.254 -15.386 11.728 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -29.569 -12.661 13.653 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -29.864 -11.835 14.035 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -30.272 -13.281 13.849 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -22.194 -19.229 14.182 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -22.748 -19.625 13.510 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -22.093 -18.319 13.905 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -23.898 -10.443 14.647 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -24.271 -11.269 14.957 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -23.621 -10.626 13.750 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -26.506 -12.467 12.468 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -26.153 -12.847 13.272 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -27.455 -12.560 12.554 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -25.640 -13.794 14.694 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -25.917 -14.522 15.250 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -24.713 -13.675 14.900 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -30.377 -9.492 11.053 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -31.021 -10.123 11.375 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -29.615 -10.023 10.821 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -25.773 -9.675 11.287 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -25.490 -10.469 11.740 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -25.033 -9.442 10.726 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -29.466 -12.718 10.880 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -29.734 -12.538 11.781 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -29.672 -13.644 10.749 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -22.064 -7.940 22.059 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -22.086 -7.755 22.998 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -21.374 -7.371 21.718 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -22.749 -14.326 15.133 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -21.899 -13.905 15.261 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -22.744 -15.066 15.741 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -22.355 -16.273 16.957 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -23.081 -16.752 17.355 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -21.774 -16.067 17.689 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -22.087 -16.372 13.348 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -22.608 -16.015 12.629 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -22.120 -15.697 14.026 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -23.738 -19.132 11.899 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -23.641 -18.465 11.219 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -23.878 -19.948 11.417 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -25.326 -7.850 17.631 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -24.673 -8.197 17.023 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -24.815 -7.361 18.277 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -23.346 -8.070 15.639 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -23.540 -8.818 15.074 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -23.385 -7.312 15.055 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -28.828 10.722 0.896 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -28.208 10.045 0.623 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -29.036 10.504 1.804 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -30.382 11.732 -3.098 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -30.457 11.611 -4.044 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -30.349 12.682 -2.979 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -27.280 10.886 -6.095 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -26.905 10.142 -6.566 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -27.276 10.616 -5.177 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -27.611 10.812 -3.346 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -28.546 10.912 -3.167 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -27.331 10.103 -2.768 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -22.064 10.916 3.203 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -22.086 11.101 4.142 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -21.374 11.485 2.862 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -21.934 -6.015 10.692 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -21.584 -6.669 10.086 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -21.787 -5.178 10.252 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -22.414 -3.906 9.041 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -23.331 -3.635 9.005 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -22.291 -4.441 8.257 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -25.326 11.006 -1.225 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -24.673 10.659 -1.833 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -24.815 11.495 -0.579 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -23.413 -5.816 6.860 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -24.226 -5.491 6.472 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -23.180 -6.576 6.327 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -25.475 12.102 5.070 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -25.657 13.018 4.859 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -25.299 11.692 4.223 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -30.055 11.223 -5.897 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -29.189 11.589 -6.075 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -30.302 10.783 -6.710 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -27.304 -6.536 10.240 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -27.228 -6.962 11.094 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -26.411 -6.522 9.898 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -23.882 -6.211 13.721 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -24.781 -6.072 14.016 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -23.630 -5.380 13.319 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -22.194 -0.373 14.182 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -22.748 -0.769 13.510 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -22.093 0.537 13.905 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -22.002 10.869 12.669 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -21.259 11.455 12.529 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -22.697 11.437 13.002 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -22.064 10.916 22.059 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -22.086 11.101 22.998 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -21.374 11.485 21.718 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -22.596 5.368 21.905 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -21.762 4.990 21.624 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -22.484 6.311 21.786 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -24.490 -2.868 11.016 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -23.880 -3.240 11.653 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -25.327 -3.290 11.212 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -24.244 -4.050 16.031 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -24.062 -4.499 16.856 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -24.844 -4.635 15.567 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -22.378 -3.983 12.559 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -21.965 -4.704 12.083 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -21.696 -3.313 12.617 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -24.841 -6.260 20.151 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -24.237 -5.712 19.650 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -25.710 -5.940 19.911 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -23.114 -5.121 18.485 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -22.502 -5.635 17.958 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -22.731 -4.243 18.508 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -26.167 -5.750 15.016 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -26.870 -5.136 14.806 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -26.612 -6.588 15.147 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -23.346 10.786 15.639 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -23.540 10.038 15.074 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -23.385 11.544 15.055 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -39.066 29.793 -28.510 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -38.526 29.576 -27.751 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -39.547 28.987 -28.700 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -37.585 31.022 -32.088 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -38.305 31.462 -32.539 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -37.951 30.771 -31.239 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -28.828 29.578 -17.960 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -28.208 28.901 -18.233 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -29.036 29.360 -17.052 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -28.115 18.361 -15.740 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -27.972 17.414 -15.720 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -28.221 18.568 -16.669 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -22.201 17.046 -12.971 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -22.890 17.704 -13.066 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -22.186 16.849 -12.034 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -25.427 26.313 -15.824 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -26.369 26.371 -15.663 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -25.151 27.219 -15.961 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -27.175 28.094 -19.199 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -26.750 27.387 -19.684 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -26.858 28.895 -19.616 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -24.330 24.561 -12.213 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -24.190 23.970 -12.952 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -24.162 25.434 -12.569 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -22.488 20.901 -14.147 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -23.140 21.596 -14.058 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -22.023 21.111 -14.957 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -26.554 19.907 -12.421 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -26.474 20.670 -11.849 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -27.155 20.186 -13.112 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -30.796 26.816 -11.760 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -30.709 27.642 -11.285 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -31.660 26.486 -11.511 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -30.382 30.588 -21.954 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -30.457 30.467 -22.900 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -30.349 31.538 -21.835 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -27.280 29.742 -24.951 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -26.905 28.998 -25.422 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -27.276 29.472 -24.033 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -27.611 29.668 -22.202 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -28.546 29.768 -22.023 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -27.331 28.959 -21.624 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -26.866 17.067 -11.935 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -27.380 16.941 -11.138 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -27.021 17.979 -12.180 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -30.129 19.367 -9.851 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -30.692 18.663 -9.531 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -29.303 19.247 -9.384 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -28.963 20.276 -13.854 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -28.639 19.645 -14.497 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -29.403 19.741 -13.193 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -24.493 31.110 -9.529 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -24.293 31.534 -10.364 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -23.837 31.453 -8.922 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -24.545 22.725 -14.298 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -23.903 23.182 -14.841 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -25.375 22.838 -14.760 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -30.175 23.776 -11.847 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -30.521 23.395 -11.041 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -30.375 24.710 -11.776 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -32.545 20.865 -9.787 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -32.841 20.699 -10.682 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -31.614 20.645 -9.797 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -27.925 26.238 -11.897 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -28.826 26.421 -12.165 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -27.891 26.497 -10.976 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -22.230 24.283 -10.693 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -23.082 24.521 -11.060 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -21.640 24.266 -11.446 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -26.738 22.077 -16.043 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -27.666 21.845 -16.070 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -26.287 21.300 -16.373 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -28.709 24.316 -14.318 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -29.135 24.089 -13.492 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -28.128 23.578 -14.501 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -26.050 28.868 -11.849 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -26.652 28.313 -12.344 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -25.769 29.535 -12.475 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -29.193 15.842 -13.552 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -28.495 15.916 -12.902 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -29.574 14.978 -13.397 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -30.673 18.208 -12.435 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -30.554 18.782 -11.678 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -30.018 17.520 -12.320 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -24.469 16.115 -11.600 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -25.385 16.378 -11.688 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -24.133 16.112 -12.497 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -24.780 29.122 -15.882 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -24.936 29.800 -16.539 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -23.848 29.194 -15.679 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -27.892 27.092 -9.305 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -28.243 26.236 -9.062 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -27.166 27.235 -8.698 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -32.504 23.573 -9.267 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -32.832 23.844 -10.125 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -32.352 22.632 -9.355 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -32.046 20.976 -13.091 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -31.295 20.820 -13.664 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -32.385 21.828 -13.367 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -31.558 17.315 -9.336 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -31.794 17.095 -8.434 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -32.341 17.108 -9.845 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -28.842 16.442 -10.260 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -29.790 16.474 -10.128 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -28.530 15.817 -9.606 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -27.208 15.076 -8.255 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -27.305 14.124 -8.261 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -27.530 15.345 -7.394 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -32.700 30.853 -24.998 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -31.767 31.011 -24.854 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -32.964 31.528 -25.623 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -40.483 30.882 -20.438 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -41.130 30.420 -20.971 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -40.128 30.210 -19.855 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -22.064 29.772 -15.653 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -22.086 29.957 -14.714 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -21.374 30.341 -15.994 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -22.596 24.224 -15.807 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -21.762 23.846 -16.088 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -22.484 25.167 -15.926 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -24.109 27.102 -13.500 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -24.757 27.427 -12.875 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -24.627 26.662 -14.175 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -24.217 18.861 -13.518 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -25.060 19.129 -13.152 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -23.774 19.683 -13.729 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -21.934 12.841 -8.164 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -21.584 12.187 -8.770 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -21.787 13.678 -8.604 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -22.414 14.950 -9.815 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -23.331 15.221 -9.851 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -22.291 14.415 -10.599 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -25.326 29.862 -20.081 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -24.673 29.515 -20.689 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -24.815 30.351 -19.435 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -30.676 29.165 -10.320 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -30.491 28.831 -9.442 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -29.829 29.474 -10.642 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -28.331 30.450 -11.076 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -27.654 29.818 -11.316 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -28.009 30.852 -10.268 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -25.475 30.958 -13.786 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -25.657 31.874 -13.997 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -25.299 30.548 -14.633 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -30.055 30.079 -24.753 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -29.189 30.445 -24.931 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -30.302 29.639 -25.566 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -23.346 29.642 -22.073 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -23.540 28.894 -22.638 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -23.385 30.400 -22.657 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -37.101 29.789 -26.125 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -37.369 30.076 -25.252 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -36.330 29.243 -25.973 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -24.128 28.393 -9.923 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -24.910 28.207 -10.443 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -24.200 29.322 -9.706 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -29.645 21.534 2.382 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -29.683 20.888 3.087 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -29.968 21.068 1.611 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -31.256 23.967 2.788 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -30.952 23.281 2.194 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -30.534 24.085 3.406 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -28.115 18.361 3.116 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -27.972 17.414 3.136 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -28.221 18.568 2.187 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -34.960 16.462 0.388 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -34.917 17.322 -0.030 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -35.418 15.910 -0.245 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -33.184 20.409 0.366 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -32.568 19.883 0.875 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -33.770 19.769 -0.038 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -33.581 23.056 4.750 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -34.321 23.654 4.853 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -32.867 23.610 4.434 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -35.173 25.020 5.537 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -35.179 25.899 5.159 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -36.027 24.937 5.962 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -25.127 14.599 4.449 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -25.863 15.210 4.411 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -24.443 15.014 3.923 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -32.124 12.686 1.915 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -32.241 11.737 1.861 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -32.979 13.018 2.188 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -34.806 22.363 -0.750 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -35.136 21.993 -1.569 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -34.218 21.693 -0.404 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -33.439 25.791 1.931 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -33.534 25.213 1.174 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -32.710 25.420 2.427 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -34.439 21.132 2.883 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -33.874 21.253 2.120 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -34.120 21.769 3.522 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -33.559 25.531 7.600 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -33.871 26.313 8.056 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -34.209 25.378 6.914 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -29.854 27.632 -1.513 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -29.380 27.927 -0.735 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -30.417 28.370 -1.746 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -23.882 12.645 -5.135 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -24.781 12.784 -4.840 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -23.630 13.476 -5.537 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -35.816 21.433 -3.161 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -36.108 22.201 -3.652 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -36.490 20.773 -3.324 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -30.382 30.588 -3.098 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -30.457 30.467 -4.044 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -30.349 31.538 -2.979 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -27.280 29.742 -6.095 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -26.905 28.998 -6.566 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -27.276 29.472 -5.177 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -26.866 17.067 6.921 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -27.380 16.941 7.718 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -27.021 17.979 6.676 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -30.530 15.804 -6.648 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -30.784 15.823 -5.725 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -30.787 14.932 -6.949 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -34.764 18.555 3.788 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -35.406 18.514 4.497 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -34.727 19.481 3.550 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -34.767 18.776 -1.300 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -35.660 18.435 -1.359 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -34.316 18.399 -2.056 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -30.129 19.367 9.005 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -30.692 18.663 9.325 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -29.303 19.247 9.472 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -33.648 16.249 -7.547 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -34.079 15.804 -6.817 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -34.366 16.621 -8.059 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -28.963 20.276 5.002 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -28.639 19.645 4.359 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -29.403 19.741 5.663 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -32.185 16.203 -0.214 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -33.096 16.260 0.075 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -31.680 16.143 0.597 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -33.704 17.832 -3.731 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -32.772 17.961 -3.553 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -33.919 18.502 -4.380 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -27.780 15.438 3.050 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -28.457 15.569 3.714 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -28.266 15.283 2.240 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -35.030 19.027 -6.164 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -35.572 18.647 -6.855 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -34.196 19.221 -6.593 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -24.493 31.110 9.327 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -24.293 31.534 8.492 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -23.837 31.453 9.934 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -35.863 15.127 -1.909 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -36.180 14.225 -1.944 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -35.082 15.129 -2.461 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -32.239 17.379 4.087 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -33.074 17.833 4.197 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -31.715 17.655 4.839 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -31.695 23.592 -4.228 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -32.439 23.085 -4.551 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -31.829 23.641 -3.282 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -32.545 20.865 9.069 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -32.841 20.699 8.174 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -31.614 20.645 9.059 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -34.195 26.405 -1.054 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -33.668 27.178 -1.255 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -35.075 26.630 -1.356 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -32.768 24.068 -1.478 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -33.009 24.993 -1.436 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -33.508 23.609 -1.082 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -32.253 28.217 4.837 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -31.890 29.072 4.604 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -31.721 27.925 5.578 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -32.415 26.357 -7.941 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -32.176 25.609 -8.489 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -32.684 25.969 -7.109 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -33.478 25.927 -5.485 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -33.331 25.407 -4.695 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -33.481 26.834 -5.179 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -29.193 15.842 5.304 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.495 15.916 5.954 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -29.574 14.978 5.459 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -30.740 27.625 -4.736 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -31.557 28.122 -4.683 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -30.211 28.100 -5.376 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -30.673 18.208 6.421 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -30.554 18.782 7.178 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -30.018 17.520 6.536 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -30.325 14.303 -1.826 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -30.672 14.921 -1.181 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -29.667 14.804 -2.307 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -34.668 15.366 -5.138 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -34.751 16.255 -4.792 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -33.778 15.101 -4.907 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -24.469 16.115 7.256 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -25.385 16.378 7.168 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -24.133 16.112 6.359 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -30.377 28.220 -7.803 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -31.021 27.589 -7.481 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -29.615 27.689 -8.035 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -34.818 23.947 -7.712 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -34.754 23.153 -7.181 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -34.165 23.828 -8.401 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -32.504 23.573 9.589 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -32.832 23.844 8.731 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -32.352 22.632 9.501 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -33.669 21.919 -5.406 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -34.128 21.435 -4.720 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -33.414 21.251 -6.042 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -32.598 20.162 -7.143 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -32.778 20.008 -8.071 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -31.647 20.270 -7.099 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -29.360 22.283 10.228 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -28.407 22.367 10.200 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -29.520 21.572 10.847 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -32.046 20.976 5.765 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -31.295 20.820 5.192 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -32.385 21.828 5.489 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -27.630 18.791 10.793 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -27.438 17.860 10.682 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -26.773 19.216 10.783 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -28.842 16.442 8.596 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -29.790 16.474 8.728 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -28.530 15.817 9.250 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -27.208 15.076 10.601 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -27.305 14.124 10.595 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -27.530 15.345 11.462 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -24.490 15.988 -7.840 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -23.880 15.616 -7.203 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -25.327 15.566 -7.644 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -21.934 12.841 10.692 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -21.584 12.187 10.086 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -21.787 13.678 10.252 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -24.244 14.806 -2.825 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -24.062 14.357 -2.000 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -24.844 14.221 -3.289 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -22.414 14.950 9.041 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -23.331 15.221 9.005 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -22.291 14.415 8.257 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -22.378 14.873 -6.297 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -21.965 14.152 -6.773 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -21.696 15.543 -6.239 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -34.987 27.766 5.577 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -35.412 28.575 5.294 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -34.082 27.851 5.275 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -30.676 29.165 8.536 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -30.491 28.831 9.414 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -29.829 29.474 8.214 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -28.331 30.450 7.780 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -27.654 29.818 7.540 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -28.009 30.852 8.588 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -23.413 13.040 6.860 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -24.226 13.365 6.472 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -23.180 12.280 6.327 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -30.407 30.510 3.830 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -30.864 31.039 3.176 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -30.244 31.113 4.555 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -33.492 28.825 2.038 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -33.279 27.937 1.751 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -33.427 28.791 2.993 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -29.983 14.489 1.183 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -30.658 13.860 1.438 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -29.419 14.005 0.580 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -24.841 12.596 1.295 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -24.237 13.144 0.794 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -25.710 12.916 1.055 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -23.114 13.735 -0.371 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -22.502 13.221 -0.898 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -22.731 14.613 -0.348 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -33.077 13.050 -1.182 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -32.203 13.438 -1.212 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -33.213 12.835 -0.259 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -27.520 13.080 0.467 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -27.444 13.175 -0.482 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -27.796 12.172 0.596 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -26.167 13.106 -3.840 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -26.870 13.720 -4.050 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -26.612 12.268 -3.709 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -31.933 15.130 -4.292 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -31.755 14.484 -3.609 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -31.987 15.964 -3.825 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -30.055 30.079 -5.897 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -29.189 30.445 -6.075 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -30.302 29.639 -6.710 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -22.593 15.568 22.505 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -22.544 16.178 23.241 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -22.167 16.029 21.782 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -25.474 15.884 19.626 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -25.689 15.118 20.158 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -24.818 16.356 20.139 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -26.016 25.995 17.022 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -26.273 25.305 16.410 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -25.945 25.552 17.867 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -29.857 21.523 15.271 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -30.569 22.058 14.920 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -29.166 21.579 14.611 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -29.803 19.981 12.310 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -29.102 20.003 12.961 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -29.501 19.353 11.654 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -26.451 21.733 16.223 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -27.183 21.961 16.796 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -26.004 21.019 16.678 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -27.580 20.895 13.908 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -27.001 21.045 14.655 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -27.166 21.366 13.185 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -23.882 12.645 13.721 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -24.781 12.784 14.016 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -23.630 13.476 13.319 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -27.280 29.742 12.761 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -26.905 28.998 12.290 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -27.276 29.472 13.679 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -27.611 29.668 15.510 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -28.546 29.768 15.689 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -27.331 28.959 16.088 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -27.797 16.406 12.827 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -28.735 16.518 12.676 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -27.500 17.263 13.133 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -27.079 18.273 14.488 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -26.187 18.136 14.807 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -27.022 19.064 13.951 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -29.569 25.051 13.653 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -29.864 25.877 14.035 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -30.272 24.431 13.849 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -23.898 27.269 14.647 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -24.271 26.443 14.957 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -23.621 27.086 13.750 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -22.002 29.725 12.669 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -21.259 30.311 12.529 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -22.697 30.293 13.002 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -25.640 23.918 14.694 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -25.917 23.190 15.250 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -24.713 24.037 14.900 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -32.415 26.357 10.915 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -32.176 25.609 10.367 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -32.684 25.969 11.747 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -30.740 27.625 14.120 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -31.557 28.122 14.173 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -30.211 28.100 13.480 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -30.377 28.220 11.053 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -31.021 27.589 11.375 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -29.615 27.689 10.821 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -29.466 24.994 10.880 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -29.734 25.174 11.781 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -29.672 24.068 10.749 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -22.355 21.439 16.957 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -23.081 20.960 17.355 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -21.774 21.645 17.689 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -23.738 18.580 11.899 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -23.641 19.247 11.219 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -23.878 17.764 11.417 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -24.568 19.960 17.520 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -24.718 19.015 17.500 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -24.922 20.241 18.364 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -24.490 15.988 11.016 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -23.880 15.616 11.653 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -25.327 15.566 11.212 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -24.858 17.543 15.982 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -24.578 16.636 16.107 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -24.099 17.977 15.593 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -24.246 18.124 21.418 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -23.313 18.336 21.384 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -24.481 18.226 22.341 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -24.244 14.806 16.031 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -24.062 14.357 16.856 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -24.844 14.221 15.567 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -22.378 14.873 12.559 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -21.965 14.152 12.083 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -21.696 15.543 12.617 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -23.114 13.735 18.485 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -22.502 13.221 17.958 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -22.731 14.613 18.508 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -30.055 30.079 12.959 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -29.189 30.445 12.781 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -30.302 29.639 12.146 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -23.346 29.642 15.639 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -23.540 28.894 15.074 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -23.385 30.400 15.055 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -37.277 40.005 -33.737 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -37.235 39.379 -33.013 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -36.574 40.628 -33.555 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -39.033 40.277 -37.683 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -38.819 39.507 -37.156 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -38.295 40.366 -38.286 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -38.340 37.715 -36.562 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -37.686 37.165 -36.130 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -38.316 37.441 -37.478 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -36.150 34.236 -33.250 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -36.369 34.766 -34.016 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -36.818 34.463 -32.602 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -33.581 41.912 -32.962 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -34.321 42.510 -32.859 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -32.867 42.466 -33.278 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -36.556 36.128 -35.297 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -35.943 36.761 -34.924 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -36.044 35.656 -35.954 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -35.173 43.876 -32.175 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -35.179 44.755 -32.553 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -36.027 43.793 -31.750 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -34.439 39.988 -34.829 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -33.874 40.109 -35.592 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -34.120 40.625 -34.190 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -33.559 44.387 -30.112 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -33.871 45.169 -29.656 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -34.209 44.234 -30.798 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -35.320 46.459 -29.348 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -35.312 46.323 -30.296 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -36.236 46.341 -29.096 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -39.723 42.652 -32.058 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -40.224 42.624 -32.873 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -39.717 41.746 -31.748 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -39.972 45.432 -35.174 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -39.026 45.288 -35.193 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -40.085 46.216 -34.637 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -21.775 46.098 -29.492 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -21.824 45.143 -29.529 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -22.601 46.366 -29.090 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -30.796 45.672 -30.616 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -30.709 46.498 -30.141 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -31.660 45.342 -30.367 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -24.623 37.591 -29.012 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -25.030 38.072 -29.732 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -24.582 36.686 -29.319 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -37.474 43.975 -31.015 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -37.257 43.614 -30.155 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -38.329 43.601 -31.225 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -34.764 37.411 -33.924 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -35.406 37.370 -33.215 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -34.727 38.337 -34.162 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -30.129 38.223 -28.707 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -30.692 37.519 -28.387 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -29.303 38.103 -28.240 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -24.493 49.966 -28.385 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -24.293 50.390 -29.220 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -23.837 50.309 -27.778 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -32.239 36.235 -33.625 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -33.074 36.689 -33.515 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -31.715 36.511 -32.873 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -30.175 42.632 -30.703 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -30.521 42.251 -29.897 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -30.375 43.566 -30.632 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -32.545 39.721 -28.643 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -32.841 39.555 -29.538 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -31.614 39.501 -28.653 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -27.925 45.094 -30.753 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -28.826 45.277 -31.021 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -27.891 45.353 -29.832 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -26.050 47.724 -30.705 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -26.652 47.169 -31.200 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -25.769 48.391 -31.331 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -37.928 34.957 -31.298 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -38.821 35.296 -31.365 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -38.027 34.102 -30.880 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -30.673 37.064 -31.291 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -30.554 37.638 -30.534 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -30.018 36.376 -31.176 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -34.469 47.568 -26.890 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -33.701 47.109 -26.549 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -34.490 47.342 -27.820 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -27.892 45.948 -28.161 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -28.243 45.092 -27.918 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -27.166 46.091 -27.554 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -26.769 42.345 -30.740 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -26.024 42.933 -30.860 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -27.526 42.927 -30.677 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -33.628 34.393 -32.187 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -33.092 34.844 -32.839 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -34.480 34.285 -32.609 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -32.046 39.832 -31.947 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -31.295 39.676 -32.520 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -32.385 40.684 -32.223 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -27.630 37.647 -26.919 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -27.438 36.716 -27.030 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -26.773 38.072 -26.929 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -26.314 40.436 -28.841 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -26.595 41.145 -29.419 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -25.371 40.363 -28.992 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -32.822 31.849 -31.755 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -32.920 32.796 -31.861 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -33.565 31.477 -32.231 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -31.558 36.171 -28.192 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -31.794 35.951 -27.290 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -32.341 35.964 -28.701 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -28.842 35.298 -29.116 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -29.790 35.330 -28.984 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -28.530 34.673 -28.462 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -27.208 33.932 -27.111 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -27.305 32.980 -27.117 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -27.530 34.201 -26.250 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -32.600 31.143 -29.084 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -31.888 30.503 -29.098 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -32.701 31.410 -29.998 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -32.247 32.826 -27.030 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -32.378 32.350 -27.851 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -32.846 33.570 -27.086 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -24.050 43.985 -26.949 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -24.916 43.880 -26.555 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -23.674 44.744 -26.502 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -39.533 40.894 -35.038 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -39.349 40.812 -35.973 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -38.684 40.770 -34.614 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -38.714 34.477 -36.006 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -38.269 33.685 -35.704 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -38.248 35.193 -35.575 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -40.410 37.476 -34.937 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -39.918 37.255 -35.727 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -40.048 38.317 -34.656 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -40.133 32.472 -32.538 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -40.798 32.226 -31.895 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -40.576 33.094 -33.115 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -37.941 45.647 -28.394 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -38.762 45.822 -28.854 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -38.193 45.574 -27.473 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -30.676 48.021 -29.176 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -30.491 47.687 -28.298 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -29.829 48.330 -29.498 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -37.699 32.493 -29.190 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -38.065 31.728 -28.747 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -36.786 32.522 -28.903 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -35.726 31.844 -27.654 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -34.827 31.570 -27.839 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -36.112 31.101 -27.190 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -27.304 31.176 -27.472 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -27.228 30.750 -26.618 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -26.411 31.190 -27.814 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -24.128 47.249 -28.779 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -24.910 47.063 -29.299 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -24.200 48.178 -28.562 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -37.277 40.005 -14.881 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -37.235 39.379 -14.157 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -36.574 40.628 -14.699 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -36.353 44.455 -16.346 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -36.723 43.653 -16.715 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -35.412 44.286 -16.299 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -36.150 34.236 -14.394 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -36.369 34.766 -15.160 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -36.818 34.463 -13.746 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -36.556 36.128 -16.441 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -35.943 36.761 -16.068 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -36.044 35.656 -17.098 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -35.173 43.876 -13.319 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -35.179 44.755 -13.697 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -36.027 43.793 -12.894 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -39.052 43.547 -22.537 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -39.324 43.776 -23.426 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -39.007 44.385 -22.077 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -25.127 33.455 -14.407 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -25.863 34.066 -14.445 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -24.443 33.870 -14.933 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -32.124 31.542 -16.941 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -32.241 30.593 -16.995 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -32.979 31.874 -16.668 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -33.439 44.647 -16.925 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -33.534 44.069 -17.682 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -32.710 44.276 -16.429 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -34.439 39.988 -15.973 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -33.874 40.109 -16.736 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -34.120 40.625 -15.334 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -33.559 44.387 -11.256 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -33.871 45.169 -10.800 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -34.209 44.234 -11.942 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -36.639 40.585 -12.027 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -36.569 41.236 -11.329 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -37.530 40.688 -12.362 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -35.320 46.459 -10.492 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -35.312 46.323 -11.440 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -36.236 46.341 -10.240 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -23.882 31.501 -23.991 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -24.781 31.640 -23.696 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -23.630 32.332 -24.393 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -30.796 45.672 -11.760 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -30.709 46.498 -11.285 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -31.660 45.342 -11.511 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -30.382 49.444 -21.954 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -30.457 49.323 -22.900 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -30.349 50.394 -21.835 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -36.728 48.233 -20.173 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -36.576 47.885 -19.294 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -37.579 47.877 -20.428 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -34.855 32.445 -16.163 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -35.716 32.358 -16.571 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -34.877 33.301 -15.736 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -30.192 32.167 -12.789 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -29.772 31.752 -12.036 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -31.125 31.989 -12.672 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -26.866 35.923 -11.935 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -27.380 35.797 -11.138 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -27.021 36.835 -12.180 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -26.103 40.784 -26.174 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -26.061 40.561 -27.104 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -25.254 41.182 -25.984 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -30.530 34.660 -25.504 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -30.784 34.679 -24.581 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -30.787 33.788 -25.805 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -34.764 37.411 -15.068 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -35.406 37.370 -14.359 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -34.727 38.337 -15.306 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -37.014 37.731 -13.201 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -37.052 38.131 -12.333 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -37.505 36.914 -13.111 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -33.648 35.105 -26.403 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -34.079 34.660 -25.673 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -34.366 35.477 -26.915 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -40.406 34.847 -19.351 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -39.775 34.818 -18.631 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -39.956 34.422 -20.081 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -32.185 35.059 -19.070 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -33.096 35.116 -18.781 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -31.680 34.999 -18.259 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -27.780 34.294 -15.806 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -28.457 34.425 -15.142 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -28.266 34.139 -16.616 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -36.895 42.440 -9.921 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -36.162 42.694 -9.360 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -37.675 42.644 -9.406 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -32.239 36.235 -14.769 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -33.074 36.689 -14.659 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -31.715 36.511 -14.017 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -32.545 39.721 -9.787 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -32.841 39.555 -10.682 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -31.614 39.501 -9.797 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -22.194 37.339 -23.530 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -22.748 36.943 -24.202 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -22.093 38.249 -23.807 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -34.195 45.261 -19.910 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -33.668 46.034 -20.111 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -35.075 45.486 -20.212 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -34.084 47.946 -20.789 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -35.034 48.051 -20.737 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -33.733 48.766 -20.444 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -26.506 44.101 -25.244 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -26.153 43.721 -24.440 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -27.455 44.008 -25.158 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -25.640 42.774 -23.018 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -25.917 42.046 -22.462 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -24.713 42.893 -22.812 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -29.193 34.698 -13.552 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -28.495 34.772 -12.902 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -29.574 33.834 -13.397 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -30.325 33.159 -20.682 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -30.672 33.777 -20.037 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -29.667 33.660 -21.163 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -33.402 47.524 -23.610 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -33.241 48.324 -24.111 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -33.599 47.831 -22.725 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -36.409 44.650 -24.934 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -35.817 45.349 -24.658 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -35.950 44.217 -25.653 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -37.285 32.096 -17.145 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -37.514 32.155 -18.072 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -37.728 31.304 -16.838 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -38.355 46.036 -20.984 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -39.187 46.509 -20.957 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -37.809 46.546 -21.583 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -34.469 47.568 -8.034 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -33.701 47.109 -7.693 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -34.490 47.342 -8.964 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -30.377 47.076 -26.659 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -31.021 46.445 -26.337 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -29.615 46.545 -26.891 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -25.773 46.893 -26.425 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -25.490 46.099 -25.972 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -25.033 47.126 -26.986 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -32.504 42.429 -9.267 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -32.832 42.700 -10.125 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -32.352 41.488 -9.355 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -34.380 38.668 -11.906 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -34.998 39.343 -11.625 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -34.036 38.989 -12.739 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -23.208 41.373 -26.554 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -23.481 40.948 -27.367 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -23.168 42.304 -26.771 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -34.040 36.023 -10.823 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -33.890 35.294 -11.426 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -34.038 36.800 -11.382 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -33.628 34.393 -13.331 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -33.092 34.844 -13.983 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -34.480 34.285 -13.753 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -35.562 37.221 -8.912 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -36.329 36.689 -9.122 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -34.883 36.911 -9.511 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -31.558 36.171 -9.336 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -31.794 35.951 -8.434 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -32.341 35.964 -9.845 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -28.842 35.298 -10.260 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -29.790 35.330 -10.128 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -28.530 34.673 -9.606 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -27.208 33.932 -8.255 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -27.305 32.980 -8.261 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -27.530 34.201 -7.394 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -32.700 49.709 -24.998 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -31.767 49.867 -24.854 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -32.964 50.384 -25.623 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -39.132 44.345 -25.515 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -38.218 44.424 -25.242 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -39.125 43.658 -26.182 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -22.749 42.242 -22.579 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -21.899 42.663 -22.451 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -22.744 41.502 -21.971 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -22.355 40.295 -20.755 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -23.081 39.816 -20.357 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -21.774 40.501 -20.023 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -22.087 40.196 -24.364 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -22.608 40.553 -25.083 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -22.120 40.871 -23.686 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -23.738 37.436 -25.813 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -23.641 38.103 -26.493 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -23.878 36.620 -26.295 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -39.533 40.894 -16.182 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -39.349 40.812 -17.117 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -38.684 40.770 -15.758 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -24.490 34.844 -26.696 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -23.880 34.472 -26.059 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -25.327 34.422 -26.500 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -24.246 36.980 -16.294 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -23.313 37.192 -16.328 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -24.481 37.082 -15.371 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -38.714 34.477 -17.150 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -38.269 33.685 -16.848 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -38.248 35.193 -16.719 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -40.410 37.476 -16.081 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -39.918 37.255 -16.871 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -40.048 38.317 -15.800 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -22.378 33.729 -25.153 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -21.965 33.008 -25.629 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -21.696 34.399 -25.095 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -40.097 33.734 -22.026 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -41.022 33.943 -22.156 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -39.643 34.218 -22.716 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -34.987 46.622 -13.279 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -35.412 47.431 -13.562 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -34.082 46.707 -13.581 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -35.118 49.478 -14.202 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -35.983 49.550 -13.798 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -35.173 50.025 -14.986 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -36.029 47.211 -17.666 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -36.248 46.295 -17.497 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -35.205 47.351 -17.200 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -33.492 47.681 -16.818 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -33.279 46.793 -17.105 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -33.427 47.647 -15.863 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -29.983 33.345 -17.673 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -30.658 32.716 -17.418 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -29.419 32.861 -18.276 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -24.841 31.452 -17.561 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -24.237 32.000 -18.062 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -25.710 31.772 -17.801 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -23.114 32.591 -19.227 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -22.502 32.077 -19.754 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -22.731 33.469 -19.204 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -37.657 31.979 -19.851 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -38.434 31.745 -20.359 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -37.126 31.182 -19.843 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -38.820 31.777 -24.048 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -38.381 32.388 -24.639 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -39.454 32.315 -23.574 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -33.077 31.906 -20.038 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -32.203 32.294 -20.068 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -33.213 31.691 -19.115 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -27.520 31.936 -18.389 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -27.444 32.031 -19.338 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -27.796 31.028 -18.260 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -31.933 33.986 -23.148 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -31.755 33.340 -22.465 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -31.987 34.820 -22.681 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -30.055 48.935 -24.753 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -29.189 49.301 -24.931 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -30.302 48.495 -25.566 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -37.101 48.645 -26.125 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -37.369 48.932 -25.252 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -36.330 48.099 -25.973 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -27.304 31.176 -8.616 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -27.228 30.750 -7.762 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -26.411 31.190 -8.958 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -28.578 41.135 -1.037 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -28.489 42.079 -1.169 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -29.217 40.860 -1.695 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -25.939 43.329 0.684 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -26.380 42.609 1.134 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -25.952 44.050 1.314 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -28.115 37.217 3.116 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -27.972 36.270 3.136 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -28.221 37.424 2.187 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -27.238 35.449 -1.211 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -26.592 35.120 -0.586 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -26.728 35.967 -1.834 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -28.781 43.736 -1.994 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -29.077 43.414 -2.845 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -29.105 44.636 -1.952 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -25.474 34.740 0.770 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -25.689 33.974 1.302 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -24.818 35.212 1.283 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -32.124 31.542 1.915 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -32.241 30.593 1.861 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -32.979 31.874 2.188 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -27.175 46.950 -0.343 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -26.750 46.243 -0.828 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -26.858 47.751 -0.760 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -26.016 44.851 -1.834 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -26.273 44.161 -2.446 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -25.945 44.408 -0.989 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -24.330 43.417 6.643 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -24.190 42.826 5.904 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -24.162 44.290 6.287 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -29.857 40.379 -3.585 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -30.569 40.914 -3.936 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -29.166 40.435 -4.245 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -29.803 38.837 -6.546 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -29.102 38.859 -5.895 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -29.501 38.209 -7.202 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -26.451 40.589 -2.633 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -27.183 40.817 -2.060 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -26.004 39.875 -2.178 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -26.554 38.763 6.435 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -26.474 39.526 7.007 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -27.155 39.042 5.744 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -29.854 46.488 -1.513 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -29.380 46.783 -0.735 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -30.417 47.226 -1.746 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -27.280 48.598 -6.095 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -26.905 47.854 -6.566 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -27.276 48.328 -5.177 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -27.611 48.524 -3.346 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -28.546 48.624 -3.167 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -27.331 47.815 -2.768 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -24.623 37.591 8.700 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -25.030 38.072 7.980 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -24.582 36.686 8.393 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -30.192 32.167 6.067 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -29.772 31.752 6.820 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -31.125 31.989 6.184 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -26.866 35.923 6.921 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -27.380 35.797 7.718 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -27.021 36.835 6.676 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -30.530 34.660 -6.648 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -30.784 34.679 -5.725 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -30.787 33.788 -6.949 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -29.231 38.048 -2.483 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -29.640 38.863 -2.775 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -28.511 37.908 -3.098 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -28.227 37.494 0.331 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -28.422 38.099 -0.384 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -28.045 36.660 -0.104 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -27.780 34.294 3.050 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -28.457 34.425 3.714 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -28.266 34.139 2.240 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -31.695 42.448 -4.228 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -32.439 41.941 -4.551 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -31.829 42.497 -3.282 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -24.545 41.581 4.558 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -23.903 42.038 4.015 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -25.375 41.694 4.096 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -27.797 35.262 -6.029 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -28.735 35.374 -6.180 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -27.500 36.119 -5.723 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -27.079 37.129 -4.368 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -26.187 36.992 -4.049 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -27.022 37.920 -4.905 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -22.230 43.139 8.163 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -23.082 43.377 7.796 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -21.640 43.122 7.410 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -23.898 46.125 -4.209 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -24.271 45.299 -3.899 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -23.621 45.942 -5.106 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -22.002 48.581 -6.187 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -21.259 49.167 -6.327 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -22.697 49.149 -5.854 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -32.415 45.213 -7.941 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -32.176 44.465 -8.489 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -32.684 44.825 -7.109 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -33.478 44.783 -5.485 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -33.331 44.263 -4.695 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -33.481 45.690 -5.179 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -29.193 34.698 5.304 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -28.495 34.772 5.954 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -29.574 33.834 5.459 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -28.409 34.350 -3.599 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -28.189 34.822 -4.402 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -27.851 34.745 -2.928 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -30.740 46.481 -4.736 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -31.557 46.978 -4.683 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -30.211 46.956 -5.376 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -31.209 36.078 -2.764 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -30.397 36.582 -2.718 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -31.454 35.933 -1.850 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -30.325 33.159 -1.826 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -30.672 33.777 -1.181 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -29.667 33.660 -2.307 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -33.402 47.524 -4.754 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -33.241 48.324 -5.255 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -33.599 47.831 -3.869 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -24.469 34.971 7.256 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -25.385 35.234 7.168 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -24.133 34.968 6.359 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -25.867 38.722 1.352 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -26.664 38.307 1.023 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -25.422 38.031 1.843 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -30.377 47.076 -7.803 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -31.021 46.445 -7.481 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -29.615 46.545 -8.035 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -34.818 42.803 -7.712 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -34.754 42.009 -7.181 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -34.165 42.684 -8.401 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -33.669 40.775 -5.406 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -34.128 40.291 -4.720 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -33.414 40.107 -6.042 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -32.598 39.018 -7.143 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -32.778 38.864 -8.071 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -31.647 39.126 -7.099 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -32.822 31.849 5.957 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -32.920 32.796 5.851 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -33.565 31.477 5.481 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -32.600 31.143 8.628 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -31.888 30.503 8.614 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -32.701 31.410 7.714 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -32.700 49.709 -6.142 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -31.767 49.867 -5.998 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -32.964 50.384 -6.767 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -22.596 43.080 3.049 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -21.762 42.702 2.768 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -22.484 44.023 2.930 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -24.568 38.816 -1.336 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -24.718 37.871 -1.356 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -24.922 39.097 -0.492 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -23.712 40.786 8.303 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -23.129 40.052 8.494 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -23.148 41.558 8.349 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -22.215 38.689 8.987 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -23.078 38.310 8.822 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -21.611 37.950 8.913 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -24.246 36.980 2.562 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -23.313 37.192 2.528 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -24.481 37.082 3.485 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -24.217 37.717 5.338 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -25.060 37.985 5.704 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -23.774 38.539 5.127 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -21.934 31.697 10.692 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -21.584 31.043 10.086 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -21.787 32.534 10.252 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -22.414 33.806 9.041 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -23.331 34.077 9.005 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -22.291 33.271 8.257 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -25.326 48.718 -1.225 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -24.673 48.371 -1.833 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -24.815 49.207 -0.579 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -29.983 33.345 1.183 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -30.658 32.716 1.438 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -29.419 32.861 0.580 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -27.520 31.936 0.467 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -27.444 32.031 -0.482 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -27.796 31.028 0.596 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -31.933 33.986 -4.292 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -31.755 33.340 -3.609 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -31.987 34.820 -3.825 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -30.055 48.935 -5.897 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -29.189 49.301 -6.075 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -30.302 48.495 -6.710 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -23.346 48.498 -3.217 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -23.540 47.750 -3.782 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -23.385 49.256 -3.801 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -27.304 31.176 10.240 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -27.228 30.750 11.094 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -26.411 31.190 9.898 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -23.882 31.501 13.721 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -24.781 31.640 14.016 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -23.630 32.332 13.319 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -27.208 52.788 -27.111 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -27.305 51.836 -27.117 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -27.530 53.057 -26.250 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -32.600 49.999 -29.084 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -31.888 49.359 -29.098 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -32.701 50.266 -29.998 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -21.934 50.553 -27.020 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -21.584 49.899 -27.626 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -21.787 51.390 -27.460 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -22.414 52.662 -28.671 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -23.331 52.933 -28.707 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -22.291 52.127 -29.455 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -27.304 50.032 -27.472 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -27.228 49.606 -26.618 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -26.411 50.046 -27.814 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -22.593 53.280 -15.207 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -22.544 53.890 -14.471 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -22.167 53.741 -15.930 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -28.115 56.073 -15.740 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -27.972 55.126 -15.720 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -28.221 56.280 -16.669 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -27.238 54.305 -20.067 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -26.592 53.976 -19.442 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -26.728 54.823 -20.690 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -22.201 54.758 -12.971 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -22.890 55.416 -13.066 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -22.186 54.561 -12.034 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -36.150 53.092 -14.394 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -36.369 53.622 -15.160 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -36.818 53.319 -13.746 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -25.474 53.596 -18.086 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -25.689 52.830 -17.554 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -24.818 54.068 -17.573 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -32.124 50.398 -16.941 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -32.241 49.449 -16.995 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -32.979 50.730 -16.668 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -26.554 57.619 -12.421 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -26.474 58.382 -11.849 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -27.155 57.898 -13.112 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -24.623 56.447 -10.156 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -25.030 56.928 -10.876 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -24.582 55.542 -10.463 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -34.855 51.301 -16.163 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -35.716 51.214 -16.571 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -34.877 52.157 -15.736 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -30.129 57.079 -9.851 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -30.692 56.375 -9.531 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -29.303 56.959 -9.384 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -28.227 56.350 -18.525 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -28.422 56.955 -19.240 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -28.045 55.516 -18.960 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -28.963 57.988 -13.854 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -28.639 57.357 -14.497 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -29.403 57.453 -13.193 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -32.185 53.915 -19.070 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -33.096 53.972 -18.781 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -31.680 53.855 -18.259 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -30.865 56.703 -17.183 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -30.301 56.156 -17.730 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -31.013 56.181 -16.394 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -32.239 55.091 -14.769 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -33.074 55.545 -14.659 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -31.715 55.367 -14.017 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -27.797 54.118 -24.885 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -28.735 54.230 -25.036 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -27.500 54.975 -24.579 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -22.194 56.195 -23.530 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -22.748 55.799 -24.202 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -22.093 57.105 -23.807 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -28.409 53.206 -22.455 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -28.189 53.678 -23.258 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -27.851 53.601 -21.784 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -30.673 55.920 -12.435 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -30.554 56.494 -11.678 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -30.018 55.232 -12.320 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -30.325 52.015 -20.682 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -30.672 52.633 -20.037 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -29.667 52.516 -21.163 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -24.469 53.827 -11.600 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -25.385 54.090 -11.688 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -24.133 53.824 -12.497 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -25.867 57.578 -17.504 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -26.664 57.163 -17.833 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -25.422 56.887 -17.013 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -34.040 54.879 -10.823 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -33.890 54.150 -11.426 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -34.038 55.656 -11.382 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -33.628 53.249 -13.331 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -33.092 53.700 -13.983 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -34.480 53.141 -13.753 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -27.630 56.503 -8.063 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -27.438 55.572 -8.174 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -26.773 56.928 -8.073 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -31.558 55.027 -9.336 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -31.794 54.807 -8.434 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -32.341 54.820 -9.845 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -28.842 54.154 -10.260 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -29.790 54.186 -10.128 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -28.530 53.529 -9.606 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -27.208 52.788 -8.255 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -27.305 51.836 -8.261 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -27.530 53.057 -7.394 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -32.600 49.999 -10.228 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -31.888 49.359 -10.242 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -32.701 50.266 -11.142 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -32.247 51.682 -8.174 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -32.378 51.206 -8.995 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -32.846 52.426 -8.230 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -24.490 53.700 -26.696 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -23.880 53.328 -26.059 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -25.327 53.278 -26.500 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -24.858 55.255 -21.730 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -24.578 54.348 -21.605 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -24.099 55.689 -22.119 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -24.246 55.836 -16.294 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -23.313 56.048 -16.328 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -24.481 55.938 -15.371 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -24.217 56.573 -13.518 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -25.060 56.841 -13.152 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -23.774 57.395 -13.729 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -21.934 50.553 -8.164 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -21.584 49.899 -8.770 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -21.787 51.390 -8.604 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -24.244 52.518 -21.681 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -24.062 52.069 -20.856 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -24.844 51.933 -22.145 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -22.414 52.662 -9.815 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -23.331 52.933 -9.851 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -22.291 52.127 -10.599 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -22.378 52.585 -25.153 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -21.965 51.864 -25.629 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -21.696 53.255 -25.095 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -23.413 50.752 -11.996 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -24.226 51.077 -12.384 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -23.180 49.992 -12.529 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -29.983 52.201 -17.673 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -30.658 51.572 -17.418 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -29.419 51.717 -18.276 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -23.114 51.447 -19.227 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -22.502 50.933 -19.754 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -22.731 52.325 -19.204 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -33.077 50.762 -20.038 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -32.203 51.150 -20.068 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -33.213 50.547 -19.115 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -27.304 50.032 -8.616 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -27.228 49.606 -7.762 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -26.411 50.046 -8.958 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -23.882 50.357 -5.135 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -24.781 50.496 -4.840 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -23.630 51.188 -5.537 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -30.530 53.516 -6.648 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -30.784 53.535 -5.725 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -30.787 52.644 -6.949 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -27.797 54.118 -6.029 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -28.735 54.230 -6.180 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -27.500 54.975 -5.723 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -24.490 53.700 -7.840 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -23.880 53.328 -7.203 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -25.327 53.278 -7.644 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -22.378 52.585 -6.297 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -21.965 51.864 -6.773 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -21.696 53.255 -6.239 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -26.167 50.818 -3.840 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -26.870 51.432 -4.050 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -26.612 49.980 -3.709 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -18.421 -16.563 3.975 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -18.379 -17.189 4.699 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -17.718 -15.940 4.157 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -17.497 -12.113 2.510 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -17.867 -12.915 2.141 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -16.556 -12.282 2.557 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -14.725 -14.656 4.750 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -15.465 -14.058 4.853 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -14.011 -14.102 4.434 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -16.317 -12.692 5.537 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -16.323 -11.813 5.159 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -17.171 -12.775 5.962 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -14.583 -11.921 1.931 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -14.678 -12.499 1.174 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -13.854 -12.292 2.427 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -15.583 -16.580 2.883 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -15.018 -16.459 2.120 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -15.264 -15.943 3.522 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -14.703 -12.181 7.600 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -15.015 -11.399 8.056 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -15.353 -12.334 6.914 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -21.116 -11.136 2.538 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -20.170 -11.280 2.519 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -21.229 -10.352 3.075 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -11.940 -10.896 7.096 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -11.853 -10.070 7.571 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -12.804 -11.226 7.345 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -15.908 -19.157 3.788 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -16.550 -19.198 4.497 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -15.871 -18.231 3.550 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -18.158 -18.837 5.655 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -18.196 -18.437 6.523 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -18.649 -19.654 5.745 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -5.637 -6.602 9.327 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -5.437 -6.178 8.492 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -4.981 -6.259 9.934 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -11.319 -13.936 7.009 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -11.665 -14.317 7.815 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -11.519 -13.002 7.080 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -17.714 -14.825 1.541 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -16.969 -14.827 0.940 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -17.636 -15.649 2.023 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -13.689 -16.847 9.069 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -13.985 -17.013 8.174 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -12.758 -17.067 9.059 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -9.069 -11.474 6.959 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -9.970 -11.291 6.691 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -9.035 -11.215 7.880 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -13.397 -9.495 4.837 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -13.034 -8.640 4.604 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -12.865 -9.787 5.578 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -7.194 -8.844 7.007 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -7.796 -9.399 6.512 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -6.913 -8.177 6.381 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -19.072 -21.611 6.414 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -19.965 -21.272 6.347 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -19.171 -22.466 6.832 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -19.421 -9.806 4.849 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -19.204 -10.738 4.818 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -19.174 -9.532 5.733 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -13.648 -14.139 9.589 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -13.976 -13.868 8.731 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -13.496 -15.080 9.501 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -7.913 -14.223 6.972 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -7.168 -13.635 6.852 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -8.670 -13.641 7.035 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -15.524 -17.900 6.950 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -16.142 -17.225 7.231 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -15.180 -17.579 6.117 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -10.504 -15.429 10.228 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -9.551 -15.345 10.200 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -10.664 -16.140 10.847 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -15.184 -20.545 8.033 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -15.034 -21.274 7.430 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -15.182 -19.768 7.474 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -13.190 -16.736 5.765 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -12.439 -16.892 5.192 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -13.529 -15.884 5.489 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -16.706 -19.347 9.944 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -17.473 -19.879 9.734 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -16.027 -19.657 9.345 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -18.525 -21.426 9.649 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -18.314 -22.133 9.038 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -18.637 -21.864 10.493 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -5.194 -12.583 10.763 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -6.060 -12.688 11.157 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -4.818 -11.824 11.210 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -20.677 -15.674 2.674 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -20.493 -15.756 1.739 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -19.828 -15.798 3.098 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -21.079 -20.403 8.815 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -20.160 -20.525 9.051 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -21.529 -21.153 9.204 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -21.554 -19.092 2.775 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -21.062 -19.313 1.985 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -21.192 -18.251 3.056 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -16.131 -9.946 5.577 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -16.556 -9.137 5.294 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -15.226 -9.861 5.275 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -18.729 -6.690 5.624 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -19.449 -6.250 5.173 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -19.095 -6.941 6.473 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -16.262 -7.090 4.654 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -17.127 -7.018 5.058 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -16.317 -6.543 3.870 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -11.551 -7.202 3.830 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -12.008 -6.673 3.176 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -11.388 -6.599 4.555 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -9.224 -8.324 4.775 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -10.128 -8.159 4.509 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -8.795 -7.471 4.709 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -6.619 -6.754 5.070 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -6.801 -5.838 4.859 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -6.443 -7.164 4.223 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -14.636 -8.887 2.038 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -14.423 -9.775 1.751 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -14.571 -8.921 2.993 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -5.272 -9.319 8.933 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -6.054 -9.505 8.413 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -5.344 -8.390 9.150 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -9.722 -15.433 17.819 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -9.633 -14.489 17.687 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -10.361 -15.708 17.161 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -10.789 -16.178 21.238 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -10.827 -16.824 21.943 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -11.112 -16.644 20.467 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -7.083 -13.239 19.540 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -7.524 -13.959 19.990 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -7.096 -12.518 20.170 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -17.497 -12.113 21.366 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -17.867 -12.915 20.997 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -16.556 -12.282 21.413 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -20.887 -18.453 16.759 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -21.335 -17.607 16.741 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -21.448 -19.033 16.244 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -12.400 -13.745 21.644 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -12.096 -14.431 21.050 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -11.678 -13.627 22.262 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -20.196 -13.021 15.175 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -20.468 -12.792 14.286 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -20.151 -12.183 15.635 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -6.571 -11.399 21.888 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -7.513 -11.341 22.049 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -6.295 -10.493 21.751 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -11.001 -16.189 15.271 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -11.713 -15.654 14.920 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -10.310 -16.133 14.611 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -10.947 -17.731 12.310 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -10.246 -17.709 12.961 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -10.645 -18.359 11.654 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -7.595 -15.979 16.223 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -8.327 -15.751 16.796 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -7.148 -16.693 16.678 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -15.950 -15.349 18.106 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -16.280 -15.719 17.287 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -15.362 -16.019 18.452 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -14.583 -11.921 20.787 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -14.678 -12.499 20.030 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -13.854 -12.292 21.283 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -9.274 -11.077 22.473 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -9.515 -10.415 23.121 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -9.472 -11.911 22.898 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -8.724 -16.817 13.908 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -8.145 -16.667 14.655 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -8.310 -16.346 13.185 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -16.960 -16.279 15.695 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -17.252 -15.511 15.204 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -17.634 -16.939 15.532 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -3.836 -10.701 12.098 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -3.763 -9.762 12.268 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -2.931 -11.006 12.041 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -21.116 -11.136 21.394 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -20.170 -11.280 21.375 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -21.229 -10.352 21.931 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -7.247 -15.784 11.538 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -7.205 -16.007 10.608 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -6.398 -15.386 11.728 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -20.275 -20.975 13.785 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -19.801 -20.384 13.200 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -20.993 -20.444 14.132 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -16.174 -18.685 12.692 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -16.716 -19.065 12.001 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -15.340 -18.491 12.263 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -12.839 -14.120 14.628 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -13.583 -14.627 14.305 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -12.973 -14.071 15.574 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -5.689 -14.987 23.414 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -5.047 -14.530 22.871 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -6.519 -14.874 22.952 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -7.882 -15.635 21.669 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -8.810 -15.867 21.642 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -7.431 -16.412 21.339 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -15.339 -11.307 17.802 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -14.812 -10.534 17.601 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -16.219 -11.082 17.500 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -13.912 -13.644 17.378 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -14.153 -12.719 17.420 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -14.652 -14.103 17.774 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -9.853 -13.396 23.394 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -10.279 -13.623 24.220 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -9.272 -14.134 23.211 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -7.650 -12.467 12.468 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -7.297 -12.847 13.272 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -8.599 -12.560 12.554 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -7.194 -8.844 25.863 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -7.796 -9.399 25.368 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -6.913 -8.177 25.237 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -6.784 -13.794 14.694 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -7.061 -14.522 15.250 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -5.857 -13.675 14.900 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -19.237 -19.254 11.894 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -19.282 -18.315 12.073 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -20.125 -19.490 11.624 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -5.924 -8.590 21.830 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -6.080 -7.912 21.173 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -4.992 -8.518 22.033 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -6.917 -9.675 11.287 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -6.634 -10.469 11.740 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -6.177 -9.442 10.726 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -10.610 -12.718 10.880 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -10.878 -12.538 11.781 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -10.816 -13.644 10.749 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -14.813 -15.793 13.450 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -15.272 -16.277 14.136 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -14.558 -16.461 12.814 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -13.742 -17.550 11.713 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -13.922 -17.704 10.785 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -12.791 -17.442 11.757 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -20.757 -8.749 19.079 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -21.091 -9.630 19.251 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -20.535 -8.404 19.943 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -3.208 -7.940 22.059 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -3.230 -7.755 22.998 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -2.518 -7.371 21.718 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -3.893 -14.326 15.133 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -3.043 -13.905 15.261 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -3.888 -15.066 15.741 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -3.499 -16.273 16.957 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -4.225 -16.752 17.355 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -2.918 -16.067 17.689 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -3.740 -13.488 21.905 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -2.906 -13.866 21.624 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -3.628 -12.545 21.786 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -5.253 -10.610 24.212 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -5.901 -10.285 24.837 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -5.771 -11.050 23.537 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -11.551 -7.202 22.686 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -12.008 -6.673 22.032 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -11.388 -6.599 23.411 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -9.224 -8.324 23.631 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -10.128 -8.159 23.365 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -8.795 -7.471 23.565 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -6.619 -6.754 23.926 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -6.801 -5.838 23.715 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -6.443 -7.164 23.079 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -19.314 -8.067 21.391 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -19.333 -8.492 22.248 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -18.509 -8.385 20.982 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -17.173 -9.357 20.046 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -17.392 -10.273 20.215 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -16.349 -9.217 20.512 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -14.636 -8.887 20.894 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -14.423 -9.775 20.607 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -14.571 -8.921 21.849 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -5.637 12.254 -9.529 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -5.437 12.678 -10.364 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -4.981 12.597 -8.922 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -9.972 10.722 0.896 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -9.352 10.045 0.623 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -10.180 10.504 1.804 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -3.345 -1.810 5.885 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -4.034 -1.152 5.790 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -3.330 -2.007 6.822 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -17.294 -3.476 4.462 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -17.513 -2.946 3.696 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -17.962 -3.249 5.110 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -16.317 6.164 5.537 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -16.323 7.043 5.159 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -17.171 6.081 5.962 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -6.271 -4.257 4.449 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -7.007 -3.646 4.411 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -5.587 -3.842 3.923 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -13.268 -6.170 1.915 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -13.385 -7.119 1.861 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -14.123 -5.838 2.188 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -5.474 5.705 6.643 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -5.334 5.114 5.904 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -5.306 6.578 6.287 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -7.698 1.051 6.435 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -7.618 1.814 7.007 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -8.299 1.330 5.744 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -14.583 6.935 1.931 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -14.678 6.357 1.174 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -13.854 6.564 2.427 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -9.274 7.779 3.617 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -9.515 8.441 4.265 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -9.472 6.945 4.042 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -14.703 6.675 7.600 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -15.015 7.457 8.056 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -15.353 6.522 6.914 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -16.464 8.747 8.364 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -16.456 8.611 7.416 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -17.380 8.629 8.616 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -2.919 8.386 8.220 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -2.968 7.431 8.183 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -3.745 8.654 8.622 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -11.940 7.960 7.096 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -11.853 8.786 7.571 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -12.804 7.630 7.345 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -11.526 11.732 -3.098 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -11.601 11.611 -4.044 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -11.493 12.682 -2.979 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -17.872 10.521 -1.317 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -17.720 10.173 -0.438 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -18.723 10.165 -1.572 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -8.424 10.886 -6.095 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -8.049 10.142 -6.566 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -8.420 10.616 -5.177 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -8.755 10.812 -3.346 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -9.690 10.912 -3.167 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -8.475 10.103 -2.768 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -5.767 -0.121 8.700 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -6.174 0.360 7.980 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -5.726 -1.026 8.393 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -15.999 -5.267 2.693 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -16.860 -5.354 2.285 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -16.021 -4.411 3.120 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -8.010 -1.789 6.921 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -8.524 -1.915 7.718 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -8.165 -0.877 6.676 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -11.273 0.511 9.005 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -11.836 -0.193 9.325 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -10.447 0.391 9.472 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -10.107 1.420 5.002 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -9.783 0.789 4.359 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -10.547 0.885 5.663 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -8.924 -3.418 3.050 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -9.601 -3.287 3.714 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -9.410 -3.573 2.240 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -13.383 -1.477 4.087 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -14.218 -1.023 4.197 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -12.859 -1.201 4.839 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -11.319 4.920 7.009 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -11.665 4.539 7.815 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -11.519 5.854 7.080 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -13.689 2.009 9.069 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -13.985 1.843 8.174 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -12.758 1.789 9.059 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -9.069 7.382 6.959 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -9.970 7.565 6.691 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -9.035 7.641 7.880 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -3.374 5.427 8.163 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -4.226 5.665 7.796 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -2.784 5.410 7.410 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -15.228 10.234 -1.933 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -16.178 10.339 -1.881 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -14.877 11.054 -1.588 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -7.194 10.012 7.007 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -7.796 9.457 6.512 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -6.913 10.679 6.381 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -3.146 10.869 -6.187 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -2.403 11.455 -6.327 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -3.841 11.437 -5.854 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -19.072 -2.755 6.414 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -19.965 -2.416 6.347 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -19.171 -3.610 6.832 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -19.421 9.050 4.849 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -19.204 8.118 4.818 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -19.174 9.324 5.733 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -10.337 -3.014 5.304 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -9.639 -2.940 5.954 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -10.718 -3.878 5.459 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -11.817 -0.648 6.421 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -11.698 -0.074 7.178 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -11.162 -1.336 6.536 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -5.613 -2.741 7.256 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -6.529 -2.478 7.168 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -5.277 -2.744 6.359 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -5.924 10.266 2.974 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -6.080 10.944 2.317 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -4.992 10.338 3.177 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -20.210 10.937 9.202 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -19.670 10.720 9.961 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -20.691 10.131 9.012 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -15.613 9.856 10.822 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -14.845 9.397 11.163 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -15.634 9.630 9.892 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -9.036 8.236 9.551 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -9.387 7.380 9.794 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -8.310 8.379 10.158 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -13.648 4.717 9.589 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -13.976 4.988 8.731 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -13.496 3.776 9.501 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -7.913 4.633 6.972 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -7.168 5.221 6.852 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -8.670 5.215 7.035 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -15.524 0.956 6.950 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -16.142 1.631 7.231 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -15.180 1.277 6.117 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -15.184 -1.689 8.033 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -15.034 -2.418 7.430 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -15.182 -0.912 7.474 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -14.772 -3.319 5.525 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -14.236 -2.868 4.873 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -15.624 -3.427 5.103 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -13.190 2.120 5.765 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -12.439 1.964 5.192 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -13.529 2.972 5.489 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -7.458 2.724 8.871 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -7.739 3.433 8.293 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -6.515 2.651 8.720 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -16.706 -0.491 9.944 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -17.473 -1.023 9.734 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -16.027 -0.801 9.345 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -18.525 -2.570 9.649 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -18.314 -3.277 9.038 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -18.637 -3.008 10.493 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -13.844 11.997 -6.142 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -12.911 12.155 -5.998 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -14.108 12.672 -6.767 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -21.627 12.026 -1.582 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -22.274 11.564 -2.115 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -21.272 11.354 -0.999 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -20.757 10.107 0.223 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -21.091 9.226 0.395 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -20.535 10.452 1.087 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -3.208 10.916 3.203 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -3.230 11.101 4.142 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -2.518 11.485 2.862 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -5.194 6.273 10.763 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -6.060 6.168 11.157 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -4.818 7.032 11.210 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -4.856 3.074 8.303 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -4.273 2.340 8.494 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -4.292 3.846 8.349 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -3.359 0.977 8.987 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -4.222 0.598 8.822 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -2.755 0.238 8.913 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -3.558 -3.906 9.041 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -4.475 -3.635 9.005 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -3.435 -4.441 8.257 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -6.470 11.006 -1.225 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -5.817 10.659 -1.833 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -5.959 11.495 -0.579 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -16.131 8.910 5.577 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -16.556 9.719 5.294 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -15.226 8.995 5.275 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -11.820 10.309 8.536 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -11.635 9.975 9.414 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -10.973 10.618 8.214 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -9.475 11.594 7.780 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -8.798 10.962 7.540 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -9.153 11.996 8.588 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -4.557 -5.816 6.860 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -5.370 -5.491 6.472 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -4.324 -6.576 6.327 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -18.729 12.166 5.624 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -19.449 12.606 5.173 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -19.095 11.915 6.473 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -9.224 10.532 4.775 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -10.128 10.697 4.509 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -8.795 11.385 4.709 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -6.619 12.102 5.070 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -6.801 13.018 4.859 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -6.443 11.692 4.223 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -19.314 10.789 2.535 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -19.333 10.364 3.392 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -18.509 10.471 2.126 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -17.173 9.499 1.190 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -17.392 8.583 1.359 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -16.349 9.639 1.656 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -14.636 9.969 2.038 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -14.423 9.081 1.751 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -14.571 9.935 2.993 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -11.199 11.223 -5.897 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -10.333 11.589 -6.075 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -11.446 10.783 -6.710 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -4.490 10.786 -3.217 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -4.684 10.038 -3.782 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -4.529 11.544 -3.801 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -18.843 -5.219 8.522 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -19.209 -5.984 8.965 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -17.930 -5.190 8.809 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -5.272 9.537 8.933 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -6.054 9.351 8.413 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -5.344 10.466 9.150 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -10.789 2.678 21.238 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -10.827 2.032 21.943 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -11.112 2.212 20.467 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -18.421 2.293 22.831 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -18.379 1.667 23.555 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -17.718 2.916 23.013 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.887 0.403 16.759 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -21.335 1.249 16.741 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -21.448 -0.177 16.244 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -20.177 2.565 18.885 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -19.963 1.795 19.412 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -19.439 2.654 18.282 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -3.737 -3.288 22.505 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -3.688 -2.678 23.241 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -3.311 -2.827 21.782 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -9.259 -0.495 21.972 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -9.116 -1.442 21.992 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -9.365 -0.288 21.043 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -16.104 -2.394 19.244 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -16.061 -1.534 18.826 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -16.562 -2.946 18.611 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -14.328 1.553 19.222 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -13.712 1.027 19.731 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -14.914 0.913 18.818 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -14.725 4.200 23.606 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -15.465 4.798 23.709 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -14.011 4.754 23.290 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -6.618 -2.972 19.626 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -6.833 -3.738 20.158 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -5.962 -2.500 20.139 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -16.317 6.164 24.393 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -16.323 7.043 24.015 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -17.171 6.081 24.818 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -20.196 5.835 15.175 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -20.468 6.064 14.286 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -20.151 6.673 15.635 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -6.271 -4.257 23.305 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -7.007 -3.646 23.267 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -5.587 -3.842 22.779 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -13.268 -6.170 20.771 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -13.385 -7.119 20.717 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -14.123 -5.838 21.044 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -3.632 2.045 23.565 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -4.284 2.740 23.654 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -3.167 2.255 22.755 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -7.698 1.051 25.291 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -7.618 1.814 25.863 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -8.299 1.330 24.600 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -15.950 3.507 18.106 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -16.280 3.137 17.287 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -15.362 2.837 18.452 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -15.583 2.276 21.739 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -15.018 2.397 20.976 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -15.264 2.913 22.378 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -14.703 6.675 26.456 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -15.015 7.457 26.912 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -15.353 6.522 25.770 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -16.464 8.747 27.220 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -16.456 8.611 26.272 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -17.380 8.629 27.472 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -16.960 2.577 15.695 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -17.252 3.345 15.204 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -17.634 1.917 15.532 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -3.836 8.155 12.098 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -3.763 9.094 12.268 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -2.931 7.850 12.041 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -20.867 4.940 24.510 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -21.368 4.912 23.695 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -20.861 4.034 24.820 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -21.116 7.720 21.394 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -20.170 7.576 21.375 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -21.229 8.504 21.931 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -11.940 7.960 25.952 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -11.853 8.786 26.427 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -12.804 7.630 26.201 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -18.618 6.263 25.553 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -18.401 5.902 26.413 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -19.473 5.889 25.343 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -15.999 -5.267 21.549 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -16.860 -5.354 21.141 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -16.021 -4.411 21.976 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -15.908 -0.301 22.644 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -16.550 -0.342 23.353 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -15.871 0.625 22.406 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -15.911 -0.080 17.556 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -16.804 -0.421 17.497 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -15.460 -0.457 16.800 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -14.792 -2.607 11.309 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -15.223 -3.052 12.039 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -15.510 -2.235 10.797 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -21.550 -2.865 18.361 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -20.919 -2.894 19.081 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -21.100 -3.290 17.631 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -20.275 -2.119 13.785 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -19.801 -1.528 13.200 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -20.993 -1.588 14.132 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -10.107 1.420 23.858 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -9.783 0.789 23.215 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -10.547 0.885 24.519 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -18.501 -1.024 17.469 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -19.390 -0.924 17.129 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -18.205 -1.866 17.123 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -14.848 -1.024 15.125 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -13.916 -0.895 15.303 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -15.063 -0.354 14.476 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -8.924 -3.418 21.906 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -9.601 -3.287 22.570 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -9.410 -3.573 21.096 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -16.174 0.171 12.692 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -16.716 -0.209 12.001 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -15.340 0.365 12.263 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -12.009 0.135 20.529 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -11.445 -0.412 19.982 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -12.157 -0.387 21.318 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -17.007 -3.729 16.947 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -17.324 -4.631 16.912 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -16.226 -3.727 16.395 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -13.383 -1.477 22.943 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -14.218 -1.023 23.053 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -12.859 -1.201 23.695 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -12.839 4.736 14.628 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -13.583 4.229 14.305 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -12.973 4.785 15.574 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -11.319 4.920 25.865 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -11.665 4.539 26.671 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -11.519 5.854 25.936 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -17.714 4.031 20.397 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -16.969 4.029 19.796 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -17.636 3.207 20.879 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -3.374 5.427 27.019 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -4.226 5.665 26.652 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -2.784 5.410 26.266 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -7.882 3.221 21.669 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -8.810 2.989 21.642 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -7.431 2.444 21.339 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -13.397 9.361 23.693 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -13.034 10.216 23.460 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -12.865 9.069 24.434 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -3.146 10.869 12.669 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -2.403 11.455 12.529 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -3.841 11.437 13.002 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -19.421 9.050 23.705 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -19.204 8.118 23.674 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -19.174 9.324 24.589 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -13.559 7.501 10.915 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -13.320 6.753 10.367 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -13.828 7.113 11.747 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -14.622 7.071 13.371 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -14.475 6.551 14.161 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -14.625 7.978 13.677 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -18.169 4.324 13.881 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -18.855 4.676 14.448 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -17.646 5.087 13.635 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -10.337 -3.014 24.160 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -9.639 -2.940 24.810 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -10.718 -3.878 24.315 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -17.553 6.938 12.778 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -16.961 7.637 13.054 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -17.094 6.505 12.059 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -19.237 -0.398 11.894 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -19.282 0.541 12.073 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -20.125 -0.634 11.624 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -18.429 -5.616 20.567 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -18.658 -5.557 19.640 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -18.872 -6.408 20.874 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -19.499 8.324 16.728 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -20.331 8.797 16.755 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -18.953 8.834 16.129 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -11.521 9.364 11.053 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -12.165 8.733 11.375 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -10.759 8.833 10.821 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -9.036 8.236 28.407 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -9.387 7.380 28.650 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -8.310 8.379 29.014 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -6.917 9.181 11.287 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -6.634 8.387 11.740 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -6.177 9.414 10.726 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -15.962 5.091 11.144 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -15.898 4.297 11.675 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -15.309 4.972 10.455 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -13.648 4.717 28.445 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -13.976 4.988 27.587 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -13.496 3.776 28.357 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -14.813 3.063 13.450 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -15.272 2.579 14.136 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -14.558 2.395 12.814 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -13.742 1.306 11.713 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -13.922 1.152 10.785 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -12.791 1.414 11.757 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -10.504 3.427 29.084 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -9.551 3.511 29.056 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -10.664 2.716 29.703 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -13.190 2.120 24.621 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -12.439 1.964 24.048 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -13.529 2.972 24.345 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -7.458 2.724 27.727 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -7.739 3.433 27.149 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -6.515 2.651 27.576 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -21.627 12.026 17.274 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -22.274 11.564 16.741 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -21.272 11.354 17.857 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -20.757 10.107 19.079 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -21.091 9.226 19.251 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -20.535 10.452 19.943 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -5.194 6.273 29.619 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -6.060 6.168 30.013 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -4.818 7.032 30.066 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -20.677 3.182 21.530 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -20.493 3.100 20.595 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -19.828 3.058 21.954 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -4.856 3.074 27.159 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -4.273 2.340 27.350 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -4.292 3.846 27.205 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -5.390 -0.732 21.418 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -4.457 -0.520 21.384 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -5.625 -0.630 22.341 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -5.361 0.005 24.194 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -6.204 0.273 24.560 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -4.918 0.827 23.983 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -19.858 -3.235 20.562 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -19.413 -4.027 20.864 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -19.392 -2.519 20.993 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -16.131 8.910 24.433 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -16.556 9.719 24.150 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -15.226 8.995 24.131 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -11.820 10.309 27.392 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -11.635 9.975 28.270 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -10.973 10.618 27.070 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -9.475 11.594 26.636 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -8.798 10.962 26.396 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -9.153 11.996 27.444 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -18.729 12.166 24.480 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -19.449 12.606 24.029 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -19.095 11.915 25.329 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -16.262 11.766 23.510 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -17.127 11.838 23.914 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -16.317 12.313 22.726 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -11.551 11.654 22.686 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -12.008 12.183 22.032 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -11.388 12.257 23.411 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -19.314 10.789 21.391 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -19.333 10.364 22.248 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -18.509 10.471 20.982 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -11.127 -4.367 20.039 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -11.802 -4.996 20.294 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -10.563 -4.851 19.436 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -4.258 -5.121 18.485 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -3.646 -5.635 17.958 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -3.875 -4.243 18.508 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -14.221 -5.806 17.674 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -13.347 -5.418 17.644 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -14.357 -6.021 18.597 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -20.063 10.013 14.562 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -20.748 9.975 13.894 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -20.060 10.926 14.850 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -4.490 10.786 15.639 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -4.684 10.038 15.074 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -4.529 11.544 15.055 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -18.245 10.933 11.587 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -18.513 11.220 12.460 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -17.474 10.387 11.739 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -3.836 8.155 30.954 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -3.763 9.094 31.124 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -2.931 7.850 30.897 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -8.424 10.886 31.617 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -8.049 10.142 31.146 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -8.420 10.616 32.535 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -7.247 3.072 30.394 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -7.205 2.849 29.464 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -6.398 3.470 30.584 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -7.650 6.389 31.324 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -7.297 6.009 32.128 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -8.599 6.296 31.410 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -3.146 10.869 31.525 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -2.403 11.455 31.385 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -3.841 11.437 31.858 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -11.521 9.364 29.909 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -12.165 8.733 30.231 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -10.759 8.833 29.677 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -6.917 9.181 30.143 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -6.634 8.387 30.596 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -6.177 9.414 29.582 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -10.610 6.138 29.736 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -10.878 6.318 30.637 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -10.816 5.212 29.605 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -4.352 3.661 30.014 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -4.625 3.236 29.201 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -4.312 4.592 29.797 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -18.421 21.149 -14.881 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -18.379 20.523 -14.157 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -17.718 21.772 -14.699 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -17.497 25.599 -16.346 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -17.867 24.797 -16.715 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -16.556 25.430 -16.299 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -20.177 21.421 -18.827 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -19.963 20.651 -18.300 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -19.439 21.510 -19.430 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -12.400 23.967 -16.068 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -12.096 23.281 -16.662 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -11.678 24.085 -15.450 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -3.345 17.046 -12.971 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -4.034 17.704 -13.066 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -3.330 16.849 -12.034 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -14.725 23.056 -14.106 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -15.465 23.654 -14.003 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -14.011 23.610 -14.422 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -5.474 24.561 -12.213 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -5.334 23.970 -12.952 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -5.306 25.434 -12.569 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -3.632 20.901 -14.147 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -4.284 21.596 -14.058 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -3.167 21.111 -14.957 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -7.698 19.907 -12.421 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -7.618 20.670 -11.849 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -8.299 20.186 -13.112 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -14.583 25.791 -16.925 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -14.678 25.213 -17.682 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -13.854 25.420 -16.429 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -15.583 21.132 -15.973 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -15.018 21.253 -16.736 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -15.264 21.769 -15.334 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -9.274 26.635 -15.239 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -9.515 27.297 -14.591 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -9.472 25.801 -14.814 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -17.783 21.729 -12.027 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -17.713 22.380 -11.329 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -18.674 21.832 -12.362 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -21.116 26.576 -16.318 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -20.170 26.432 -16.337 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -21.229 27.360 -15.781 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -2.919 27.242 -10.636 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -2.968 26.287 -10.673 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -3.745 27.510 -10.234 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -5.767 18.735 -10.156 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -6.174 19.216 -10.876 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -5.726 17.830 -10.463 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -8.010 17.067 -11.935 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -8.524 16.941 -11.138 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -8.165 17.979 -12.180 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -11.273 19.367 -9.851 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -11.836 18.663 -9.531 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -10.447 19.247 -9.384 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -18.158 18.875 -13.201 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -18.196 19.275 -12.333 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -18.649 18.058 -13.111 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -10.107 20.276 -13.854 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -9.783 19.645 -14.497 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -10.547 19.741 -13.193 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -5.689 22.725 -14.298 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -5.047 23.182 -14.841 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -6.519 22.838 -14.760 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -11.319 23.776 -11.847 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -11.665 23.395 -11.041 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -11.519 24.710 -11.776 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -17.714 22.887 -17.315 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -16.969 22.885 -17.916 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -17.636 22.063 -16.833 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -20.706 21.348 -12.000 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -20.483 20.930 -11.168 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -21.308 20.735 -12.422 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -13.689 20.865 -9.787 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -13.985 20.699 -10.682 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -12.758 20.645 -9.797 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -9.069 26.238 -11.897 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -9.970 26.421 -12.165 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -9.035 26.497 -10.976 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -3.374 24.283 -10.693 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -4.226 24.521 -11.060 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -2.784 24.266 -11.446 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -13.397 28.217 -14.019 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -13.034 29.072 -14.252 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -12.865 27.925 -13.278 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -9.853 24.316 -14.318 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -10.279 24.089 -13.492 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -9.272 23.578 -14.501 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -7.194 28.868 -11.849 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -7.796 28.313 -12.344 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -6.913 29.535 -12.475 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -19.072 16.101 -12.442 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -19.965 16.440 -12.509 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -19.171 15.246 -12.024 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -5.613 16.115 -11.600 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -6.529 16.378 -11.688 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -5.277 16.112 -12.497 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -5.924 29.122 -15.882 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -6.080 29.800 -16.539 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -4.992 29.194 -15.679 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -7.913 23.489 -11.884 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -7.168 24.077 -12.004 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -8.670 24.071 -11.821 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -15.524 19.812 -11.906 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -16.142 20.487 -11.625 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -15.180 20.133 -12.739 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -15.184 17.167 -10.823 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -15.034 16.438 -11.426 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -15.182 17.944 -11.382 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -13.190 20.976 -13.091 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -12.439 20.820 -13.664 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -13.529 21.828 -13.367 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -8.774 18.791 -8.063 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -8.582 17.860 -8.174 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -7.917 19.216 -8.073 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -16.706 18.365 -8.912 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -17.473 17.833 -9.122 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -16.027 18.055 -9.511 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -12.702 17.315 -9.336 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -12.938 17.095 -8.434 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -13.485 17.108 -9.845 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -9.986 16.442 -10.260 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -10.934 16.474 -10.128 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -9.674 15.817 -9.606 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -8.352 15.076 -8.255 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -8.449 14.124 -8.261 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -8.674 15.345 -7.394 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -18.525 16.286 -9.207 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -18.314 15.579 -9.818 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -18.637 15.848 -8.363 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -13.391 13.970 -8.174 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -13.522 13.494 -8.995 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -13.990 14.714 -8.230 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -21.627 30.882 -20.438 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -22.274 30.420 -20.971 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -21.272 30.210 -19.855 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -20.757 28.963 -18.633 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -21.091 28.082 -18.461 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -20.535 29.308 -17.769 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -3.208 29.772 -15.653 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -3.230 29.957 -14.714 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -2.518 30.341 -15.994 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -3.645 29.339 -12.731 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -4.132 28.604 -13.102 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -3.096 28.946 -12.053 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -5.253 27.102 -13.500 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -5.901 27.427 -12.875 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -5.771 26.662 -14.175 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -20.677 22.038 -16.182 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -20.493 21.956 -17.117 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -19.828 21.914 -15.758 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -4.856 21.930 -10.553 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -4.273 21.196 -10.362 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -4.292 22.702 -10.507 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -3.359 19.833 -9.869 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -4.222 19.454 -10.034 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -2.755 19.094 -9.943 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -21.079 17.309 -10.041 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -20.160 17.187 -9.805 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -21.529 16.559 -9.652 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -3.078 12.841 -8.164 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -2.728 12.187 -8.770 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -2.931 13.678 -8.604 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -3.558 14.950 -9.815 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -4.475 15.221 -9.851 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -3.435 14.415 -10.599 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -9.475 30.450 -11.076 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -8.798 29.818 -11.316 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -9.153 30.852 -10.268 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -16.262 30.622 -14.202 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -17.127 30.694 -13.798 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -16.317 31.169 -14.986 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -11.551 30.510 -15.026 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -12.008 31.039 -15.680 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -11.388 31.113 -14.301 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -9.224 29.388 -14.081 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -10.128 29.553 -14.347 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -8.795 30.241 -14.147 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -6.619 30.958 -13.786 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -6.801 31.874 -13.997 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -6.443 30.548 -14.633 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -19.314 29.645 -16.321 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -19.333 29.220 -15.464 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -18.509 29.327 -16.730 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -17.173 28.355 -17.666 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -17.392 27.439 -17.497 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -16.349 28.495 -17.200 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -14.636 28.825 -16.818 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -14.423 27.937 -17.105 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -14.571 28.791 -15.863 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -18.843 13.637 -10.334 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -19.209 12.872 -9.891 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -17.930 13.666 -10.047 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -16.870 12.988 -8.798 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -15.971 12.714 -8.983 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -17.256 12.245 -8.334 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -8.448 12.320 -8.616 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -8.372 11.894 -7.762 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -7.555 12.334 -8.958 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -3.345 17.046 5.885 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -4.034 17.704 5.790 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -3.330 16.849 6.822 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -6.271 14.599 4.449 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -7.007 15.210 4.411 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -5.587 15.014 3.923 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -5.026 12.645 -5.135 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -5.925 12.784 -4.840 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -4.774 13.476 -5.537 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -8.010 17.067 6.921 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -8.524 16.941 7.718 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -8.165 17.979 6.676 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -11.674 15.804 -6.648 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -11.928 15.823 -5.725 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -11.931 14.932 -6.949 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -14.792 16.249 -7.547 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -15.223 15.804 -6.817 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -15.510 16.621 -8.059 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -8.924 15.438 3.050 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -9.601 15.569 3.714 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -9.410 15.283 2.240 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -11.469 14.303 -1.826 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -11.816 14.921 -1.181 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -10.811 14.804 -2.307 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -15.812 15.366 -5.138 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -15.895 16.255 -4.792 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -14.922 15.101 -4.907 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -5.613 16.115 7.256 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -6.529 16.378 7.168 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -5.277 16.112 6.359 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -18.429 13.240 1.711 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -18.658 13.299 0.784 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -18.872 12.448 2.018 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -8.774 18.791 10.793 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -8.582 17.860 10.682 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -7.917 19.216 10.783 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -9.986 16.442 8.596 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -10.934 16.474 8.728 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -9.674 15.817 9.250 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -8.352 15.076 10.601 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -8.449 14.124 10.595 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -8.674 15.345 11.462 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -21.627 30.882 -1.582 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -22.274 30.420 -2.115 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -21.272 30.210 -0.999 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -5.634 15.988 -7.840 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -5.024 15.616 -7.203 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -6.471 15.566 -7.644 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -3.558 14.950 9.041 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -4.475 15.221 9.005 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -3.435 14.415 8.257 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -3.522 14.873 -6.297 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -3.109 14.152 -6.773 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -2.840 15.543 -6.239 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -21.241 14.878 -3.170 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -22.166 15.087 -3.300 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -20.787 15.362 -3.860 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -21.277 13.616 5.174 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -21.942 13.370 5.817 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -21.720 14.238 4.597 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -4.557 13.040 6.860 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -5.370 13.365 6.472 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -4.324 12.280 6.327 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -11.127 14.489 1.183 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -11.802 13.860 1.438 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -10.563 14.005 0.580 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -5.985 12.596 1.295 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -5.381 13.144 0.794 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -6.854 12.916 1.055 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -4.258 13.735 -0.371 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -3.646 13.221 -0.898 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -3.875 14.613 -0.348 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -18.801 13.123 -0.995 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -19.578 12.889 -1.503 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -18.270 12.326 -0.987 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -19.964 12.921 -5.192 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -19.525 13.532 -5.783 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -20.598 13.459 -4.718 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -14.221 13.050 -1.182 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -13.347 13.438 -1.212 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -14.357 12.835 -0.259 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -8.664 13.080 0.467 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -8.588 13.175 -0.482 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -8.940 12.172 0.596 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -7.311 13.106 -3.840 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -8.014 13.720 -4.050 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -7.756 12.268 -3.709 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -18.103 14.837 -6.749 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -17.612 14.207 -7.277 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -17.480 15.133 -6.086 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -13.077 15.130 -4.292 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -12.899 14.484 -3.609 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -13.131 15.964 -3.825 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -18.843 13.637 8.522 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -19.209 12.872 8.965 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -17.930 13.666 8.809 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -16.870 12.988 10.058 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -15.971 12.714 9.873 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -17.256 12.245 10.522 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -8.448 12.320 10.240 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -8.372 11.894 11.094 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -7.555 12.334 9.898 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -9.722 22.279 17.819 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -9.633 23.223 17.687 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -10.361 22.004 17.161 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -10.789 21.534 21.238 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -10.827 20.888 21.943 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -11.112 21.068 20.467 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -18.421 21.149 22.831 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -18.379 20.523 23.555 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -17.718 21.772 23.013 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -17.497 25.599 21.366 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -17.867 24.797 20.997 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -16.556 25.430 21.413 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -20.177 21.421 18.885 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -19.963 20.651 19.412 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -19.439 21.510 18.282 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -9.259 18.361 21.972 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -9.116 17.414 21.992 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -9.365 18.568 21.043 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -8.382 16.593 17.645 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -7.736 16.264 18.270 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -7.872 17.111 17.022 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -19.484 18.859 20.006 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -18.830 18.309 20.438 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -19.460 18.585 19.090 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -3.345 17.046 24.741 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -4.034 17.704 24.646 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -3.330 16.849 25.678 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -17.294 15.380 23.318 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -17.513 15.910 22.552 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -17.962 15.607 23.966 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -9.925 24.880 16.862 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -10.221 24.558 16.011 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -10.249 25.780 16.904 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -6.618 15.884 19.626 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -6.833 15.118 20.158 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -5.962 16.356 20.139 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -17.700 17.272 21.271 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -17.087 17.905 21.644 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -17.188 16.800 20.614 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -7.160 25.995 17.022 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -7.417 25.305 16.410 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -7.089 25.552 17.867 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -11.001 21.523 15.271 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -11.713 22.058 14.920 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -10.310 21.579 14.611 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -7.595 21.733 16.223 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -8.327 21.961 16.796 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -7.148 21.019 16.678 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -7.698 19.907 25.291 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -7.618 20.670 25.863 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -8.299 20.186 24.600 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -14.583 25.791 20.787 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -14.678 25.213 20.030 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -13.854 25.420 21.283 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -15.583 21.132 21.739 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -15.018 21.253 20.976 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -15.264 21.769 22.378 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -8.724 20.895 13.908 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -8.145 21.045 14.655 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -8.310 21.366 13.185 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -10.998 27.632 17.343 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -10.524 27.927 18.121 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -11.561 28.370 17.110 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -5.026 12.645 13.721 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -5.925 12.784 14.016 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -4.774 13.476 13.319 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -11.526 30.588 15.758 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -11.601 30.467 14.812 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -11.493 31.538 15.877 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -17.872 29.377 17.539 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -17.720 29.029 18.418 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -18.723 29.021 17.284 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -8.755 29.668 15.510 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -9.690 29.768 15.689 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -8.475 28.959 16.088 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -5.767 18.735 27.556 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -6.174 19.216 26.836 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -5.726 17.830 27.249 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -15.999 13.589 21.549 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -16.860 13.502 21.141 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -16.021 14.445 21.976 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -11.336 13.311 24.923 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -10.916 12.896 25.676 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -12.269 13.133 25.040 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -8.010 17.067 25.777 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -8.524 16.941 26.574 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -8.165 17.979 25.532 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -7.247 21.928 11.538 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -7.205 21.705 10.608 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -6.398 22.326 11.728 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -15.908 18.555 22.644 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -16.550 18.514 23.353 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -15.871 19.481 22.406 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -10.375 19.192 16.373 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -10.784 20.007 16.081 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -9.655 19.052 15.758 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -9.371 18.638 19.187 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -9.566 19.243 18.472 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -9.189 17.804 18.752 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -18.158 18.875 24.511 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -18.196 19.275 25.379 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -18.649 18.058 24.601 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -8.924 15.438 21.906 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -9.601 15.569 22.570 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -9.410 15.283 21.096 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -12.009 18.991 20.529 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -11.445 18.444 19.982 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -12.157 18.469 21.318 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -13.383 17.379 22.943 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -14.218 17.833 23.053 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -12.859 17.655 23.695 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -8.941 16.406 12.827 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -9.879 16.518 12.676 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -8.644 17.263 13.133 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -8.223 18.273 14.488 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -7.331 18.136 14.807 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -8.166 19.064 13.951 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -17.714 22.887 20.397 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -16.969 22.885 19.796 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -17.636 22.063 20.879 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -10.713 25.051 13.653 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -11.008 25.877 14.035 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -11.416 24.431 13.849 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -3.338 18.483 14.182 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -3.892 18.087 13.510 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -3.237 19.393 13.905 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -5.042 27.269 14.647 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -5.415 26.443 14.957 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -4.765 27.086 13.750 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -15.339 26.405 17.802 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -14.812 27.178 17.601 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -16.219 26.630 17.500 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -15.228 29.090 16.923 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -16.178 29.195 16.975 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -14.877 29.910 17.268 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -6.784 23.918 14.694 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -7.061 23.190 15.250 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -5.857 24.037 14.900 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -10.337 15.842 24.160 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -9.639 15.916 24.810 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -10.718 14.978 24.315 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -11.884 27.625 14.120 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -12.701 28.122 14.173 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -11.355 28.100 13.480 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -14.546 28.668 14.102 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -14.385 29.468 13.601 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -14.743 28.975 14.987 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -5.613 16.115 26.112 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -6.529 16.378 26.024 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -5.277 16.112 25.215 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -7.011 19.866 20.208 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -7.808 19.451 19.879 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -6.566 19.175 20.699 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -18.429 13.240 20.567 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -18.658 13.299 19.640 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -18.872 12.448 20.874 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -19.499 27.180 16.728 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -20.331 27.653 16.755 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -18.953 27.690 16.129 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -14.772 15.537 24.381 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -14.236 15.988 23.729 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -15.624 15.429 23.959 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -13.966 12.993 24.813 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -14.064 13.940 24.707 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -14.709 12.621 24.337 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -9.986 16.442 27.452 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -10.934 16.474 27.584 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -9.674 15.817 28.106 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -8.352 15.076 29.457 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -8.449 14.124 29.451 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -8.674 15.345 30.318 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -13.844 30.853 12.714 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -12.911 31.011 12.858 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -14.108 31.528 12.089 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -3.893 23.386 15.133 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -3.043 23.807 15.261 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -3.888 22.646 15.741 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -3.231 21.340 13.348 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -3.752 21.697 12.629 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -3.264 22.015 14.026 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -4.882 18.580 11.899 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -4.785 19.247 11.219 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -5.022 17.764 11.417 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -20.677 22.038 21.530 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -20.493 21.956 20.595 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -19.828 21.914 21.954 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -5.634 15.988 11.016 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -5.024 15.616 11.653 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -6.471 15.566 11.212 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -6.002 17.543 15.982 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -5.722 16.636 16.107 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -5.243 17.977 15.593 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -5.390 18.124 21.418 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -4.457 18.336 21.384 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -5.625 18.226 22.341 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -5.361 18.861 24.194 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -6.204 19.129 24.560 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -4.918 19.683 23.983 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -3.078 12.841 29.548 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -2.728 12.187 28.942 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -2.931 13.678 29.108 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -5.388 14.806 16.031 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -5.206 14.357 16.856 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -5.988 14.221 15.567 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -19.858 15.621 20.562 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -19.413 14.829 20.864 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -19.392 16.337 20.993 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -21.554 18.620 21.631 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -21.062 18.399 20.841 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -21.192 19.461 21.912 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -3.558 14.950 27.897 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -4.475 15.221 27.861 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -3.435 14.415 27.113 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -3.522 14.873 12.559 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -3.109 14.152 12.083 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -2.840 15.543 12.617 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -6.470 29.862 17.631 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -5.817 29.515 17.023 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -5.959 30.351 18.277 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -18.801 13.123 17.861 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -19.578 12.889 17.353 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -18.270 12.326 17.869 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -19.964 12.921 13.664 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -19.525 13.532 13.073 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -20.598 13.459 14.138 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -20.063 28.869 14.562 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -20.748 28.831 13.894 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -20.060 29.782 14.850 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -4.490 29.642 15.639 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -4.684 28.894 15.074 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -4.529 30.400 15.055 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -18.245 29.789 11.587 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -18.513 30.076 12.460 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -17.474 29.243 11.739 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -8.448 12.320 29.096 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -8.372 11.894 29.950 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -7.555 12.334 28.754 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -5.026 12.645 32.577 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -5.925 12.784 32.872 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -4.774 13.476 32.175 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -5.634 15.988 29.872 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -5.024 15.616 30.509 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -6.471 15.566 30.068 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -3.522 14.873 31.415 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -3.109 14.152 30.939 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -2.840 15.543 31.473 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -20.210 48.649 -28.510 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -19.670 48.432 -27.751 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -20.691 47.843 -28.700 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -19.085 45.647 -28.394 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -19.906 45.822 -28.854 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -19.337 45.574 -27.473 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -10.789 40.390 -16.474 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -10.827 39.744 -15.769 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -11.112 39.924 -17.245 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -20.887 38.115 -20.953 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -21.335 38.961 -20.971 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -21.448 37.535 -21.468 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -20.177 40.277 -18.827 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -19.963 39.507 -18.300 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -19.439 40.366 -19.430 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -12.400 42.823 -16.068 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -12.096 42.137 -16.662 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -11.678 42.941 -15.450 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -3.737 34.424 -15.207 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -3.688 35.034 -14.471 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -3.311 34.885 -15.930 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -9.259 37.217 -15.740 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -9.116 36.270 -15.720 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -9.365 37.424 -16.669 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -16.104 35.318 -18.468 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -16.061 36.178 -18.886 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -16.562 34.766 -19.101 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -19.484 37.715 -17.706 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -18.830 37.165 -17.274 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -19.460 37.441 -18.622 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -14.328 39.265 -18.490 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -13.712 38.739 -17.981 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -14.914 38.625 -18.894 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -3.345 35.902 -12.971 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -4.034 36.560 -13.066 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -3.330 35.705 -12.034 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -14.725 41.912 -14.106 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -15.465 42.510 -14.003 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -14.011 42.466 -14.422 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -16.317 43.876 -13.319 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -16.323 44.755 -13.697 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -17.171 43.793 -12.894 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -20.196 43.547 -22.537 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -20.468 43.776 -23.426 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -20.151 44.385 -22.077 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -6.271 33.455 -14.407 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -7.007 34.066 -14.445 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -5.587 33.870 -14.933 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -13.268 31.542 -16.941 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -13.385 30.593 -16.995 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -14.123 31.874 -16.668 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -7.698 38.763 -12.421 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -7.618 39.526 -11.849 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -8.299 39.042 -13.112 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -15.950 41.219 -19.606 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -16.280 40.849 -20.425 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -15.362 40.549 -19.260 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -14.583 44.647 -16.925 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -14.678 44.069 -17.682 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -13.854 44.276 -16.429 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -15.583 39.988 -15.973 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -15.018 40.109 -16.736 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -15.264 40.625 -15.334 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -14.703 44.387 -11.256 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -15.015 45.169 -10.800 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -15.353 44.234 -11.942 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -16.464 46.459 -10.492 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -16.456 46.323 -11.440 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -17.380 46.341 -10.240 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -16.960 40.289 -22.017 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -17.252 41.057 -22.508 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -17.634 39.629 -22.180 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -5.767 37.591 -10.156 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -6.174 38.072 -10.876 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -5.726 36.686 -10.463 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -15.999 32.445 -16.163 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -16.860 32.358 -16.571 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -16.021 33.301 -15.736 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -8.010 35.923 -11.935 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -8.524 35.797 -11.138 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -8.165 36.835 -12.180 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -9.371 37.494 -18.525 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -9.566 38.099 -19.240 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -9.189 36.660 -18.960 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -21.550 34.847 -19.351 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -20.919 34.818 -18.631 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -21.100 34.422 -20.081 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -20.275 35.593 -23.927 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -19.801 36.184 -24.512 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -20.993 36.124 -23.580 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -10.107 39.132 -13.854 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -9.783 38.501 -14.497 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -10.547 38.597 -13.193 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -13.329 35.059 -19.070 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -14.240 35.116 -18.781 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -12.824 34.999 -18.259 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -18.501 36.688 -20.243 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -19.390 36.788 -20.583 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -18.205 35.846 -20.589 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -8.924 34.294 -15.806 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -9.601 34.425 -15.142 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -9.410 34.139 -16.616 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -12.009 37.847 -17.183 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -11.445 37.300 -17.730 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -12.157 37.325 -16.394 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -11.319 42.632 -11.847 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -11.665 42.251 -11.041 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -11.519 43.566 -11.776 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -13.912 42.924 -20.334 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -14.153 43.849 -20.292 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -14.652 42.465 -19.938 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -13.397 47.073 -14.019 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -13.034 47.928 -14.252 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -12.865 46.781 -13.278 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -15.228 47.946 -20.789 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -16.178 48.051 -20.737 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -14.877 48.766 -20.444 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -14.622 44.783 -24.341 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -14.475 44.263 -23.551 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -14.625 45.690 -24.035 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -18.169 42.036 -23.831 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -18.855 42.388 -23.264 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -17.646 42.799 -24.077 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -14.546 47.524 -23.610 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -14.385 48.324 -24.111 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -14.743 47.831 -22.725 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -5.613 34.971 -11.600 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -6.529 35.234 -11.688 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -5.277 34.968 -12.497 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -17.553 44.650 -24.934 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -16.961 45.349 -24.658 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -17.094 44.217 -25.653 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -18.429 32.096 -17.145 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -18.658 32.155 -18.072 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -18.872 31.304 -16.838 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -20.210 48.649 -9.654 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -19.670 48.432 -8.895 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -20.691 47.843 -9.844 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -15.613 47.568 -8.034 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -14.845 47.109 -7.693 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -15.634 47.342 -8.964 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -9.036 45.948 -9.305 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -9.387 45.092 -9.062 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -8.310 46.091 -8.698 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -13.648 42.429 -9.267 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -13.976 42.700 -10.125 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -13.496 41.488 -9.355 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -7.913 42.345 -11.884 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -7.168 42.933 -12.004 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -8.670 42.927 -11.821 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -13.190 39.832 -13.091 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -12.439 39.676 -13.664 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -13.529 40.684 -13.367 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -7.458 40.436 -9.985 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -7.739 41.145 -10.563 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -6.515 40.363 -10.136 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -20.276 44.345 -25.515 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -19.362 44.424 -25.242 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -20.269 43.658 -26.182 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -5.194 43.985 -8.093 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -6.060 43.880 -7.699 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -4.818 44.744 -7.646 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.856 40.786 -10.553 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -4.273 40.052 -10.362 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -4.292 41.558 -10.507 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -3.359 38.689 -9.869 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -4.222 38.310 -10.034 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -2.755 37.950 -9.943 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -5.361 37.717 -13.518 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -6.204 37.985 -13.152 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -4.918 38.539 -13.729 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -19.858 34.477 -17.150 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -19.413 33.685 -16.848 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -19.392 35.193 -16.719 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -21.554 37.476 -16.081 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -21.062 37.255 -16.871 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -21.192 38.317 -15.800 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -21.241 33.734 -22.026 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -22.166 33.943 -22.156 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -20.787 34.218 -22.716 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -16.131 46.622 -13.279 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -16.556 47.431 -13.562 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -15.226 46.707 -13.581 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -18.729 49.878 -13.232 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -19.449 50.318 -13.683 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -19.095 49.627 -12.383 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -16.262 49.478 -14.202 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -17.127 49.550 -13.798 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -16.317 50.025 -14.986 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -14.636 47.681 -16.818 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -14.423 46.793 -17.105 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -14.571 47.647 -15.863 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -11.127 33.345 -17.673 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -11.802 32.716 -17.418 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -10.563 32.861 -18.276 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -18.801 31.979 -19.851 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -19.578 31.745 -20.359 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -18.270 31.182 -19.843 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -19.964 31.777 -24.048 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -19.525 32.388 -24.639 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -20.598 32.315 -23.574 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -18.245 48.645 -26.125 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -18.513 48.932 -25.252 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -17.474 48.099 -25.973 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -17.497 44.455 2.510 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -17.867 43.653 2.141 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -16.556 44.286 2.557 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -9.972 48.434 0.896 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -9.352 47.757 0.623 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -10.180 48.216 1.804 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -16.317 43.876 5.537 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -16.323 44.755 5.159 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -17.171 43.793 5.962 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -6.571 45.169 3.032 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -7.513 45.227 3.193 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -6.295 46.075 2.895 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -8.319 46.950 -0.343 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -7.894 46.243 -0.828 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -8.002 47.751 -0.760 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -7.160 44.851 -1.834 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -7.417 44.161 -2.446 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -7.089 44.408 -0.989 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -14.583 44.647 1.931 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -14.678 44.069 1.174 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -13.854 44.276 2.427 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -9.274 45.491 3.617 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -9.515 46.153 4.265 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -9.472 44.657 4.042 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -14.703 44.387 7.600 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -15.015 45.169 8.056 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -15.353 44.234 6.914 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -10.998 46.488 -1.513 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -10.524 46.783 -0.735 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -11.561 47.226 -1.746 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -3.836 45.867 -6.758 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -3.763 46.806 -6.588 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -2.931 45.562 -6.815 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -20.867 42.652 5.654 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -21.368 42.624 4.839 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -20.861 41.746 5.964 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -21.116 45.432 2.538 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -20.170 45.288 2.519 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -21.229 46.216 3.075 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -2.919 46.098 8.220 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -2.968 45.143 8.183 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -3.745 46.366 8.622 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -11.940 45.672 7.096 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -11.853 46.498 7.571 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -12.804 45.342 7.345 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -8.424 48.598 -6.095 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -8.049 47.854 -6.566 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -8.420 48.328 -5.177 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -8.755 48.524 -3.346 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -9.690 48.624 -3.167 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -8.475 47.815 -2.768 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -5.767 37.591 8.700 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -6.174 38.072 7.980 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -5.726 36.686 8.393 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -18.618 43.975 6.697 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -18.401 43.614 7.557 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -19.473 43.601 6.487 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -21.550 34.847 -0.495 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -20.919 34.818 0.225 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -21.100 34.422 -1.225 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -18.039 42.440 8.935 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -17.306 42.694 9.496 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -18.819 42.644 9.450 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -12.839 42.448 -4.228 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -13.583 41.941 -4.551 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -12.973 42.497 -3.282 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -11.319 42.632 7.009 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -11.665 42.251 7.815 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -11.519 43.566 7.080 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -10.713 43.907 -5.203 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -11.008 44.733 -4.821 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -11.416 43.287 -5.007 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -13.689 39.721 9.069 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -13.985 39.555 8.174 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -12.758 39.501 9.059 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -9.069 45.094 6.959 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -9.970 45.277 6.691 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -9.035 45.353 7.880 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -3.374 43.139 8.163 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -4.226 43.377 7.796 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -2.784 43.122 7.410 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -5.042 46.125 -4.209 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -5.415 45.299 -3.899 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -4.765 45.942 -5.106 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -15.339 45.261 -1.054 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -14.812 46.034 -1.255 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -16.219 45.486 -1.356 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -13.912 42.924 -1.478 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -14.153 43.849 -1.436 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -14.652 42.465 -1.082 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -13.397 47.073 4.837 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -13.034 47.928 4.604 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -12.865 46.781 5.578 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -7.650 44.101 -6.388 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -7.297 43.721 -5.584 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -8.599 44.008 -6.302 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -7.194 47.724 7.007 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -7.796 47.169 6.512 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -6.913 48.391 6.381 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -13.559 45.213 -7.941 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -13.320 44.465 -8.489 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -13.828 44.825 -7.109 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -14.622 44.783 -5.485 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -14.475 44.263 -4.695 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -14.625 45.690 -5.179 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -11.884 46.481 -4.736 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -12.701 46.978 -4.683 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -11.355 46.956 -5.376 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -17.553 44.650 -6.078 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -16.961 45.349 -5.802 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -17.094 44.217 -6.797 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -5.924 47.978 2.974 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -6.080 48.656 2.317 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -4.992 48.050 3.177 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -19.499 46.036 -2.128 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -20.331 46.509 -2.101 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -18.953 46.546 -2.727 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -9.036 45.948 9.551 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -9.387 45.092 9.794 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -8.310 46.091 10.158 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -6.917 46.893 -7.569 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -6.634 46.099 -7.116 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -6.177 47.126 -8.130 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -20.303 42.459 10.156 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -20.159 41.557 9.870 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -21.076 42.745 9.668 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -15.962 42.803 -7.712 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -15.898 42.009 -7.181 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -15.309 42.684 -8.401 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -13.648 42.429 9.589 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -13.976 42.700 8.731 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -13.496 41.488 9.501 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -10.610 43.850 -7.976 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -10.878 44.030 -7.075 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -10.816 42.924 -8.107 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -19.471 39.659 9.576 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -19.063 38.802 9.455 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -19.731 39.674 10.497 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -10.504 41.139 10.228 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -9.551 41.223 10.200 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -10.664 40.428 10.847 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -4.352 41.373 -7.698 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -4.625 40.948 -8.511 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -4.312 42.304 -7.915 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -8.774 37.647 10.793 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -8.582 36.716 10.682 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -7.917 38.072 10.783 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -16.706 37.221 9.944 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -17.473 36.689 9.734 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -16.027 36.911 9.345 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -8.352 33.932 10.601 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -8.449 32.980 10.595 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -8.674 34.201 11.462 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -18.525 35.142 9.649 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -18.314 34.435 9.038 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -18.637 34.704 10.493 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -3.208 48.628 3.203 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -3.230 48.813 4.142 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -2.518 49.197 2.862 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -5.194 43.985 10.763 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -6.060 43.880 11.157 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -4.818 44.744 11.210 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -5.253 45.958 5.356 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -5.901 46.283 5.981 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -5.771 45.518 4.681 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -4.856 40.786 8.303 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -4.273 40.052 8.494 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -4.292 41.558 8.349 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -3.359 38.689 8.987 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -4.222 38.310 8.822 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -2.755 37.950 8.913 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -21.079 36.165 8.815 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -20.160 36.043 9.051 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -21.529 35.415 9.204 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -6.470 48.718 -1.225 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -5.817 48.371 -1.833 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -5.959 49.207 -0.579 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -16.131 46.622 5.577 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -16.556 47.431 5.294 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -15.226 46.707 5.275 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -9.224 48.244 4.775 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -10.128 48.409 4.509 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -8.795 49.097 4.709 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -17.173 47.211 1.190 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -17.392 46.295 1.359 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -16.349 47.351 1.656 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -14.636 47.681 2.038 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -14.423 46.793 1.751 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -14.571 47.647 2.993 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -20.063 47.725 -4.294 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -20.748 47.687 -4.962 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -20.060 48.638 -4.006 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -4.490 48.498 -3.217 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -4.684 47.750 -3.782 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -4.529 49.256 -3.801 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -18.245 48.645 -7.269 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -18.513 48.932 -6.396 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -17.474 48.099 -7.117 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -10.947 38.837 12.310 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -10.246 38.859 12.961 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -10.645 38.209 11.654 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -7.247 40.784 11.538 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -7.205 40.561 10.608 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -6.398 41.182 11.728 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -14.848 36.688 15.125 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -13.916 36.817 15.303 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -15.063 37.358 14.476 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -16.174 37.883 12.692 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -16.716 37.503 12.001 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -15.340 38.077 12.263 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -8.941 35.262 12.827 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -9.879 35.374 12.676 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -8.644 36.119 13.133 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -8.223 37.129 14.488 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -7.331 36.992 14.807 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -8.166 37.920 13.951 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -3.338 37.339 14.182 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -3.892 36.943 13.510 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -3.237 38.249 13.905 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -9.553 34.350 15.257 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -9.333 34.822 14.454 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -8.995 34.745 15.928 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -12.353 36.078 16.092 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -11.541 36.582 16.138 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -12.598 35.933 17.006 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -11.469 33.159 17.030 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -11.816 33.777 17.675 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -10.811 33.660 16.549 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -15.812 34.222 13.718 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -15.895 35.111 14.064 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -14.922 33.957 13.949 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -19.237 37.314 11.894 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -19.282 38.253 12.073 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -20.125 37.078 11.624 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -10.610 43.850 10.880 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -10.878 44.030 11.781 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -10.816 42.924 10.749 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -14.813 40.775 13.450 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -15.272 40.291 14.136 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -14.558 40.107 12.814 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -13.742 39.018 11.713 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -13.922 38.864 10.785 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -12.791 39.126 11.757 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -4.352 41.373 11.158 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -4.625 40.948 10.345 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -4.312 42.304 10.941 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -3.231 40.196 13.348 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -3.752 40.553 12.629 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -3.264 40.871 14.026 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -4.882 37.436 11.899 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -4.785 38.103 11.219 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -5.022 36.620 11.417 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -6.002 36.399 15.982 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -5.722 35.492 16.107 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -5.243 36.833 15.593 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -5.388 33.662 16.031 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -5.206 33.213 16.856 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -5.988 33.077 15.567 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -4.258 32.591 18.485 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -3.646 32.077 17.958 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -3.875 33.469 18.508 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -19.964 31.777 13.664 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -19.525 32.388 13.073 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -20.598 32.315 14.138 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -7.311 31.962 15.016 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -8.014 32.576 14.806 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -7.756 31.124 15.147 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -18.103 33.693 12.107 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -17.612 33.063 11.579 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -17.480 33.989 12.770 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -13.077 33.986 14.564 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -12.899 33.340 15.247 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -13.131 34.820 15.031 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -13.268 50.398 -16.941 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -13.385 49.449 -16.995 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -14.123 50.730 -16.668 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -15.999 51.301 -16.163 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -16.860 51.214 -16.571 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -16.021 52.157 -15.736 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -21.550 53.703 -19.351 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -20.919 53.674 -18.631 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -21.100 53.278 -20.081 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -20.275 54.449 -23.927 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -19.801 55.040 -24.512 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -20.993 54.980 -23.580 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -18.429 50.952 -17.145 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -18.658 51.011 -18.072 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -18.872 50.160 -16.838 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -19.858 53.333 -17.150 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -19.413 52.541 -16.848 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -19.392 54.049 -16.719 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -21.554 56.332 -16.081 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -21.062 56.111 -16.871 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -21.192 57.173 -15.800 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -21.241 52.590 -22.026 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -22.166 52.799 -22.156 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -20.787 53.074 -22.716 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -21.277 51.328 -13.682 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -21.942 51.082 -13.039 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -21.720 51.950 -14.259 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -18.801 50.835 -19.851 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -19.578 50.601 -20.359 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -18.270 50.038 -19.843 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -19.964 50.633 -24.048 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -19.525 51.244 -24.639 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -20.598 51.171 -23.574 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -14.221 50.762 -20.038 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -13.347 51.150 -20.068 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -14.357 50.547 -19.115 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -18.103 52.549 -25.605 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -17.612 51.919 -26.133 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -17.480 52.845 -24.942 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -18.843 51.349 -10.334 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -19.209 50.584 -9.891 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -17.930 51.378 -10.047 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -16.870 50.700 -8.798 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -15.971 50.426 -8.983 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -17.256 49.957 -8.334 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -19.964 50.633 -5.192 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -19.525 51.244 -5.783 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -20.598 51.171 -4.718 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -1.354 -7.919 9.202 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -0.814 -8.136 9.961 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -1.835 -8.725 9.012 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -1.340 -13.021 15.175 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -1.612 -12.792 14.286 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -1.295 -12.183 15.635 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -2.260 -11.136 21.394 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -1.314 -11.280 21.375 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -2.373 -10.352 21.931 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 0.984 -8.335 17.539 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 1.136 -8.683 18.418 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 0.133 -8.691 17.284 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -0.643 -10.532 16.728 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -1.475 -10.059 16.755 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -0.097 -10.022 16.129 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -1.901 -8.749 19.079 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -2.235 -9.630 19.251 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -1.679 -8.404 19.943 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -0.458 -8.067 21.391 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -0.477 -8.492 22.248 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 0.347 -8.385 20.982 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -1.207 -8.843 14.562 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -1.892 -8.881 13.894 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -1.204 -7.930 14.850 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 0.611 -7.923 11.587 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 0.343 -7.636 12.460 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 1.382 -8.469 11.739 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 0.817 4.728 8.935 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 1.550 4.982 9.496 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 0.037 4.932 9.450 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -1.850 2.492 6.856 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -1.627 2.074 7.688 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -2.452 1.879 6.434 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -0.216 -2.755 6.414 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -1.109 -2.416 6.347 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -0.315 -3.610 6.832 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -1.447 4.747 10.156 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -1.303 3.845 9.870 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -2.220 5.033 9.668 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -0.615 1.947 9.576 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -0.207 1.090 9.455 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -0.875 1.962 10.497 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 2.150 -0.491 9.944 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 1.383 -1.023 9.734 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 2.829 -0.801 9.345 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 0.331 -2.570 9.649 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 0.542 -3.277 9.038 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 0.219 -3.008 10.493 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -2.771 12.026 -1.582 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -3.418 11.564 -2.115 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -2.416 11.354 -0.999 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -2.223 -1.547 8.815 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -1.304 -1.669 9.051 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -2.673 -2.297 9.204 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -0.229 7.935 9.318 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -1.050 8.110 8.858 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -0.481 7.862 10.239 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 0.013 -5.219 8.522 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -0.353 -5.984 8.965 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 0.926 -5.190 8.809 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 1.986 -5.868 10.058 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 2.885 -6.142 9.873 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 1.600 -6.611 10.522 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 0.435 2.293 22.831 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 0.477 1.667 23.555 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 1.138 2.916 23.013 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 1.359 6.743 21.366 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 0.989 5.941 20.997 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 2.300 6.574 21.413 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -1.321 2.565 18.885 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -1.107 1.795 19.412 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -0.583 2.654 18.282 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 2.752 -2.394 19.244 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 2.795 -1.534 18.826 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 2.294 -2.946 18.611 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -0.628 0.003 20.006 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 0.026 -0.547 20.438 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -0.604 -0.271 19.090 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 1.156 -1.584 21.271 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 1.769 -0.951 21.644 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 1.668 -2.056 20.614 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 2.906 3.507 18.106 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 2.576 3.137 17.287 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 3.494 2.837 18.452 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 1.896 2.577 15.695 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 1.604 3.345 15.204 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 1.222 1.917 15.532 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -2.011 4.940 24.510 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -2.512 4.912 23.695 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -2.005 4.034 24.820 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 0.984 10.521 17.539 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 1.136 10.173 18.418 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 0.133 10.165 17.284 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 0.238 6.263 25.553 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 0.455 5.902 26.413 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -0.617 5.889 25.343 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 2.945 -0.080 17.556 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 2.052 -0.421 17.497 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 3.396 -0.457 16.800 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 4.064 -2.607 11.309 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 3.633 -3.052 12.039 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 3.346 -2.235 10.797 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 0.355 -1.024 17.469 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -0.534 -0.924 17.129 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 0.651 -1.866 17.123 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 4.008 -1.024 15.125 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 4.940 -0.895 15.303 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 3.793 -0.354 14.476 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 2.682 0.171 12.692 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 2.140 -0.209 12.001 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 3.516 0.365 12.263 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 1.849 -3.729 16.947 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 1.532 -4.631 16.912 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 2.630 -3.727 16.395 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 1.142 4.031 20.397 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 1.887 4.029 19.796 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 1.220 3.207 20.879 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -1.850 2.492 25.712 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -1.627 2.074 26.544 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -2.452 1.879 25.290 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 3.517 7.549 17.802 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 4.044 8.322 17.601 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 2.637 7.774 17.500 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -0.728 2.411 12.389 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -0.112 3.038 12.768 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -1.590 2.727 12.660 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 4.944 5.212 17.378 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 4.703 6.137 17.420 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 4.204 4.753 17.774 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 3.628 10.234 16.923 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 2.678 10.339 16.975 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 3.979 11.054 17.268 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -0.565 9.050 23.705 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -0.348 8.118 23.674 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -0.318 9.324 24.589 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 4.234 7.071 13.371 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 4.381 6.551 14.161 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 4.231 7.978 13.677 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 0.687 4.324 13.881 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 0.001 4.676 14.448 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 1.210 5.087 13.635 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 4.310 9.812 14.102 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 4.471 10.612 13.601 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 4.113 10.119 14.987 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 3.044 -3.490 13.718 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 2.961 -2.601 14.064 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 3.934 -3.755 13.949 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 1.303 6.938 12.778 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 1.895 7.637 13.054 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 1.762 6.505 12.059 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -0.381 -0.398 11.894 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -0.426 0.541 12.073 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -1.269 -0.634 11.624 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 0.427 -5.616 20.567 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 0.198 -5.557 19.640 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -0.016 -6.408 20.874 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -1.354 10.937 28.058 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -0.814 10.720 28.817 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -1.835 10.131 27.868 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -1.447 4.747 29.012 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -1.303 3.845 28.726 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -2.220 5.033 28.524 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 2.894 5.091 11.144 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 2.958 4.297 11.675 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 3.547 4.972 10.455 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 4.043 3.063 13.450 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 3.584 2.579 14.136 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 4.298 2.395 12.814 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -2.771 12.026 17.274 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -3.418 11.564 16.741 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -2.416 11.354 17.857 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -1.821 3.182 21.530 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -1.637 3.100 20.595 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -0.972 3.058 21.954 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -1.002 -3.235 20.562 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -0.557 -4.027 20.864 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -0.536 -2.519 20.993 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -2.698 -0.236 21.631 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -2.206 -0.457 20.841 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -2.336 0.605 21.912 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -0.229 7.935 28.174 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -1.050 8.110 27.714 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -0.481 7.862 29.095 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 0.127 12.166 24.480 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -0.593 12.606 24.029 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -0.239 11.915 25.329 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 2.594 11.766 23.510 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 1.729 11.838 23.914 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 2.539 12.313 22.726 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -0.458 10.789 21.391 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -0.477 10.364 22.248 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 0.347 10.471 20.982 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 1.683 9.499 20.046 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 1.464 8.583 20.215 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 2.507 9.639 20.512 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 0.055 -5.733 17.861 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -0.722 -5.967 17.353 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 0.586 -6.530 17.869 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -1.207 10.013 14.562 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -1.892 9.975 13.894 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -1.204 10.926 14.850 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 0.753 -4.019 12.107 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 1.244 -4.649 11.579 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 1.376 -3.723 12.770 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 0.611 10.933 11.587 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 0.343 11.220 12.460 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 1.382 10.387 11.739 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -1.420 6.633 31.053 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -0.506 6.712 31.326 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -1.413 5.946 30.386 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 0.435 21.149 -14.881 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 0.477 20.523 -14.157 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 1.138 21.772 -14.699 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 4.153 25.531 -11.256 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 3.841 26.313 -10.800 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 3.503 25.378 -11.942 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 1.073 21.729 -12.027 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 1.143 22.380 -11.329 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 0.182 21.832 -12.362 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 2.392 27.603 -10.492 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 2.400 27.467 -11.440 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 1.476 27.485 -10.240 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -2.011 23.796 -13.202 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -2.512 23.768 -14.017 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -2.005 22.890 -12.892 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 0.238 25.119 -12.159 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 0.455 24.758 -11.299 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -0.617 24.745 -12.369 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 0.698 18.875 -13.201 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 0.660 19.275 -12.333 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 0.207 18.058 -13.111 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 0.817 23.584 -9.921 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 1.550 23.838 -9.360 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 0.037 23.788 -9.406 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -1.850 21.348 -12.000 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -1.627 20.930 -11.168 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -2.452 20.735 -12.422 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 5.167 20.865 -9.787 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 4.871 20.699 -10.682 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 6.098 20.645 -9.797 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -0.216 16.101 -12.442 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -1.109 16.440 -12.509 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -0.315 15.246 -12.024 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -0.565 27.906 -14.007 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -0.348 26.974 -14.038 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -0.318 28.180 -13.123 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 5.208 23.573 -9.267 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 4.880 23.844 -10.125 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 5.360 22.632 -9.355 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 3.332 19.812 -11.906 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 2.714 20.487 -11.625 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 3.676 20.133 -12.739 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 3.672 17.167 -10.823 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 3.822 16.438 -11.426 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 3.674 17.944 -11.382 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 6.154 17.315 -9.336 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 5.918 17.095 -8.434 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 5.371 17.108 -9.845 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 0.331 16.286 -9.207 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 0.542 15.579 -9.818 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 0.219 15.848 -8.363 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 5.465 13.970 -8.174 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 5.334 13.494 -8.995 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 4.866 14.714 -8.230 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -2.223 17.309 -10.041 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -1.304 17.187 -9.805 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -2.673 16.559 -9.652 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -0.229 26.791 -9.538 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -1.050 26.966 -9.998 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -0.481 26.718 -8.617 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 0.127 31.022 -13.232 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -0.593 31.462 -13.683 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -0.239 30.771 -12.383 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 0.013 13.637 -10.334 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -0.353 12.872 -9.891 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 0.926 13.666 -10.047 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 1.986 12.988 -8.798 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 2.885 12.714 -8.983 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 1.600 12.245 -8.334 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 0.435 21.149 3.975 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 0.477 20.523 4.699 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 1.138 21.772 4.157 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 1.359 25.599 2.510 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 0.989 24.797 2.141 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 2.300 25.430 2.557 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 2.752 16.462 0.388 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 2.795 17.322 -0.030 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 2.294 15.910 -0.245 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 4.528 20.409 0.366 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 5.144 19.883 0.875 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 3.942 19.769 -0.038 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 1.562 15.380 4.462 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 1.343 15.910 3.696 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 0.894 15.607 5.110 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 4.131 23.056 4.750 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 3.391 23.654 4.853 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 4.845 23.610 4.434 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 1.156 17.272 2.415 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 1.769 17.905 2.788 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 1.668 16.800 1.758 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 2.539 25.020 5.537 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 2.533 25.899 5.159 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 1.685 24.937 5.962 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 7.909 19.981 -6.546 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 8.610 20.003 -5.895 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 8.211 19.353 -7.202 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 2.906 22.363 -0.750 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 2.576 21.993 -1.569 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 3.494 21.693 -0.404 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 4.273 25.791 1.931 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 4.178 25.213 1.174 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 5.002 25.420 2.427 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 3.273 21.132 2.883 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 3.838 21.253 2.120 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 3.592 21.769 3.522 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 4.153 25.531 7.600 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 3.841 26.313 8.056 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 3.503 25.378 6.914 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 1.073 21.729 6.829 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 1.143 22.380 7.527 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 0.182 21.832 6.494 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 2.392 27.603 8.364 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 2.400 27.467 7.416 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 1.476 27.485 8.616 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 0.984 29.377 -1.317 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 1.136 29.029 -0.438 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 0.133 29.021 -1.572 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 2.857 13.589 2.693 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 1.996 13.502 2.285 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 2.835 14.445 3.120 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 7.182 15.804 -6.648 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 6.928 15.823 -5.725 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 6.925 14.932 -6.949 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 2.948 18.555 3.788 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 2.306 18.514 4.497 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 2.985 19.481 3.550 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 2.945 18.776 -1.300 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 2.052 18.435 -1.359 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 3.396 18.399 -2.056 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 0.698 18.875 5.655 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 0.660 19.275 6.523 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 0.207 18.058 5.745 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 4.064 16.249 -7.547 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 3.633 15.804 -6.817 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 3.346 16.621 -8.059 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 0.355 17.832 -1.387 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -0.534 17.932 -1.727 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 0.651 16.990 -1.733 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 4.008 17.832 -3.731 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 4.940 17.961 -3.553 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 3.793 18.502 -4.380 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 0.817 23.584 8.935 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 1.550 23.838 9.496 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 0.037 23.788 9.450 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 1.849 15.127 -1.909 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 1.532 14.225 -1.944 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 2.630 15.129 -2.461 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 6.017 23.592 -4.228 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 5.273 23.085 -4.551 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 5.883 23.641 -3.282 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 1.142 22.887 1.541 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 1.887 22.885 0.940 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 1.220 22.063 2.023 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 3.517 26.405 -1.054 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 4.044 27.178 -1.255 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 2.637 26.630 -1.356 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 4.944 24.068 -1.478 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 4.703 24.993 -1.436 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 4.204 23.609 -1.082 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 5.459 28.217 4.837 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 5.822 29.072 4.604 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 5.991 27.925 5.578 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 3.628 29.090 -1.933 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 2.678 29.195 -1.881 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 3.979 29.910 -1.588 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -0.216 16.101 6.414 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -1.109 16.440 6.347 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -0.315 15.246 6.832 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 5.297 26.357 -7.941 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 5.536 25.609 -8.489 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 5.028 25.969 -7.109 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 4.234 25.927 -5.485 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 4.381 25.407 -4.695 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 4.231 26.834 -5.179 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 6.503 17.222 -2.764 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 7.315 17.726 -2.718 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 6.258 17.077 -1.850 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 3.044 15.366 -5.138 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 2.961 16.255 -4.792 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 3.934 15.101 -4.907 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 1.303 25.794 -6.078 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 1.895 26.493 -5.802 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 1.762 25.361 -6.797 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 0.427 13.240 1.711 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 0.198 13.299 0.784 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -0.016 12.448 2.018 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 3.243 28.712 10.822 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 4.011 28.253 11.163 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 3.222 28.486 9.892 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -1.447 23.603 10.156 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -1.303 22.701 9.870 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -2.220 23.889 9.668 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 2.894 23.947 -7.712 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 2.958 23.153 -7.181 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 3.547 23.828 -8.401 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -0.615 20.803 9.576 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -0.207 19.946 9.455 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -0.875 20.818 10.497 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 4.043 21.919 -5.406 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 3.584 21.435 -4.720 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 4.298 21.251 -6.042 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 3.332 19.812 6.950 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 2.714 20.487 7.231 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 3.676 20.133 6.117 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 5.114 20.162 -7.143 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 4.934 20.008 -8.071 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 6.065 20.270 -7.099 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 2.150 18.365 9.944 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 1.383 17.833 9.734 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 2.829 18.055 9.345 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 0.331 16.286 9.649 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 0.542 15.579 9.038 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 0.219 15.848 10.493 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -1.420 25.489 -6.659 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -0.506 25.568 -6.386 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -1.413 24.802 -7.326 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -2.223 17.309 8.815 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -1.304 17.187 9.051 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -2.673 16.559 9.204 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -2.385 14.878 -3.170 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -3.310 15.087 -3.300 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -1.931 15.362 -3.860 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -2.421 13.616 5.174 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -3.086 13.370 5.817 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -2.864 14.238 4.597 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 7.305 30.510 3.830 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 6.848 31.039 3.176 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 7.468 31.113 4.555 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 4.220 28.825 2.038 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 4.433 27.937 1.751 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 4.285 28.791 2.993 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 0.055 13.123 -0.995 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -0.722 12.889 -1.503 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 0.586 12.326 -0.987 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -1.108 12.921 -5.192 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -0.669 13.532 -5.783 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -1.742 13.459 -4.718 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -1.207 28.869 -4.294 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -1.892 28.831 -4.962 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -1.204 29.782 -4.006 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 0.753 14.837 -6.749 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 1.244 14.207 -7.277 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 1.376 15.133 -6.086 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 5.779 15.130 -4.292 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 5.957 14.484 -3.609 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 5.725 15.964 -3.825 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 0.611 29.789 -7.269 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 0.343 30.076 -6.396 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 1.382 29.243 -7.117 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 1.562 15.380 23.318 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 1.343 15.910 22.552 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 0.894 15.607 23.966 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -1.340 24.691 15.175 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -1.612 24.920 14.286 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -1.295 25.529 15.635 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 0.984 29.377 17.539 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 1.136 29.029 18.418 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 0.133 29.021 17.284 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -2.694 15.991 18.361 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -2.063 15.962 19.081 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -2.244 15.566 17.631 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -0.728 21.267 12.389 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -0.112 21.894 12.768 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -1.590 21.583 12.660 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -0.216 16.101 25.270 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -1.109 16.440 25.203 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -0.315 15.246 25.688 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 1.303 25.794 12.778 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 1.895 26.493 13.054 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 1.762 25.361 12.059 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -0.381 18.458 11.894 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -0.426 19.397 12.073 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -1.269 18.222 11.624 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 0.427 13.240 20.567 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 0.198 13.299 19.640 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -0.016 12.448 20.874 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -0.643 27.180 16.728 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -1.475 27.653 16.755 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -0.097 27.690 16.129 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 2.894 23.947 11.144 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 2.958 23.153 11.675 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 3.547 23.828 10.455 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 0.331 16.286 28.505 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 0.542 15.579 27.894 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 0.219 15.848 29.349 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 5.012 30.853 12.714 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 5.945 31.011 12.858 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 4.748 31.528 12.089 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -1.420 25.489 12.197 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -0.506 25.568 12.470 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -1.413 24.802 11.530 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -2.771 30.882 17.274 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -3.418 30.420 16.741 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -2.416 30.210 17.857 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -2.223 17.309 27.671 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -1.304 17.187 27.907 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -2.673 16.559 28.060 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -1.002 15.621 20.562 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -0.557 14.829 20.864 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -0.536 16.337 20.993 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -2.698 18.620 21.631 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -2.206 18.399 20.841 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -2.336 19.461 21.912 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -2.385 14.878 15.686 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -3.310 15.087 15.556 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -1.931 15.362 14.996 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 0.055 13.123 17.861 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -0.722 12.889 17.353 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 0.586 12.326 17.869 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -1.108 12.921 13.664 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -0.669 13.532 13.073 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -1.742 13.459 14.138 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -1.207 28.869 14.562 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -1.892 28.831 13.894 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -1.204 29.782 14.850 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 0.013 13.637 27.378 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -0.353 12.872 27.821 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 0.926 13.666 27.665 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 0.611 29.789 11.587 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 0.343 30.076 12.460 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 1.382 29.243 11.739 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -0.216 34.957 -12.442 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -1.109 35.296 -12.509 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -0.315 34.102 -12.024 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -1.447 42.459 -8.700 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -1.303 41.557 -8.986 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -2.220 42.745 -9.188 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -0.615 39.659 -9.280 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -0.207 38.802 -9.401 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -0.875 39.674 -8.359 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 0.331 35.142 -9.207 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 0.542 34.435 -9.818 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 0.219 34.704 -8.363 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -2.223 36.165 -10.041 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -1.304 36.043 -9.805 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -2.673 35.415 -9.652 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -2.421 32.472 -13.682 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -3.086 32.226 -13.039 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -2.864 33.094 -14.259 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 0.013 32.493 -10.334 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 -0.353 31.728 -9.891 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 0.926 32.522 -10.047 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 1.986 31.844 -8.798 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 2.885 31.570 -8.983 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 1.600 31.101 -8.334 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 0.435 40.005 3.975 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 0.477 39.379 4.699 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 1.138 40.628 4.157 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 1.359 44.455 2.510 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 0.989 43.653 2.141 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 2.300 44.286 2.557 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 4.528 39.265 0.366 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 5.144 38.739 0.875 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 3.942 38.625 -0.038 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 4.131 41.912 4.750 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 3.391 42.510 4.853 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 4.845 42.466 4.434 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 2.539 43.876 5.537 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 2.533 44.755 5.159 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 1.685 43.793 5.962 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 5.588 31.542 1.915 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 5.471 30.593 1.861 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 4.733 31.874 2.188 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 2.906 41.219 -0.750 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 2.576 40.849 -1.569 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 3.494 40.549 -0.404 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 4.273 44.647 1.931 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 4.178 44.069 1.174 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 5.002 44.276 2.427 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 3.273 39.988 2.883 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 3.838 40.109 2.120 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 3.592 40.625 3.522 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 1.073 40.585 6.829 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 1.143 41.236 7.527 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 0.182 40.688 6.494 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 1.896 40.289 -3.161 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 1.604 41.057 -3.652 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 1.222 39.629 -3.324 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -2.011 42.652 5.654 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -2.512 42.624 4.839 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -2.005 41.746 5.964 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -2.260 45.432 2.538 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -1.314 45.288 2.519 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -2.373 46.216 3.075 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 0.984 48.233 -1.317 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 1.136 47.885 -0.438 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 0.133 47.877 -1.572 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 0.238 43.975 6.697 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 0.455 43.614 7.557 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -0.617 43.601 6.487 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 7.520 32.167 6.067 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 7.940 31.752 6.820 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 6.587 31.989 6.184 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 2.945 37.632 -1.300 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 2.052 37.291 -1.359 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 3.396 37.255 -2.056 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 5.527 35.059 -0.214 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 4.616 35.116 0.075 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 6.032 34.999 0.597 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 0.355 36.688 -1.387 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -0.534 36.788 -1.727 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 0.651 35.846 -1.733 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 4.008 36.688 -3.731 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 4.940 36.817 -3.553 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 3.793 37.358 -4.380 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 2.682 37.883 -6.164 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 2.140 37.503 -6.855 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 3.516 38.077 -6.593 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 6.847 37.847 1.673 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 7.411 37.300 1.126 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 6.699 37.325 2.462 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 1.849 33.983 -1.909 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 1.532 33.081 -1.944 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 2.630 33.985 -2.461 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 5.473 36.235 4.087 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 4.638 36.689 4.197 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 5.997 36.511 4.839 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -1.850 40.204 6.856 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -1.627 39.786 7.688 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -2.452 39.591 6.434 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 5.167 39.721 9.069 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 4.871 39.555 8.174 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 6.098 39.501 9.059 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 3.517 45.261 -1.054 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 4.044 46.034 -1.255 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 2.637 45.486 -1.356 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -0.728 40.123 -6.467 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -0.112 40.750 -6.088 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -1.590 40.439 -6.196 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 4.944 42.924 -1.478 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 4.703 43.849 -1.436 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 4.204 42.465 -1.082 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -0.565 46.762 4.849 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 -0.348 45.830 4.818 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -0.318 47.036 5.733 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 0.687 42.036 -4.975 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 0.001 42.388 -4.408 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 1.210 42.799 -5.221 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 6.503 36.078 -2.764 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 7.315 36.582 -2.718 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 6.258 35.933 -1.850 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 7.039 37.064 6.421 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 7.158 37.638 7.178 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 7.694 36.376 6.536 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 3.044 34.222 -5.138 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 2.961 35.111 -4.792 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 3.934 33.957 -4.907 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 1.303 44.650 -6.078 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 1.895 45.349 -5.802 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 1.762 44.217 -6.797 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 -0.381 37.314 -6.962 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 -0.426 38.253 -6.783 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 -1.269 37.078 -7.232 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 -0.643 46.036 -2.128 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 -1.475 46.509 -2.101 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 -0.097 46.546 -2.727 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 -1.447 42.459 10.156 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 -1.303 41.557 9.870 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 -2.220 42.745 9.668 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 -0.615 39.659 9.576 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 -0.207 38.802 9.455 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 -0.875 39.674 10.497 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 3.332 38.668 6.950 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 2.714 39.343 7.231 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 3.676 38.989 6.117 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 3.672 36.023 8.033 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 3.822 35.294 7.430 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 3.674 36.800 7.474 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 5.666 39.832 5.765 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 6.417 39.676 5.192 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 5.327 40.684 5.489 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 2.150 37.221 9.944 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 1.383 36.689 9.734 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 2.829 36.911 9.345 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 4.890 31.849 5.957 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 4.792 32.796 5.851 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 4.147 31.477 5.481 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 6.154 36.171 9.520 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 5.918 35.951 10.422 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 5.371 35.964 9.011 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 5.112 31.143 8.628 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 5.824 30.503 8.614 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 5.011 31.410 7.714 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 5.465 32.826 10.682 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 5.334 32.350 9.861 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 4.866 33.570 10.626 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -1.420 44.345 -6.659 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 -0.506 44.424 -6.386 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 -1.413 43.658 -7.326 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 -2.771 49.738 -1.582 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 -3.418 49.276 -2.115 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 -2.416 49.066 -0.999 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -1.901 47.819 0.223 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -2.235 46.938 0.395 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -1.679 48.164 1.087 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 -0.458 48.501 2.535 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 -0.477 48.076 3.392 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 0.347 48.183 2.126 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 1.683 47.211 1.190 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 1.464 46.295 1.359 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 2.507 47.351 1.656 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 7.729 33.345 1.183 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 7.054 32.716 1.438 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 8.293 32.861 0.580 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 -1.108 31.777 -5.192 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 -0.669 32.388 -5.783 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 -1.742 32.315 -4.718 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 4.635 31.906 -1.182 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 5.509 32.294 -1.212 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 4.499 31.691 -0.259 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 -1.207 47.725 -4.294 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 -1.892 47.687 -4.962 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 -1.204 48.638 -4.006 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 0.753 33.693 -6.749 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 1.244 33.063 -7.277 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 1.376 33.989 -6.086 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 1.986 31.844 10.058 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 2.885 31.570 9.873 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 1.600 31.101 10.522 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 -2.031 38.115 16.759 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 -2.479 38.961 16.741 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 -2.592 37.535 16.244 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 4.064 35.105 11.309 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 3.633 34.660 12.039 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 3.346 35.477 10.797 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -2.694 34.847 18.361 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -2.063 34.818 19.081 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -2.244 34.422 17.631 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 0.355 36.688 17.469 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 -0.534 36.788 17.129 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 0.651 35.846 17.123 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 2.682 37.883 12.692 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 2.140 37.503 12.001 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 3.516 38.077 12.263 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 1.849 33.983 16.947 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 1.532 33.081 16.912 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 2.630 33.985 16.395 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 -0.728 40.123 12.389 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 -0.112 40.750 12.768 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 -1.590 40.439 12.660 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 3.044 34.222 13.718 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 2.961 35.111 14.064 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 3.934 33.957 13.949 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -0.381 37.314 11.894 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -0.426 38.253 12.073 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -1.269 37.078 11.624 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 0.055 31.979 17.861 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 -0.722 31.745 17.353 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 0.586 31.182 17.869 0.00 0.00 WAT1 END